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MolNFT v1 · #104179 · protein

Crystal structure of arginyl-tRNA synthetase complexed with L-arginine

4Q2T · Arginine--tRNA ligase, cytoplasmic: “Crystal structure of arginyl-tRNA synthetase complexed with L-arginine”. X-ray diffraction, 1 ligand (ARG), 19 pockets (best druggability 0.77). MolNFT v1 #104179 on GenesisL1: 3D structure…

PDB
4Q2T
Type
protein
Length
1,178 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arginine--tRNA ligase, cytoplasmic
EC
6.1.1.19
UniProt
P54136
Ligands
ARG
Pockets
19 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AArginine--tRNA ligase, cytoplasmic (EC 6.1.1.19)protein59052% helix, 12% strandP54136
BArginine--tRNA ligase, cytoplasmic (EC 6.1.1.19)protein58853% helix, 11% strandP54136

Ligands and binding sites

  • ARG · Arginine · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16270.770.8345empty
25830.640.7548empty
32900.610.7953ARG, GOL
43140.600.7847empty
51780.590.8240ARG, GOL

Interfaces

1 interface between chains.

  • A–B · 1389 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 4Q2T · Crystal structure of Arginyl-tRNA synthetase complexed with L-arginine · the same entry in another collection · chain A against A, TM-score 1.00
  • P54136 · AlphaFold monomer V2.0 prediction for arginine--tRNA ligase, cytoplasmic (P54136) · a predicted model of the same protein · chain B against A, TM-score 0.99

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