Structure of PDB 5xau Chain D Binding Site BS01

Receptor Information
>5xau Chain D (length=594) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQAVLDAGHSVSTLEKTLPQLLAKLSILENRGVHNASLALSASIGRVREL
CAQARGAASKVKVPMKFNGRSGVQLRTPRDLADLAAYTALKFYLQGPEDR
FVMYMGSRQATGDYMGVSLRDKKVHWVYQLGEAGPAVLSIDEDIGEQFAA
VSLDRTLQFGHMSVTVEIQETKGDTVAPGAEGLLNLRPDDFVFYVGGYPS
TFTPPPLLRFPGYRGCIEMDTLNEEVVSLYNFERTFQLDTAVDRPCARSK
STGDPWLTDGSYLDGTGFARISFDSQISTTKRFEQELRLVSYSGVLFFLK
QQSQFLCLAVQEGSLVLLYDFGAGLKKAVPLQPPPPLTSASKAIQVFLLG
GSRKRVLVRVERATVYSVEQDNDLELADAYYLGGVPPDQLPPSLRRLFPT
GGSVRGCVKGIKALGKYVDLKRLNTTGVSAGCTADLLVGRAMTFHGHGFL
RLALSNVAPLTGNVYSGFGFHSAQDSALLYYRASPDGLCQVSLQQGRVSL
QLLRTEVKTQAGFADGAPHYVAFYSNATGVWLYVDDQLQQMKPHPRLLLG
GLPETIYNFSGCISNVFVQRLLGPQRVFDLQQNLGSVNVSTGCA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5xau Chain D Residue 3401 [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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PDB5xau Mechanistic basis for the recognition of laminin-511 by alpha 6 beta 1 integrin.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D2793 L2810 L2866 N2868 D3219
Binding residue
(residue number reindexed from 1)		D113 L130 L183 N185 D536
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Biological Process
External links
PDB RCSB:5xau, PDBe:5xau, PDBj:5xau
PDBsum5xau
PubMed28879238
UniProtO15230|LAMA5_HUMAN Laminin subunit alpha-5 (Gene Name=LAMA5)

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