Structure of PDB 6om1 Chain F Binding Site BS01

Receptor Information
>6om1 Chain F (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTQVTPGEVSIQLRPGAEANFMLKVHPLKKYPVDLYYLVDVSASMHNNIE
KLNSVGNDLSRKMAFFSRDFRLGFGSYVDKTVSPYISIHPECNLDCMPPH
GYIHVLSLTENITEFEKAVHRQKISGNIDTPEGGFDAMLQAAVCESHIGW
RKEAKRLLLVMTDQTSHLALDSKLAGIVCPNDGNCHLKNNVYVKSTTMEH
PSLGQLSEKLIDNNINVIFAVQGKQFHWYKDLLPLLPGTIAGEIESKAAN
LNNLVVEAYQKLISEVKVQVENQVQYFNITAICPDGSRKPGMEGCRNVTS
NDEVLFNVTVTGKNYAIIKPIGFNETAKIHIH
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 chain6om1 Chain F Residue 505 [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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PDB6om1 General structural features that regulate integrin affinity revealed by atypical alpha V beta 8.
Resolution2.66 Å
Binding residue
(original residue number in PDB)
S114 E212
Binding residue
(residue number reindexed from 1)
S42 E132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6om1, PDBe:6om1, PDBj:6om1
PDBsum6om1
PubMed31792290
UniProtP26012|ITB8_HUMAN Integrin beta-8 (Gene Name=ITGB8)

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