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3CLX

Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005

Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 502
ChainResidue
DCYS300
DCYS303
DHIS320
DCYS327

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 502
ChainResidue
ACYS300
ACYS303
AHIS320
ACYS327

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 502
ChainResidue
BCYS303
BHIS320
BCYS327
BCYS300

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 502
ChainResidue
CCYS300
CCYS303
CHIS320
CCYS327

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE X22 D 600
ChainResidue
AGLU318
CX22700
DLYS297
DGLY306
DLEU307
DTHR308
DASP309
DGLU314
DTRP323
DTYR324

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE X22 A 600
ChainResidue
AHOH17
ALYS297
AGLY306
ALEU307
ATHR308
AASP309
AGLU314
AGLN319
ATRP323
ATYR324
CLEU352

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X22 B 600
ChainResidue
BLYS297
BVAL298
BGLY306
BLEU307
BTHR308
BASP309
BTRP310
BGLU314
BGLN319
BTRP323
BTYR324
DGLU349
DLEU352

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE X22 C 700
ChainResidue
ATYR338
ATHR345
CGLN336
CGLU337
CILE339
CASN340
CHIS343
CLEU344
CSER347
DHOH12
DARG258
DGLY304
DLYS322
DTRP323
DTYR324
DX22600

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X22 C 600
ChainResidue
BGLU318
BILE342
BTHR345
BGLU349
CLYS297
CGLY306
CLEU307
CTHR308
CTRP310
CGLU314
CGLN319
CTRP323
CTYR324

site_idBC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE X22 C 701
ChainResidue
BTYR338
BTHR345
CHOH20
CCYS303
CLYS322
CTRP323
CTYR324
CPRO325
DHOH33
DPRO325
DGLN336
DGLU337
DASN340
DHIS343
DLEU344
DSER347

Functional Information from PROSITE/UniProt
site_idPS01282
Number of Residues66
DetailsBIR_REPEAT_1 BIR repeat. YeaRiftfgt.Wiysvnkeqlar...AGFyAlgegDkvkCfhCgggltdWkpsedpweqHakwyPgCkyL
ChainResidueDetails
DTYR265-LEU330

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00029
ChainResidueDetails
DCYS300
DCYS303
DHIS320
DCYS327
ACYS300
ACYS303
AHIS320
ACYS327
BCYS300
BCYS303
BHIS320
BCYS327
CCYS300
CCYS303
CHIS320
CCYS327

site_idSWS_FT_FI2
Number of Residues12
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:12747801
ChainResidueDetails
DLYS322
DLYS328
ALYS322
ALYS328
BLYS322
BLYS328
CLYS322
CLYS328

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PDB entries from 2024-06-12

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