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6UVC

Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid

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 Residues15
Detailsbinding site for residue XOY A 301
ChainResidue
AALA93
APHE146
APHE191
AEDO308
AHOH415
AHOH481
AHOH516
ATYR101
AALA104
APHE105
ALEU108
AGLU129
ATRP137
AGLY138
AALA142

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 302
ChainResidue
ATYR22
ASER23
AHOH440
BVAL155

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 303
ChainResidue
AARG100
AGLN160
AVAL161
AHOH433

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 304
ChainResidue
AGLN125
AASN128
AHOH444
BGLU96

site_idAC5
Number of Residues4
Detailsbinding site for residue EDO A 305
ChainResidue
ATRP24
ASER25
AEDO309
AHOH412

site_idAC6
Number of Residues3
Detailsbinding site for residue EDO A 306
ChainResidue
ATYR101
AARG103
AALA104

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 307
ChainResidue
AGLY134
AVAL135
ATRP181
AHOH483

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 308
ChainResidue
ALEU130
AARG139
AXOY301
AHOH415
AHOH442

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO A 309
ChainResidue
ASER14
AMET83
AALA84
ALYS87
AEDO305

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 310
ChainResidue
AGLN160
AHOH411
BTRP24

site_idAD2
Number of Residues12
Detailsbinding site for residue XOY B 301
ChainResidue
BALA93
BTYR101
BPHE105
BLEU108
BASN136
BTRP137
BGLY138
BARG139
BALA142
BPHE191
BEDO304
BHOH410

site_idAD3
Number of Residues2
Detailsbinding site for residue SO4 B 302
ChainResidue
BTHR115
BGLY117

site_idAD4
Number of Residues6
Detailsbinding site for residue EDO B 303
ChainResidue
AARG6
AVAL10
BALA167
BALA168
BHOH403
BHOH408

site_idAD5
Number of Residues3
Detailsbinding site for residue EDO B 304
ChainResidue
BARG139
BXOY301
BHOH410

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

224572

PDB entries from 2024-09-04

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