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4C52

Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)

Functional Information from GO Data
ChainGOidnamespacecontents
A0042981biological_processregulation of apoptotic process
B0042981biological_processregulation of apoptotic process
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE X0D A 300
ChainResidue
ATYR101
AGLY147
ALEU150
AALA104
ALEU112
APHE123
AVAL126
AVAL127
ALEU130
APHE143
APHE146

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X0D B 300
ChainResidue
AARG102
BTYR101
BARG103
BALA104
BLEU112
BPHE123
BVAL126
BLEU130
BPHE143
BPHE146
BGLY147
BMET170
BHOH2048

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 1199
ChainResidue
BASN136
BARG139
BHOH2044

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1197
ChainResidue
AARG6
AVAL10
ATRP24
BSER-1
BMET1
BSER2

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1200
ChainResidue
BALA119
BTYR120
BARG165
BTRP169

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1198
ChainResidue
ASER-1
AGLY-2
AGLU7
BTRP24
BSER25

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1199
ChainResidue
ALYS157
BARG132

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1200
ChainResidue
AASN136
AARG139

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1201
ChainResidue
AGLU124
AGLN125
AASN128
AHIS177
BASN175
BASP176
BHOH2066

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1201
ChainResidue
BASN136
BTRP137
BGLY138

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1202
ChainResidue
AASN136
ATRP137
AGLY138
ATYR195

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1203
ChainResidue
ATHR115
APRO116
AHOH2037
BPHE131
BTYR173
BHIS177
BHOH2039

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1204
ChainResidue
AGLY-5
AGLN3
AHOH2067
BGLU179

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1207
ChainResidue
AASN128
AVAL135
ATYR173
AHIS177
BHOH2066

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1202
ChainResidue
ALEU-3
BSER25
BGLN26

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1203
ChainResidue
ASER110
BGLN121
BGLU124
BGLN125
BHOH2040

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 1204
ChainResidue
BGLU98
BARG102

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1205
ChainResidue
ASER14
AALA84
ALYS87
BGLU7

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1206
ChainResidue
AGLN88
AARG91
BTYR15
BARG91

site_idCC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1205
ChainResidue
AASP11
AARG91
BARG91

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1206
ChainResidue
BTHR115
BTYR15
BSER18

Functional Information from PROSITE/UniProt
site_idPS01080
Number of Residues19
DetailsBH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. LFrDGv.NWGRIVAFFsFGG
ChainResidueDetails
ALEU130-GLY148

site_idPS01258
Number of Residues12
DetailsBH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WIqenGGWDtFV
ChainResidueDetails
ATRP181-VAL192

site_idPS01259
Number of Residues15
DetailsBH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. VkqaLReAGDEFELR
ChainResidueDetails
AVAL86-ARG100

site_idPS01260
Number of Residues21
DetailsBH4_1 Apoptosis regulator, Bcl-2 family BH4 motif signature. SNRELVvDFLSYKLSQKGYsW
ChainResidueDetails
ASER4-TRP24

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsSITE: Cleavage; by caspase-1
ChainResidueDetails
AGLY117
BGLY117

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphoserine; by PLK3 => ECO:0000269|PubMed:21840391
ChainResidueDetails
APHE105
BPHE105

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK1 => ECO:0000269|PubMed:19917720
ChainResidueDetails
ATHR118
BTHR118

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PDB entries from 2024-07-24

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