MolNFT v1 · #181727 · protein

Structure of tim-3 in complex with 8-chloro-2-methyl-9-(3- mehtylpyridin-4-yl)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5(6H)-one (compound 22)

7M3Y · Hepatitis a virus cellular receptor 2: “Structure of tim-3 in complex with 8-chloro-2-methyl-9-(3…”. X-ray diffraction, 2 ligands (YQ7, CA). MolNFT v1 #181727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7M3Y
Type: protein
Length: 109 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hepatitis a virus cellular receptor 2
UniProt: Q8TDQ0
Ligands: YQ7, CA

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Hepatitis a virus cellular receptor 2	protein	109	6% helix, 40% strand	Q8TDQ0

Ligands and binding sites

YQ7 · (4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1, 2,4]triazolo[1,5-c]quinazolin-5(6H)-one · ligand · chains B
CA · Calcium ion · metal · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

7M3Y · Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triaz… · the same entry in another collection · chain B against B, TM-score 1.00
Q8TDQ0 · AlphaFold monomer V2.0 prediction for hepatitis a virus cellular receptor 2 (Q8TDQ0) · a predicted model of the same protein · chain B against A, TM-score 0.95

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8TDQ0
Elsewhere: RCSB PDB 7M3Y · PDBe 7M3Y · UniProt Q8TDQ0

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