Structure of PDB 8auw Chain A Binding Site BS01

Receptor Information
>8auw Chain A (length=2900) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWLVLRDGCMHCDADGLHSLSYHPALNAILAVTSRGTIKVIDGTSGATLQ
ASALSAKPGGQVKCQYISAVDKVIFVDDYAVGCRKDLNGILLLDTALQTP
VSKQDDVVQLELPVTEAQQLLSACLEKVDISSTEGYDLFITQLKDGLKNT
SHETAANHKVAKWATVTFHLPHHVLKSIASAIVNELKKINQNVAALPVAS
SVMDRLSYLLPSARPELGVGPGRSVDRSLMYSEANRRETFTSWPHVGYRW
AQPDPMAQAGFYHQPASSGDDRAMCFTCSVCLVCWEPTDEPWSEHERHSP
NCPFVKGEHTQNVPLSVTLATSPAQFPCTDGTDRISCFGSGSCPHFLAAA
TKRGKICIWDVSKLMKVHLKFEINAYDPAIVQQLILSGAMEVSLDITALS
ILQQPFPCLLAGGLLTYKSPATPLVRRTLPVLLLYSIKESDVFPKPGTLV
QCLRLPKFAEEENLCIDSITPCADGIHLLVGLRTCPVERNVSGGYLVLYK
MNYATRIVTLEEEPIKIQHIKDPQDTITSLILLPPDILDNISTLGHLVIT
TQGGYVKILDLSNFEILAKVEPPKKEGTEEQDTFVSVIYCSGTDRLCACT
KGGELHFLQIGGISGVDLLVDQPFTLEILTSLVELTRFETLTPRFSATVP
PCWVETRTWKLQTDSNSWDEHVFELVLPKACMVGHVDFKFVLNSNITNIP
QIQVTLLKNKAPGLLRLCPFLEDHKEDILCGPVWLASGLDLSGHAGMLTL
TSPKLVKGMAGGKYRSFLIHVKAVNESENLRGCDLLQEVSVTIRRFKKTS
ISKERVQRCAMLQFSEFHEKLVNTLCRKTDDGQITEHAQSLVLDTLCWLA
GVHSNGPGSSKEGNENLLSKTRKFLSDIVRVCFFEAGRSIAHKCARFLAL
CISNGKCDPCQPAFGPVLLKALLDNMSFLPAATTGGSVYWYFVLLNYVKD
EDLAGCSTACASLLTAVSRQLQDTPMEALLQTRYGLYSSPFDPVLFDLEM
SGSEIDLSDVLEGSFTSLTGLLEVEPLHFTCVSTSDGTRIERDDGLALAI
SHASHFLQPPPHQSIIIERMHSGARRFVTLDFGRPILLTDVLIPTCGDLA
SLSIDIWTLGEEVDGRRLVVATDISTHSLILHDLIPPPVCRFMKITVIGR
YGSTNARAKIPLGFYYGHTYILPWESELKNQPEIDQHLAMMVALQEDIQC
RYNLACHRLETLLQSIDLPPLNSANNAQYFLVEEDSRVFSAYQDCIQLQL
QLNLAHNAVQRLKVALGASRKMLSETSNPEDLIQTSSTEQLRTIIRYLLD
TLLSLLHASNGHSVPAVLQSTFHAQACEELFKHLCISGTPKIRLHTGLLL
VQLCGGERWWGQFLSNVLQELYNSEQLLIFPQDRVFMLLSCIGQRSLSNS
GVLESLLNLLDNLLSPLQVLDIPMISWVVMLVSRLLDYVATVEDEANQWS
FINNSRKIRKQLVHHKQQLNLLKAKQKALVEQMEKEKIQSNKGSSYKLLV
EQAKLKQATSKHFKDLIRLRRTFTLAHERCISVVQKLVLFLLSMDFTCHA
DLLLFVCKVLARIANATRPTIHLCEIVNEPQLERLLLLLVGTDFNRGDIS
WGGAWAQYSLTCMLQDILAGELLSVSQALDARLEVGLEQQAELMLKMMST
LEADSILQALTNTSPLSSVPMLNVCFNKLFSMLQVHHVQLESLLQLWLTL
SLNSLYNANRIPVISLNQASITSFLTVLAWYPNTLLRTWCLVLHSLTLMT
NMQLNQESTAHLLVSDPNLIHVLVKFLSGTSPHGTNQHSPQVGPTATQAM
QEFLTRLQVHLSSTCPQIFSEFLLKLIHILSTERGAFQTGQGPLDAQVKL
LEFTLEQNFEVVSVSTISAVIESVTFLVHHYITCSDKVMSRSEMTRDQLM
FDLLKLVNILVQLPLSGPAYVADLVLANQQIMSQILSALGLCNSSISVGD
GLFTILTTLSKKASTVHMMLQPILTYMACGTCQLSEPLLWFILRVLDTSD
ALKAFHDMGGVQLICNNMVTSTRAIVNTARSMVSTIMKFLDGIHNFAPLG
TITSSSPTAQPAEVLLQATPPHRRARSAAWSYIFLPEEAWCDLTIHLPAA
VLLKEIHIQPHLASLATCPSSVSVEVSADGVNMLPLSTPVVTSGLTYIKI
QLVKAEVASAVCLRLHRPRDASTLGLSQIKLLGLTAFGEDQVSKTSIGWL
RLLHHCLTHISDLEGMMASAAAPTANLLQTCAALLMSPYCGMHSPNIEVV
LVKIGLQSTRIGLKLIDILLRNSDSTIDILYQLGTTQDPGTKDRIQALLK
WVSDSARVAAMKTVEYGLLMPSPSHLHCVAAILWHSYELLVEYDLPALLD
QELFELLFNWSMSLPCNMVLKKAVDSLLCSMCHVHPNYFSLLMGWMGITP
LALTESHLATLASSSQSPEAIKQLLDSGLPSLLVRSLASFCFSHISSSES
INKMPITADLVAPILRFLTEVGNSHIMKDWLGGSEVNPLWTALLFLLCHS
GSTGLTTQQRTAIENATVAFFLQCISCHPNNQKLMAQVLCELFQTSPQGN
ISGFIRRLFLQLMLEDEKVTMFLQSPCPLYVIQHPMYGAGHKFRTLHLPV
STTLSDVLDRVITVPVFHLFHKLLAGQPLPAEMTLAQLLTLLYDRKLPQG
YRSIDLTVKLGSRVISLLETCPIQSPLQVFAGMGGLALIAERLIPAHSLA
AFGLFLRLPGYAEVLLKERKHAQCLLRLVLGVLPTLPFHVLRSLFSTTPL
TTDDGVLLRRMALEIGALHLILVCLSALSHHSPRVPRLEEEHVTCLLQVL
ASYINPVSSQNSNALPSVLLELLSQSCLIPAMSSYLRNPLYRALLELLRA
IASCAAMVPLLLPLQTSVGTLLAKMKTCVDLVPDIQKTAEIVYAATTSLR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8auw Chain A Residue 4901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8auw Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex.
Resolution7.2 Å
Binding residue
(original residue number in PDB)		C328 C331 H348 C355
Binding residue
(residue number reindexed from 1)		C275 C278 H295 C302
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0004842 ubiquitin-protein transferase activity
GO:0004869 cysteine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0061631 ubiquitin conjugating enzyme activity
Biological Process
GO:0001890 placenta development
GO:0006468 protein phosphorylation
GO:0006915 apoptotic process
GO:0008283 cell population proliferation
GO:0008284 positive regulation of cell population proliferation
GO:0010466 negative regulation of peptidase activity
GO:0016567 protein ubiquitination
GO:0032465 regulation of cytokinesis
GO:0042127 regulation of cell population proliferation
GO:0042981 regulation of apoptotic process
GO:0043066 negative regulation of apoptotic process
GO:0051301 cell division
GO:0060711 labyrinthine layer development
GO:0060712 spongiotrophoblast layer development
GO:2001237 negative regulation of extrinsic apoptotic signaling pathway
Cellular Component
GO:0000922 spindle pole
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005813 centrosome
GO:0005815 microtubule organizing center
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0016020 membrane
GO:0030496 midbody
GO:0090543 Flemming body

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8auw, PDBe:8auw, PDBj:8auw
PDBsum8auw
PubMed36758105
UniProtQ9NR09|BIRC6_HUMAN Baculoviral IAP repeat-containing protein 6 (Gene Name=BIRC6)

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