Structure of PDB 7zt9 Chain A Binding Site BS01

Receptor Information
>7zt9 Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTHSLRYFRLGVSDPIVPEFISVGYVDSHPITTYDSVTRQKEPRAPWMA
ENLAPDHWERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCELL
EDGSTTGFLQYAYDGQDFLIFNKDTLSWLAVDNVAHTIKQAWEANQHELL
YQKNWLEEECIAWLKRFLEYGKDTLQRTEPPLVRVNRKETFPGVTALFCK
AHGFYPPEIYMTWMKNGEEIVQEIDYGDILPSGDGTYQAWASIELDPQNL
YSCHVEHSGVHMVLQV
Ligand information
Ligand ID4MA
InChIInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyLPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C(=O)O
CACTVS 3.341Cc1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(cc1)C
FormulaC8 H8 O2
Name4-METHYLBENZOIC ACID;
P-METHYLBENZOIC ACID
ChEMBLCHEMBL21708
DrugBank
ZINCZINC000000330134
PDB chain7zt9 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7zt9 Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		Y7 R9 S24 K43 W69
Binding residue
(residue number reindexed from 1)		Y8 R10 S23 K42 W68
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7zt9, PDBe:7zt9, PDBj:7zt9
PDBsum7zt9
PubMed37382893
UniProtQ95460|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

[Back to BioLiP]