Structure of PDB 7zt4 Chain A Binding Site BS01

Receptor Information
>7zt4 Chain A (length=264) 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
CKAHGFYPPEIYMTWMKNEIVQEIDYGDILPSGDGTYQAWASIELDPQSY
SCHVEHSGVHMVLQ
Ligand information
Ligand IDJSO
InChIInChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
InChIKeyUDOGNMDURIJYQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 2.0.7Cc1cnc2c(n1)C(=O)NC(=N2)N
FormulaC7 H7 N5 O
Name2-azanyl-6-methyl-3~{H}-pteridin-4-one
ChEMBLCHEMBL14913
DrugBank
ZINCZINC000000403052
PDB chain7zt4 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

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PDB7zt4 Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		Y7 R9 K43 Y62 W69 W156
Binding residue
(residue number reindexed from 1)		Y8 R10 K44 Y63 W70 W157
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7zt4, PDBe:7zt4, PDBj:7zt4
PDBsum7zt4
PubMed37382893
UniProtQ95460|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

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