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

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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 C:  GYDNREIVMKYIHYKLSQRGYEWDAGSEVVHLTLRQAVDD
FSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVN
WGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNR
HLHTWIQDNGGWDAFVELYG
Description (1)  Apoptosis regulator Bcl-2


Functional site

1) chain C
residue 12
type
ligand
sequence R
description binding site for residue LBM C 301
source : AC5

2) chain C
residue 100
type
ligand
sequence A
description binding site for residue LBM C 301
source : AC5

3) chain C
residue 103
type
ligand
sequence D
description binding site for residue LBM C 301
source : AC5

4) chain C
residue 107
type
ligand
sequence R
description binding site for residue LBM C 301
source : AC5

5) chain C
residue 108
type
ligand
sequence Y
description binding site for residue LBM C 301
source : AC5

6) chain C
residue 136
type
ligand
sequence E
description binding site for residue LBM C 301
source : AC5

7) chain C
residue 137
type
ligand
sequence L
description binding site for residue LBM C 301
source : AC5

8) chain C
residue 144
type
ligand
sequence W
description binding site for residue LBM C 301
source : AC5

9) chain C
residue 145
type
ligand
sequence G
description binding site for residue LBM C 301
source : AC5

10) chain C
residue 148
type
ligand
sequence V
description binding site for residue LBM C 301
source : AC5

11) chain C
residue 149
type
ligand
sequence A
description binding site for residue LBM C 301
source : AC5

12) chain C
residue 152
type
ligand
sequence E
description binding site for residue LBM C 301
source : AC5

13) chain C
residue 153
type
ligand
sequence F
description binding site for residue LBM C 301
source : AC5

14) chain C
residue 156
type
ligand
sequence V
description binding site for residue LBM C 301
source : AC5

15) chain C
residue 198
type
ligand
sequence F
description binding site for residue LBM C 301
source : AC5

16) chain C
residue 202
type
ligand
sequence Y
description binding site for residue LBM C 301
source : AC5

17) chain C
residue 12
type
ligand
sequence R
description binding site for residue PEG C 302
source : AC6

18) chain C
residue 12
type
ligand
sequence R
description binding site for residue PEG C 303
source : AC7

19) chain C
residue 143
type
ligand
sequence N
description binding site for residue PEG C 303
source : AC7

20) chain C
residue 146
type
ligand
sequence R
description binding site for residue PEG C 303
source : AC7

21) chain C
residue 179
type
ligand
sequence E
description binding site for residue CL C 304
source : AC8

22) chain C
residue 182
type
ligand
sequence N
description binding site for residue CL C 304
source : AC8

23) chain C
residue 183
type
ligand
sequence R
description binding site for residue CL C 304
source : AC8

24) chain C
residue 12
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence R
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

25) chain C
residue 16
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence M
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

26) chain C
residue 30
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence W
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

27) chain C
residue 32
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence A
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

28) chain C
residue 174-175
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence AL
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

29) chain C
residue 178
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence T
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_302

30) chain C
residue 12
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence R
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_303

31) chain C
residue 175
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence L
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_303

32) chain C
residue 178-179
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence TE
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_303

33) chain C
residue 182-183
type binding
ligand PEG: DI(HYDROXYETHYL)ETHER
sequence NR
description DI(HYDROXYETHYL)ETHER binding site
source pdb_hetatom : PEG_6o0l_C_303

34) chain C
residue 99-100
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence QA
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

35) chain C
residue 103-104
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence DF
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

36) chain C
residue 107-108
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence RY
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

37) chain C
residue 111-112
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence DF
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

38) chain C
residue 115
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence M
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

39) chain C
residue 133
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence V
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

40) chain C
residue 136-137
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence EL
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

41) chain C
residue 143-146
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence NWGR
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

42) chain C
residue 148-149
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence VA
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

43) chain C
residue 152-153
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence EF
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

44) chain C
residue 156
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence V
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

45) chain C
residue 198
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence F
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301

46) chain C
residue 202
type binding
ligand LBM: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
sequence Y
description 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-~{N}-[4-(oxan-4-ylmethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide binding site
source pdb_hetatom : LBM_6o0l_C_301


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