Structure of PDB 4um8 Chain B Binding Site BS01

Receptor Information
>4um8 Chain B (length=423) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCALGGTCEDCLLIGPQCAWCARCDTPANLLAKGCQLNFIENPVSQVEIL
KNKPLSVGRQKNSSDIVQIAPQSLILKLRPGGAQTLQVHVRQTEDYPVDL
YYLMDLSASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVEKPVSPF
VKTTPEEIANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKNQKISAN
IDTPEGGFDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMDSKLAGI
VCPNDGLCHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFAVTQEQV
HLYENYAKLIPGATVGLLQKDSGNILQLIISAYEELRSEVELEVLGDTEG
LNLSFTAICNNGTLFQHQKKCSHMKVGDTASFSVTVNIPHCERRSRHIII
KPVGLGDALELLVSPECNCDCQK
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 chain4um8 Chain B 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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PDB4um8 Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta
Resolution2.852 Å
Binding residue
(original residue number in PDB)		D123 S125 E223 D254
Binding residue
(residue number reindexed from 1)		D105 S107 E205 D236
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4um8, PDBe:4um8, PDBj:4um8
PDBsum4um8
PubMed25383667
UniProtP18564|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

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