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MolNFT v1 · #113108 · protein

The crystal structure of the GST-like domains complex of eprs C92SC105SC123S mutant-AIMP2

5A5H · Bifunctional GLUTAMATE/PROLINE--tRNA ligase: “The crystal structure of the GST-like domains complex of eprs C92SC105SC123S mutant-AIMP2”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #113108 on GenesisL1: 3D…

PDB
5A5H
Type
protein
Length
1,480 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bifunctional GLUTAMATE/PROLINE--tRNA ligase; Aminoacyl tRNA synthase complex-interacting…
EC
6.1.1.15, 6.1.1.17
UniProt
P07814, Q13155
Pockets
20 · best druggability 0.72

Structure

x-ray diffraction · 6 distinct chains · 48% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EBifunctional GLUTAMATE/PROLINE--tRNA ligase (EC 6.1.1.15, 6.1.1.17)protein16854% helix, 13% strandP07814
BAminoacyl tRNA synthase complex-interacting multifunctiona L protein 2protein21042% helix, 13% strandQ13155
DAminoacyl tRNA synthase complex-interacting multifunctiona L protein 2protein21348% helix, 13% strandQ13155
FAminoacyl tRNA synthase complex-interacting multifunctiona L protein 2protein19545% helix, 14% strandQ13155
GBifunctional GLUTAMATE/PROLINE--tRNA ligase (EC 6.1.1.15, 6.1.1.17)protein16954% helix, 12% strandP07814
HAminoacyl tRNA synthase complex-interacting multifunctiona L protein 2protein18949% helix, 14% strandQ13155

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18290.720.7796empty
23150.610.7832empty
32510.600.8035empty
41740.580.8126empty
51640.580.8226empty

Interfaces

11 interfaces between chains.

  • A–B · 1133 Ų buried · 14 hydrogen bonds · protein-protein
  • G–H · 1075 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1069 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 1017 Ų buried · 8 hydrogen bonds · protein-protein
  • A–G · 557 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 5A5H · The crystal structure of the GST-like domains complex of EPRS C92SC105SC123S mutant-AIMP2 · the same entry in another collection · chain H against H, TM-score 1.00
  • P07814 · AlphaFold monomer V2.0 prediction for bifunctional GLUTAMATE/PROLINE --tRNA ligase… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q13155 · AlphaFold monomer V2.0 prediction for aminoacyl tRNA synthase complex-interacting… · a predicted model of the same protein · chain F against A, TM-score 0.97

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