Structure of PDB 5u2v Chain C Binding Site BS01

Receptor Information

>5u2v Chain C (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRTHSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPW
MAENLAPDHWERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCE
LLEDGSTTGFLQYAYDGQDFLIFNKDTLSWLAVDNVAHTIKQAWEANQHE
LLYQKNWLEEECIAWLKRFLEYGKDTLQRTEPPLVRVNRALFCKAHGFYP
PEIYMTWMKNGEEIVQEIDYGDILPSGDGTYQAWASIELDPQSSNLYSCH
VEHSGVHMVLQV

Ligand information

Ligand ID

7WQ

InChI

InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3

InChIKey

FZHSPPYCNDYIKD-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	COc1ccc(O)c(C=O)c1
ACDLabs 12.01	COc1cc(c(cc1)O)C=O
OpenEye OEToolkits 2.0.6	COc1ccc(c(c1)C=O)O

Formula

C8 H8 O3

Name

2-hydroxy-5-methoxybenzaldehyde

PDB chain

5u2v Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5u2v Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	Y7 K43 H58 Y62
Binding residue (residue number reindexed from 1)	Y8 K44 H59 Y63
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5u2v, PDBe:5u2v, PDBj:5u2v
PDBsum	5u2v
PubMed	28166217
UniProt	Q95460\|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

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