Structure of PDB 8gcd Chain B Binding Site BS03

Receptor Information

>8gcd Chain B (length=697) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCA
PESIEFPVSEARVLEDRPLSDKGSQVTQVSPQRIALRLRPDDSKNFSIQV
RQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFN
EEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKT
HIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNI
NLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSK
VELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVR
GCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEQDECSPREGQPVCSQRGECLCGQCVCHS
SDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNC
TTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTF
KKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNE
DDCVVRFQYYEDSSGKSILYVVEEPECILVVLLSVMGAILLIGLAAL

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8gcd Chain B Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8gcd Full-length AlphaIIbBeta3 CryoEM structure reveals intact integrin initiate-activation intrinsic architecture
Resolution	2.97 Å
Binding residue (original residue number in PDB)	D158 N215 D217 P219 E220
Binding residue (residue number reindexed from 1)	D154 N211 D213 P215 E216
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8gcd, PDBe:8gcd, PDBj:8gcd
PDBsum	8gcd
PubMed	38579706
UniProt	P05106\|ITB3_HUMAN Integrin beta-3 (Gene Name=ITGB3)

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