diff --git a/integration_tests/2pc_test.go b/integration_tests/2pc_test.go
index 178dcefd0..96e402f3c 100644
--- a/integration_tests/2pc_test.go
+++ b/integration_tests/2pc_test.go
@@ -39,6 +39,7 @@ package tikv_test
 import (
 	"bytes"
 	"context"
+	stderrs "errors"
 	"fmt"
 	"math"
 	"math/rand"
@@ -310,7 +311,7 @@ func (s *testCommitterSuite) TestContextCancel2() {
 	cancel()
 	// Secondary keys should not be canceled.
 	s.Eventually(func() bool {
-		return !s.isKeyLocked([]byte("b"))
+		return !s.isKeyOptimisticLocked([]byte("b"))
 	}, 2*time.Second, 20*time.Millisecond, "Secondary locks are not committed after 2 seconds")
 }
 
@@ -370,7 +371,7 @@ func (s *testCommitterSuite) mustGetRegionID(key []byte) uint64 {
 	return loc.Region.GetID()
 }
 
-func (s *testCommitterSuite) isKeyLocked(key []byte) bool {
+func (s *testCommitterSuite) isKeyOptimisticLocked(key []byte) bool {
 	ver, err := s.store.CurrentTimestamp(oracle.GlobalTxnScope)
 	s.Nil(err)
 	bo := tikv.NewBackofferWithVars(context.Background(), 500, nil)
@@ -387,6 +388,34 @@ func (s *testCommitterSuite) isKeyLocked(key []byte) bool {
 	return keyErr.GetLocked() != nil
 }
 
+func (s *testCommitterSuite) checkIsKeyLocked(key []byte, expectedLocked bool) {
+	// To be aware of the result of async operations (e.g. async pessimistic rollback), retry if the check fails.
+	for i := 0; i < 5; i++ {
+		txn := s.begin()
+		txn.SetPessimistic(true)
+
+		lockCtx := kv.NewLockCtx(txn.StartTS(), kv.LockNoWait, time.Now())
+		err := txn.LockKeys(context.Background(), lockCtx, key)
+
+		var isCheckSuccess bool
+		if err != nil && stderrs.Is(err, tikverr.ErrLockAcquireFailAndNoWaitSet) {
+			isCheckSuccess = expectedLocked
+		} else {
+			s.Nil(err)
+			isCheckSuccess = !expectedLocked
+		}
+
+		if isCheckSuccess {
+			s.Nil(txn.Rollback())
+			return
+		}
+
+		s.Nil(txn.Rollback())
+		time.Sleep(time.Millisecond * 50)
+	}
+	s.Fail(fmt.Sprintf("expected key %q locked = %v, but the actual result not match", string(key), expectedLocked))
+}
+
 func (s *testCommitterSuite) TestPrewriteCancel() {
 	// Setup region delays for key "b" and "c".
 	delays := map[uint64]time.Duration{
@@ -416,7 +445,7 @@ func (s *testCommitterSuite) TestPrewriteCancel() {
 	s.NotNil(err)
 	// "c" should be cleaned up in reasonable time.
 	s.Eventually(func() bool {
-		return !s.isKeyLocked([]byte("c"))
+		return !s.isKeyOptimisticLocked([]byte("c"))
 	}, 500*time.Millisecond, 10*time.Millisecond)
 }
 
@@ -1112,6 +1141,318 @@ func (s *testCommitterSuite) TestPessimisticLockAllowLockWithConflictError() {
 	}
 }
 
+func (s *testCommitterSuite) TestAggressiveLocking() {
+	for _, finalIsDone := range []bool{false, true} {
+		txn := s.begin()
+		txn.SetPessimistic(true)
+		s.False(txn.IsInAggressiveLockingMode())
+
+		// Lock some keys in normal way.
+		lockCtx := &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1"), []byte("k2")))
+		s.checkIsKeyLocked([]byte("k1"), true)
+		s.checkIsKeyLocked([]byte("k2"), true)
+
+		// Enter aggressive locking mode and lock some keys.
+		txn.StartAggressiveLocking()
+		lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		for _, key := range []string{"k2", "k3", "k4"} {
+			s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte(key)))
+			s.checkIsKeyLocked([]byte(key), true)
+		}
+		s.True(!txn.IsInAggressiveLockingStage([]byte("k2")))
+		s.True(txn.IsInAggressiveLockingStage([]byte("k3")))
+		s.True(txn.IsInAggressiveLockingStage([]byte("k4")))
+
+		// Retry and change some of the keys to be locked.
+		txn.RetryAggressiveLocking(context.Background())
+		s.checkIsKeyLocked([]byte("k1"), true)
+		s.checkIsKeyLocked([]byte("k2"), true)
+		s.checkIsKeyLocked([]byte("k3"), true)
+		s.checkIsKeyLocked([]byte("k4"), true)
+		lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k4")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k5")))
+		s.checkIsKeyLocked([]byte("k4"), true)
+		s.checkIsKeyLocked([]byte("k5"), true)
+
+		// Retry again, then the unnecessary locks acquired in the previous stage should be released.
+		txn.RetryAggressiveLocking(context.Background())
+		s.checkIsKeyLocked([]byte("k1"), true)
+		s.checkIsKeyLocked([]byte("k2"), true)
+		s.checkIsKeyLocked([]byte("k3"), false)
+		s.checkIsKeyLocked([]byte("k4"), true)
+		s.checkIsKeyLocked([]byte("k5"), true)
+
+		// Lock some different keys again and then done or cancel.
+		lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k5")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k6")))
+
+		if finalIsDone {
+			txn.DoneAggressiveLocking(context.Background())
+			time.Sleep(time.Millisecond * 50)
+			s.checkIsKeyLocked([]byte("k1"), true)
+			s.checkIsKeyLocked([]byte("k2"), true)
+			s.checkIsKeyLocked([]byte("k3"), false)
+			s.checkIsKeyLocked([]byte("k4"), false)
+			s.checkIsKeyLocked([]byte("k5"), true)
+			s.checkIsKeyLocked([]byte("k6"), true)
+		} else {
+			txn.CancelAggressiveLocking(context.Background())
+			time.Sleep(time.Millisecond * 50)
+			s.checkIsKeyLocked([]byte("k1"), true)
+			s.checkIsKeyLocked([]byte("k2"), true)
+			s.checkIsKeyLocked([]byte("k3"), false)
+			s.checkIsKeyLocked([]byte("k4"), false)
+			s.checkIsKeyLocked([]byte("k5"), false)
+			s.checkIsKeyLocked([]byte("k6"), false)
+		}
+
+		s.NoError(txn.Rollback())
+	}
+}
+
+func (s *testCommitterSuite) TestAggressiveLockingInsert() {
+	txn0 := s.begin()
+	s.NoError(txn0.Set([]byte("k1"), []byte("v1")))
+	s.NoError(txn0.Set([]byte("k3"), []byte("v3")))
+	s.NoError(txn0.Set([]byte("k6"), []byte("v6")))
+	s.NoError(txn0.Set([]byte("k8"), []byte("v8")))
+	s.NoError(txn0.Commit(context.Background()))
+
+	txn := s.begin()
+	txn.SetPessimistic(true)
+
+	lockCtx := &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+	lockCtx.InitReturnValues(2)
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1"), []byte("k2")))
+	s.NoError(txn.Set([]byte("k5"), []byte("v5")))
+	s.NoError(txn.Delete([]byte("k6")))
+
+	insertPessimisticLock := func(lockCtx *kv.LockCtx, key string) error {
+		txn.GetMemBuffer().UpdateFlags([]byte(key), kv.SetPresumeKeyNotExists)
+		if lockCtx == nil {
+			lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		}
+		return txn.LockKeys(context.Background(), lockCtx, []byte(key))
+	}
+
+	mustAlreadyExist := func(err error) {
+		if _, ok := errors.Cause(err).(*tikverr.ErrKeyExist); !ok {
+			s.Fail(fmt.Sprintf("expected KeyExist error, but got: %+q", err))
+		}
+	}
+
+	txn.StartAggressiveLocking()
+	// Already-locked before aggressive locking.
+	mustAlreadyExist(insertPessimisticLock(nil, "k1"))
+	s.NoError(insertPessimisticLock(nil, "k2"))
+	// Acquiring new locks normally.
+	mustAlreadyExist(insertPessimisticLock(nil, "k3"))
+	s.NoError(insertPessimisticLock(nil, "k4"))
+	// The key added or deleted in the same transaction before entering aggressive locking.
+	// Since TiDB can detect it before invoking LockKeys, client-go actually didn't handle this case for now (no matter
+	// if in aggressive locking or not). So skip this test case here, and it can be uncommented if someday client-go
+	// supports such check.
+	// mustAlreadyExist(insertPessimisticLock(nil, "k5"))
+	// s.NoError(insertPessimisticLock(nil, "k6"))
+
+	// Locked with conflict and then do pessimistic retry.
+	txn2 := s.begin()
+	s.NoError(txn2.Set([]byte("k7"), []byte("v7")))
+	s.NoError(txn2.Delete([]byte("k8")))
+	s.NoError(txn2.Commit(context.Background()))
+	lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+	err := insertPessimisticLock(lockCtx, "k7")
+	s.IsType(errors.Cause(err), &tikverr.ErrWriteConflict{})
+	lockCtx = &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+	s.NoError(insertPessimisticLock(lockCtx, "k8"))
+	s.Equal(txn2.GetCommitTS(), lockCtx.MaxLockedWithConflictTS)
+	s.Equal(txn2.GetCommitTS(), lockCtx.Values["k8"].LockedWithConflictTS)
+	// Update forUpdateTS to simulate a pessimistic retry.
+	newForUpdateTS, err := s.store.CurrentTimestamp(oracle.GlobalTxnScope)
+	s.Nil(err)
+	s.GreaterOrEqual(newForUpdateTS, txn2.GetCommitTS())
+	lockCtx = &kv.LockCtx{ForUpdateTS: newForUpdateTS, WaitStartTime: time.Now()}
+	mustAlreadyExist(insertPessimisticLock(lockCtx, "k7"))
+	s.NoError(insertPessimisticLock(lockCtx, "k8"))
+
+	txn.CancelAggressiveLocking(context.Background())
+	s.NoError(txn.Rollback())
+}
+
+func (s *testCommitterSuite) TestAggressiveLockingSwitchPrimary() {
+	txn := s.begin()
+	txn.SetPessimistic(true)
+	checkPrimary := func(key string, expectedPrimary string) {
+		lockInfo := s.getLockInfo([]byte(key))
+		s.Equal(kvrpcpb.Op_PessimisticLock, lockInfo.LockType)
+		s.Equal(expectedPrimary, string(lockInfo.PrimaryLock))
+	}
+
+	forUpdateTS := txn.StartTS()
+	txn.StartAggressiveLocking()
+	lockCtx := &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+	checkPrimary("k1", "k1")
+	checkPrimary("k2", "k1")
+
+	// Primary not changed.
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k3")))
+	checkPrimary("k1", "k1")
+	checkPrimary("k3", "k1")
+
+	// Primary changed and is not in the set of previously locked keys.
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k4")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k5")))
+	checkPrimary("k4", "k4")
+	checkPrimary("k5", "k4")
+	// Previously locked keys that are not in the most recent aggressive locking stage will be released.
+	s.checkIsKeyLocked([]byte("k2"), false)
+
+	// Primary changed and is in the set of previously locked keys.
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k5")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k6")))
+	checkPrimary("k5", "k5")
+	checkPrimary("k6", "k5")
+	s.checkIsKeyLocked([]byte("k1"), false)
+	s.checkIsKeyLocked([]byte("k3"), false)
+
+	// Primary changed and is locked *before* the previous aggressive locking stage (suppose it's the n-th retry,
+	// the expected primary is locked during the (n-2)-th retry).
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k7")))
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k6")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k5")))
+	checkPrimary("k5", "k6")
+	checkPrimary("k6", "k6")
+
+	txn.CancelAggressiveLocking(context.Background())
+	// Check all released.
+	for i := 0; i < 6; i++ {
+		key := []byte{byte('k'), byte('1') + byte(i)}
+		s.checkIsKeyLocked(key, false)
+	}
+	s.NoError(txn.Rollback())
+
+	// Also test the primary-switching logic won't misbehave when the primary is already selected before entering
+	// aggressive locking.
+	txn = s.begin()
+	txn.SetPessimistic(true)
+	forUpdateTS = txn.StartTS()
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1"), []byte("k2")))
+	checkPrimary("k1", "k1")
+	checkPrimary("k2", "k1")
+
+	txn.StartAggressiveLocking()
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k3")))
+	checkPrimary("k2", "k1")
+	checkPrimary("k3", "k1")
+
+	forUpdateTS++
+	txn.RetryAggressiveLocking(context.Background())
+	lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k3")))
+	s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k4")))
+	checkPrimary("k3", "k1")
+	checkPrimary("k4", "k1")
+
+	txn.CancelAggressiveLocking(context.Background())
+	s.checkIsKeyLocked([]byte("k1"), true)
+	s.checkIsKeyLocked([]byte("k2"), true)
+	s.checkIsKeyLocked([]byte("k3"), false)
+	s.checkIsKeyLocked([]byte("k4"), false)
+	s.NoError(txn.Rollback())
+	s.checkIsKeyLocked([]byte("k1"), false)
+	s.checkIsKeyLocked([]byte("k2"), false)
+
+}
+
+func (s *testCommitterSuite) TestAggressiveLockingLoadValueOptionChanges() {
+	txn0 := s.begin()
+	s.NoError(txn0.Set([]byte("k2"), []byte("v2")))
+	s.NoError(txn0.Commit(context.Background()))
+
+	for _, firstAttemptLockedWithConflict := range []bool{false, true} {
+		txn := s.begin()
+		txn.SetPessimistic(true)
+
+		// Make the primary deterministic to avoid the following test code involves primary re-selecting logic.
+		lockCtx := &kv.LockCtx{ForUpdateTS: txn.StartTS(), WaitStartTime: time.Now()}
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k0")))
+
+		forUpdateTS := txn.StartTS()
+		txn.StartAggressiveLocking()
+		lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+
+		var txn2 transaction.TxnProbe
+		if firstAttemptLockedWithConflict {
+			txn2 = s.begin()
+			s.NoError(txn2.Delete([]byte("k1")))
+			s.NoError(txn2.Set([]byte("k2"), []byte("v2")))
+			s.NoError(txn2.Commit(context.Background()))
+		}
+
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+
+		if firstAttemptLockedWithConflict {
+			s.Equal(txn2.GetCommitTS(), lockCtx.MaxLockedWithConflictTS)
+			s.Equal(txn2.GetCommitTS(), lockCtx.Values["k1"].LockedWithConflictTS)
+			s.Equal(txn2.GetCommitTS(), lockCtx.Values["k2"].LockedWithConflictTS)
+		}
+
+		if firstAttemptLockedWithConflict {
+			forUpdateTS = txn2.GetCommitTS() + 1
+		} else {
+			forUpdateTS++
+		}
+		lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+		lockCtx.InitCheckExistence(2)
+		txn.RetryAggressiveLocking(context.Background())
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+		s.Equal(uint64(0), lockCtx.MaxLockedWithConflictTS)
+		s.Equal(false, lockCtx.Values["k1"].Exists)
+		s.Equal(true, lockCtx.Values["k2"].Exists)
+
+		forUpdateTS++
+		lockCtx = &kv.LockCtx{ForUpdateTS: forUpdateTS, WaitStartTime: time.Now()}
+		lockCtx.InitReturnValues(2)
+		txn.RetryAggressiveLocking(context.Background())
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k1")))
+		s.NoError(txn.LockKeys(context.Background(), lockCtx, []byte("k2")))
+		s.Equal(uint64(0), lockCtx.MaxLockedWithConflictTS)
+		s.Equal(false, lockCtx.Values["k1"].Exists)
+		s.Equal(true, lockCtx.Values["k2"].Exists)
+		s.Equal([]byte("v2"), lockCtx.Values["k2"].Value)
+
+		txn.CancelAggressiveLocking(context.Background())
+		s.NoError(txn.Rollback())
+	}
+}
+
 // TestElapsedTTL tests that elapsed time is correct even if ts physical time is greater than local time.
 func (s *testCommitterSuite) TestElapsedTTL() {
 	key := []byte("key")
diff --git a/internal/mockstore/mocktikv/errors.go b/internal/mockstore/mocktikv/errors.go
index 0b290b66e..8fb674867 100644
--- a/internal/mockstore/mocktikv/errors.go
+++ b/internal/mockstore/mocktikv/errors.go
@@ -107,6 +107,7 @@ type ErrConflict struct {
 	ConflictTS       uint64
 	ConflictCommitTS uint64
 	Key              []byte
+	CanForceLock     bool
 }
 
 func (e *ErrConflict) Error() string {
diff --git a/internal/mockstore/mocktikv/mvcc_leveldb.go b/internal/mockstore/mocktikv/mvcc_leveldb.go
index 82ea4a0d6..6891809b1 100644
--- a/internal/mockstore/mocktikv/mvcc_leveldb.go
+++ b/internal/mockstore/mocktikv/mvcc_leveldb.go
@@ -650,12 +650,13 @@ func (mvcc *MVCCLevelDB) pessimisticLockMutation(batch *leveldb.Batch, mutation
 	dec := lockDecoder{
 		expectKey: mutation.Key,
 	}
-	ok, err := dec.Decode(iter)
+	alreadyLocked, err := dec.Decode(iter)
 	if err != nil {
 		return err
 	}
-	if ok {
+	if alreadyLocked {
 		if dec.lock.startTS != startTS {
+			// Locked by another transaction.
 			errDeadlock := mvcc.deadlockDetector.Detect(startTS, dec.lock.startTS, farm.Fingerprint64(mutation.Key))
 			if errDeadlock != nil {
 				return &ErrDeadlock{
@@ -666,14 +667,15 @@ func (mvcc *MVCCLevelDB) pessimisticLockMutation(batch *leveldb.Batch, mutation
 			}
 			return dec.lock.lockErr(mutation.Key)
 		}
-		return nil
 	}
 
-	// For pessimisticLockMutation, check the correspond rollback record, there may be rollbackLock
+	// For pessimisticLockMutation, check the corresponding rollback record, there may be rollbackLock
 	// operation between startTS and forUpdateTS
+	// It's also possible that the key is already locked by the same transaction. Also do the conflict check to
+	// provide an idempotent result.
 	val, err := checkConflictValue(iter, mutation, forUpdateTS, startTS, true, kvrpcpb.AssertionLevel_Off, lctx.WakeUpMode == kvrpcpb.PessimisticLockWakeUpMode_WakeUpModeForceLock)
 	if err != nil {
-		if conflict, ok := err.(*ErrConflict); lctx.WakeUpMode == kvrpcpb.PessimisticLockWakeUpMode_WakeUpModeForceLock && ok {
+		if conflict, ok := err.(*ErrConflict); lctx.WakeUpMode == kvrpcpb.PessimisticLockWakeUpMode_WakeUpModeForceLock && ok && conflict.CanForceLock {
 			lctx.results = append(lctx.results, &kvrpcpb.PessimisticLockKeyResult{
 				Type:                 kvrpcpb.PessimisticLockKeyResultType_LockResultLockedWithConflict,
 				Value:                val,
@@ -709,21 +711,23 @@ func (mvcc *MVCCLevelDB) pessimisticLockMutation(batch *leveldb.Batch, mutation
 		return nil
 	}
 
-	lock := mvccLock{
-		startTS:     startTS,
-		primary:     lctx.primary,
-		op:          kvrpcpb.Op_PessimisticLock,
-		ttl:         lctx.ttl,
-		forUpdateTS: forUpdateTS,
-		minCommitTS: lctx.minCommitTs,
-	}
-	writeKey := mvccEncode(mutation.Key, lockVer)
-	writeValue, err := lock.MarshalBinary()
-	if err != nil {
-		return err
+	if !alreadyLocked || dec.lock.forUpdateTS < forUpdateTS {
+		lock := mvccLock{
+			startTS:     startTS,
+			primary:     lctx.primary,
+			op:          kvrpcpb.Op_PessimisticLock,
+			ttl:         lctx.ttl,
+			forUpdateTS: forUpdateTS,
+			minCommitTS: lctx.minCommitTs,
+		}
+		writeKey := mvccEncode(mutation.Key, lockVer)
+		writeValue, err := lock.MarshalBinary()
+		if err != nil {
+			return err
+		}
+		batch.Put(writeKey, writeValue)
 	}
 
-	batch.Put(writeKey, writeValue)
 	return nil
 }
 
@@ -899,12 +903,11 @@ func checkConflictValue(iter *Iterator, m *kvrpcpb.Mutation, forUpdateTS uint64,
 
 		if dec.value.valueType == typePut || dec.value.valueType == typeLock {
 			if needCheckShouldNotExistForPessimisticLock {
-				return nil, &ErrAssertionFailed{
-					StartTS:          startTS,
-					Key:              m.Key,
-					Assertion:        m.Assertion,
-					ExistingStartTS:  dec.value.startTS,
-					ExistingCommitTS: dec.value.commitTS,
+				if writeConflictErr != nil {
+					return nil, writeConflictErr
+				}
+				return nil, &ErrKeyAlreadyExist{
+					Key: m.Key,
 				}
 			}
 			if needCheckAssertionForPrewerite && m.Assertion == kvrpcpb.Assertion_NotExist {
@@ -947,6 +950,9 @@ func checkConflictValue(iter *Iterator, m *kvrpcpb.Mutation, forUpdateTS uint64,
 	}
 
 	// writeConflictErr is not nil only when write conflict is found and `allowLockWithConflict is set to true.
+	if writeConflictErr != nil {
+		writeConflictErr.(*ErrConflict).CanForceLock = true
+	}
 	if getVal {
 		return retVal, writeConflictErr
 	}
diff --git a/txnkv/transaction/txn.go b/txnkv/transaction/txn.go
index a8bb345db..3237ddbca 100644
--- a/txnkv/transaction/txn.go
+++ b/txnkv/transaction/txn.go
@@ -818,7 +818,9 @@ func (txn *KVTxn) filterAggressiveLockedKeys(lockCtx *tikv.LockCtx, allKeys [][]
 				!txn.mayAggressiveLockingLastLockedKeysExpire() {
 				// We can skip locking it since it's already locked during last attempt to aggressive locking, and
 				// we already have the information that we need.
-				lockCtx.Values[keyStr] = lastResult.Value
+				if lockCtx.Values != nil {
+					lockCtx.Values[keyStr] = lastResult.Value
+				}
 				txn.aggressiveLockingContext.currentLockedKeys[keyStr] = lastResult
 				continue
 			}
@@ -886,16 +888,24 @@ func (txn *KVTxn) LockKeys(ctx context.Context, lockCtx *tikv.LockCtx, keysInput
 			checkKeyExists = flags.HasNeedCheckExists()
 		}
 		// If the key is locked in the current aggressive locking stage, override the information in memBuf.
+		isInLastAggressiveLockingStage := false
 		if txn.aggressiveLockingContext != nil {
 			if entry, ok := txn.aggressiveLockingContext.currentLockedKeys[string(key)]; ok {
 				locked = true
 				valueExist = entry.Value.Exists
+			} else if entry, ok := txn.aggressiveLockingContext.lastRetryUnnecessaryLocks[string(key)]; ok {
+				locked = true
+				valueExist = entry.Value.Exists
+				isInLastAggressiveLockingStage = true
 			}
 		}
 
-		if !locked {
+		if !locked || isInLastAggressiveLockingStage {
+			// Locks acquired in the previous aggressive locking stage might need to be updated later in
+			// `filterAggressiveLockedKeys`.
 			keys = append(keys, key)
-		} else if txn.IsPessimistic() {
+		}
+		if locked && txn.IsPessimistic() {
 			if checkKeyExists && valueExist {
 				alreadyExist := kvrpcpb.AlreadyExist{Key: key}
 				e := &tikverr.ErrKeyExist{AlreadyExist: &alreadyExist}