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Crystal structure of arginyl-tRNA synthetase from klebsiella pneumoniae subsp. pneumoniae

Analyse Crystal structure of arginyl-tRNA synthetase from klebsiella pneumoniae subsp.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GDZ
Type
protein
Length
423 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arginyl-tRNA synthetase
EC
6.1.1.19
UniProt
A6TB43
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AArginyl-tRNA synthetase (EC 6.1.1.19)protein10645% helix, 18% strandA6TB43
BArginyl-tRNA synthetase (EC 6.1.1.19)protein10748% helix, 18% strandA6TB43
CArginyl-tRNA synthetase (EC 6.1.1.19)protein10648% helix, 18% strandA6TB43
DArginyl-tRNA synthetase (EC 6.1.1.19)protein10446% helix, 18% strandA6TB43

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, D, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12130.670.8533empty
21130.420.7720empty
3560.250.7211empty

Interfaces

5 interfaces between chains.

  • B–C · 717 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 623 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 372 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 133 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 17 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3GDZ · Crystal structure of arginyl-tRNA synthetase from Klebsiella pneumoniae subsp. pneumoniae · the same entry in another collection · chain D against D, TM-score 1.00
  • A6TB43 · AlphaFold monomer V2.0 prediction for arginine--tRNA ligase (A6TB43) · a predicted model of the same protein · chain D against A, TM-score 0.95

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