Structure of PDB 5u6q Chain C Binding Site BS01

Receptor Information
>5u6q Chain C (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTHSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPW
MAENLAPDHWERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCE
LLEDGSTTGFLQYAYDGQDFLIFNKDTLSWLAVDNVAHTIKQAWEANQHE
LLYQKNWLEEECIAWLKRFLEYGKDTLQRTEPPLVRVNALFCKAHGFYPP
EIYMTWMKNGEEIVQEIDYGDILPSGDGTYQAWASIELDPQSSNLYSCHV
EHSGVHMVLQV
Ligand information
Ligand ID7ZS
InChIInChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKeyYOEUNKPREOJHBW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(C=O)c1O
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)C(=O)O)O)C=O
FormulaC8 H6 O4
Name3-methanoyl-2-oxidanyl-benzoic acid
ChEMBL
DrugBank
ZINCZINC000000507925
PDB chain5u6q Chain C Residue 301 [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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PDB5u6q Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y7 R9 S24 K43 Y62
Binding residue
(residue number reindexed from 1)		Y8 R10 S25 K44 Y63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5u6q, PDBe:5u6q, PDBj:5u6q
PDBsum5u6q
PubMed28166217
UniProtQ95460|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

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