Structure of PDB 8tcg Chain B Binding Site BS03

Receptor Information
>8tcg Chain B (length=242) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYPVDLYYLMDLSASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVE
KPVSPFVKTTPEEIANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKN
QKISANIDTPEGGFDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMD
SKLAGIVCPNDGLCHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFA
VTQEQVHLYENYAKLIPGATVGLLQKDSGNILQLIISAYEEL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8tcg Chain B 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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PDB8tcg De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		E162 N218 D220 T221 P222 E223
Binding residue
(residue number reindexed from 1)		E50 N106 D108 T109 P110 E111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8tcg, PDBe:8tcg, PDBj:8tcg
PDBsum8tcg
PubMed37704610
UniProtP18564|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

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