Structure of PDB 7zt7 Chain A Binding Site BS01

Receptor Information

>7zt7 Chain A (length=267) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRTHSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPW
MAENLAPDHWERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCE
LLEDGSTTGFLQYAYDGQDFLIFNKDTLSWLAVDNVAHTIKQAWEANQHE
LLYQKNWLEEECIAWLKRFLEYGKDTLQRTEPPLVRVNRKETFPGVTALF
CKAHGFYPPEIYMTWMKNEIVQEIDYGDILPSGDGTYQAWASIELDPSNL
YSCHVEHSGVHMVLQVP

Ligand information

Ligand ID

54G

InChI

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

InChIKey

DLGBEGBHXSAQOC-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	c1cc(c(cc1C)C(O)=O)O
OpenEye OEToolkits 1.9.2	Cc1ccc(c(c1)C(=O)O)O
CACTVS 3.385	Cc1ccc(O)c(c1)C(O)=O

Formula

C8 H8 O3

Name

2-hydroxy-5-methylbenzoic acid

PDB chain

7zt7 Chain A 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	7zt7 Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
Resolution	1.84 Å
Binding residue (original residue number in PDB)	Y7 R9 S24 K43 W69
Binding residue (residue number reindexed from 1)	Y8 R10 S25 K44 W70
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7zt7, PDBe:7zt7, PDBj:7zt7
PDBsum	7zt7
PubMed	37382893
UniProt	Q95460\|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

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