MolNFT v1 · #178256 · protein

Toxoplasma gondii prolyl-tRNA synthetase (tgprs) in complex with inhibitor T35 and halofuginone

7F9U: “Toxoplasma gondii prolyl-tRNA synthetase (tgprs) in complex with inhibitor T35 and halofuginone”. X-ray diffraction, 5 ligands (HFG, 1TI, CA). MolNFT v1 #178256 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7F9U
Type: protein
Length: 1,931 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: A0A7J6JUK2
Ligands: HFG, 1TI, CA, CL, BR

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	479	—	A0A7J6JUK2
B	—	protein	483	—	A0A7J6JUK2
C	—	protein	489	—	A0A7J6JUK2
D	—	protein	480	—	A0A7J6JUK2

Ligands and binding sites

HFG · 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one · ligand · 4 copies · chains A, B, C, D
1TI · 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide · ligand · 4 copies · chains A, B, C, D
CA · Calcium ion · metal · 3 copies · chains A, B
CL · Chloride ion · ion · 8 copies · chains A, B, C
BR · Bromide ion · ion · 3 copies · chains A, B, D

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

Compared structures

7F9U · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and… · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A7J6JUK2
Elsewhere: RCSB PDB 7F9U · PDBe 7F9U · UniProt A0A7J6JUK2

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