Structure of PDB 7rno Chain A Binding Site BS01

Receptor Information
>7rno Chain A (length=268) Species: 9606,9913 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPWMAE
NLAPDHWERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCELLE
DGSTTGFLQYAYDGQDFLIFNKDTLSWLAVDNVAHTIKQAWEANQHELLY
QKNWLEEECIAWLKRFLEYGKDTLQRTEPPKVRVNHKETFPGITTLYCRA
YGFYPPEISINWMKNGEEIFQDTDYGGILPSGDGTYQTWVSVELDPQNGD
IYSCHVEHGGVHMVLQGF
Ligand information
Ligand ID30W
InChIInChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
InChIKeyDDBCPKAHJKOGKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1
CACTVS 3.385CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1
ACDLabs 12.01O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
FormulaC9 H7 N5 O3
NameN-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide;
Acetyl 6-formylpterin
ChEMBLCHEMBL1742248
DrugBank
ZINCZINC000018203319
PDB chain7rno 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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PDB7rno TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules.
ResolutionN/A
Binding residue
(original residue number in PDB)		Y8 K44 W70 W157 E161
Binding residue
(residue number reindexed from 1)		Y5 K41 W67 W154 E158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7rno, PDBe:7rno, PDBj:7rno
PDBsum7rno
PubMed35725941
UniProtC1ITJ8;
Q95460|HMR1_HUMAN Major histocompatibility complex class I-related gene protein (Gene Name=MR1)

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