eF-site ID 6o0l-A
PDB Code 6o0l
Chain A

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Title crystal structure of BCL-2 G101V mutation with venetoclax
Classification APOPTOSIS
Compound Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2
Source (BCL2_HUMAN)
Sequence A:  YDNREIVMKYIHYKLSQRGYEWDAGSEVVHLTLRQAVDDF
SRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNW
GRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRH
LHTWIQDNGGWDAFVELYG
Description (1)  Apoptosis regulator Bcl-2


Functional site

1) chain A
residue 12
type
ligand
sequence R
description binding site for residue LBM A 301
source : AC1

2) chain A
residue 100
type
ligand
sequence A
description binding site for residue LBM A 301
source : AC1

3) chain A
residue 103
type
ligand
sequence D
description binding site for residue LBM A 301
source : AC1

4) chain A
residue 107
type
ligand
sequence R
description binding site for residue LBM A 301
source : AC1

5) chain A
residue 108
type
ligand
sequence Y
description binding site for residue LBM A 301
source : AC1

6) chain A
residue 137
type
ligand
sequence L
description binding site for residue LBM A 301
source : AC1

7) chain A
residue 144
type
ligand
sequence W
description binding site for residue LBM A 301
source : AC1

8) chain A
residue 145
type
ligand
sequence G
description binding site for residue LBM A 301
source : AC1

9) chain A
residue 148
type
ligand
sequence V
description binding site for residue LBM A 301
source : AC1

10) chain A
residue 149
type
ligand
sequence A
description binding site for residue LBM A 301
source : AC1

11) chain A
residue 152
type
ligand
sequence E
description binding site for residue LBM A 301
source : AC1

12) chain A
residue 153
type
ligand
sequence F
description binding site for residue LBM A 301
source : AC1

13) chain A
residue 156
type
ligand
sequence V
description binding site for residue LBM A 301
source : AC1

14) chain A
residue 198
type
ligand
sequence F
description binding site for residue LBM A 301
source : AC1

15) chain A
residue 202
type
ligand
sequence Y
description binding site for residue LBM A 301
source : AC1

16) chain A
residue 12
type
ligand
sequence R
description binding site for residue PEG A 302
source : AC2

17) chain A
residue 16
type
ligand
sequence M
description binding site for residue PEG A 302
source : AC2

18) chain A
residue 143
type
ligand
sequence N
description binding site for residue PEG A 303
source : AC3

19) chain A
residue 178
type
ligand
sequence T
description binding site for residue PEG A 303
source : AC3

20) chain A
residue 179
type
ligand
sequence E
description binding site for residue CL A 304
source : AC4

21) chain A
residue 182
type
ligand
sequence N
description binding site for residue CL A 304
source : AC4

22) chain A
residue 183
type
ligand
sequence R
description binding site for residue CL A 304
source : AC4

23) chain A
residue 12
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence R
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

24) chain A
residue 16
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence M
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

25) chain A
residue 30
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence W
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

26) chain A
residue 32
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence A
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

27) chain A
residue 171
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence D
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

28) chain A
residue 174-175
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence AL
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

29) chain A
residue 178
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence T
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_302

30) chain A
residue 12
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence R
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_303

31) chain A
residue 175
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence L
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_303

32) chain A
residue 178
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence T
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_303

33) chain A
residue 182-183
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence NR
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_A_303

34) chain A
residue 99-100
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence QA
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

35) chain A
residue 103-104
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence DF
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

36) chain A
residue 107-108
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence RY
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

37) chain A
residue 111-112
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence DF
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

38) chain A
residue 115
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence M
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

39) chain A
residue 133
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence V
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

40) chain A
residue 136-137
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence EL
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

41) chain A
residue 143-146
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence NWGR
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

42) chain A
residue 148-149
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence VA
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

43) chain A
residue 152-153
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence EF
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

44) chain A
residue 156
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence V
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

45) chain A
residue 198
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence F
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301

46) chain A
residue 202
type binding
ligand LBM: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
sequence Y
description 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide binding site
source pdb_hetatom : LBM_6o0l_A_301


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