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3CM2

Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010

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 Residues4
DetailsBINDING SITE FOR RESIDUE ZN E 502
ChainResidue
ECYS300
ECYS303
EHIS320
ECYS327

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN F 502
ChainResidue
FCYS300
FCYS303
FHIS320
FCYS327

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN G 502
ChainResidue
GCYS300
GCYS303
GHIS320
GCYS327

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN H 502
ChainResidue
HCYS300
HCYS303
HHIS320
HCYS327

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN I 502
ChainResidue
ICYS300
ICYS303
IHIS320
ICYS327

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN J 502
ChainResidue
JCYS300
JCYS303
JHIS320
JCYS327

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 D 600
ChainResidue
DLEU292
DLYS297
DGLY306
DLEU307
DTHR308
DASP309
DTRP310
DGLU314
DGLN319
DTRP323
HGLU349
HLEU352

site_idBC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 A 600
ChainResidue
ALEU292
ALYS297
ALYS299
AGLY306
ALEU307
ATHR308
AASP309
AGLU314
AGLN319
ATRP323
BGLU349
BLEU352

site_idBC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 B 600
ChainResidue
BLEU292
BLYS297
BGLY306
BLEU307
BTHR308
BASP309
BTRP310
BGLU314
BGLN319
BTRP323
FGLU349
FLEU352

site_idBC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE X23 C 600
ChainResidue
CLEU292
CLYS297
CGLY306
CLEU307
CTHR308
CASP309
CTRP310
CGLU314
CTRP323
GGLU349
GLEU352

site_idBC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 E 600
ChainResidue
ELEU292
ELYS297
EGLY306
ELEU307
ETHR308
EASP309
ETRP310
EGLU314
EGLN319
ETRP323
IGLU349
ILEU352

site_idBC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X23 F 600
ChainResidue
CHIS346
CGLU349
CLEU352
FLEU292
FLYS297
FGLY306
FLEU307
FTHR308
FASP309
FTRP310
FGLU314
FGLN319
FTRP323

site_idBC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X23 G 600
ChainResidue
AHIS346
AGLU349
ALEU352
GLEU292
GLYS297
GGLY306
GLEU307
GTHR308
GASP309
GTRP310
GGLU314
GGLN319
GTRP323

site_idBC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 H 600
ChainResidue
HLEU292
HLYS297
HGLY306
HLEU307
HTHR308
HASP309
HTRP310
HGLU314
HGLN319
HTRP323
JGLU349
JLEU352

site_idCC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE X23 I 600
ChainResidue
DGLU349
DLEU352
ILEU292
ILYS297
ILYS299
IGLY306
ILEU307
ITHR308
IASP309
ITRP310
IGLU314
IGLN319
ITRP323

site_idCC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X23 J 600
ChainResidue
EHIS346
EGLU349
ELEU352
JLYS297
JGLY306
JLEU307
JTHR308
JASP309
JTRP310
JGLU314
JGLN319
JTRP323

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 Residues40
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00029
ChainResidueDetails
DCYS300
BCYS303
BHIS320
BCYS327
CCYS300
CCYS303
CHIS320
CCYS327
ECYS300
ECYS303
EHIS320
DCYS303
ECYS327
FCYS300
FCYS303
FHIS320
FCYS327
GCYS300
GCYS303
GHIS320
GCYS327
HCYS300
DHIS320
HCYS303
HHIS320
HCYS327
ICYS300
ICYS303
IHIS320
ICYS327
JCYS300
JCYS303
JHIS320
DCYS327
JCYS327
ACYS300
ACYS303
AHIS320
ACYS327
BCYS300

site_idSWS_FT_FI2
Number of Residues30
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:12747801
ChainResidueDetails
DLYS322
CLYS322
CLYS328
ELYS322
ELYS328
FLYS322
FLYS328
GLYS322
GLYS328
HLYS322
HLYS328
ILYS322
ILYS328
JLYS322
DLYS328
JLYS328
ALYS322
ALYS328
BLYS322
BLYS328

220113

PDB entries from 2024-05-22

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