Structure of PDB 4um9 Chain D Binding Site BS02

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4um9 Chain D Residue 2001 [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)		S125 E223
Binding residue
(residue number reindexed from 1)		S113 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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