Structure of PDB 4um9 Chain D Binding Site BS04

Receptor Information
>4um9 Chain D (length=455) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCALGGAETCEDCLLIGPQCAWCATENERCDTPANLLAKGCQLNFIENPV
SQVEILKNKPLSVGRQKNSSDIVQIAPQSLILKLRPGGAQTLQVHVRQTE
DYPVDLYYLMDLSASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVE
KPVSPFVKTTPEEIANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKN
QKISANIDTPEGGFDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMD
SKLAGIVCPNDGLCHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFA
VTQEQVHLYENYAKLIPGATVGLLQKDSGNILQLIISAYEELRSEVELEV
LGDTEGLNLSFTAICNNGTLFQHQKKCSHMKVGDTASFSVTVNIPHCERR
SRHIIIKPVGLGDALELLVSPECNCDCQKVEVNSSKCHNGNGSFQCGVCA
CPRCE
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 chain4um9 Chain D Residue 2003 [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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PDB4um9 Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E162 N218 D220 P222 E223
Binding residue
(residue number reindexed from 1)		E150 N206 D208 P210 E211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4um9, PDBe:4um9, PDBj:4um9
PDBsum4um9
PubMed25383667
UniProtP18564|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

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