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MolNFT v1 · #139524 · protein

Crystal structure of prolyl-tRNA synthetase (prs) from toxoplasma gondii

5XIF · Prolyl-tRNA synthetase (prors): “Crystal structure of prolyl-tRNA synthetase (prs) from toxoplasma gondii”. X-ray diffraction, 1 ligand (CL), 10 pockets (best druggability 0.85). MolNFT v1 #139524 on GenesisL1: 3D structure, binding…

PDB
5XIF
Type
protein
Length
941 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prolyl-tRNA synthetase (prors)
EC
6.1.1.15
UniProt
S8G8I1
Ligands
CL
Pockets
10 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProlyl-tRNA synthetase (prors) (EC 6.1.1.15)protein47336% helix, 28% strandS8G8I1
BProlyl-tRNA synthetase (prors) (EC 6.1.1.15)protein46837% helix, 29% strandS8G8I1

Ligands and binding sites

  • CL · Chloride ion · ion · 7 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16380.850.8977CL
2610.730.9817empty
33620.690.8228empty
42230.680.8527empty
51130.530.8326CL

Interfaces

1 interface between chains.

  • A–B · 2707 Ų buried · 46 hydrogen bonds · protein-protein

Compared structures

  • 5XIF · Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii · the same entry in another collection · chain A against A, TM-score 1.00

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