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MolNFT v1 · #57859 · protein + RNA

Crystal structure of the glutamine transamidosome from thermotoga maritima in the glutamylation state.

3AL0 · Glutamyl-TRNA(GLN) amidotransferase subunit a: “Crystal structure of the glutamine transamidosome from thermotoga maritima in the glutamylation state.”. X-ray diffraction, 2 ligands (GSU, ZN), 20 pockets (best druggability 0.80).…

PDB
3AL0
Type
protein + RNA
Length
1,592 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamyl-TRNA(GLN) amidotransferase subunit a; ASPARTYL/GLUTAMYL-TRNA(ASN/GLN)…
EC
6.3.5.7, 6.3.5.-, 6.1.1.17
UniProt
Q9X0Z9, Q9X100, Q9WY94, Q9X2I8
Ligands
GSU, ZN
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamyl-TRNA(GLN) amidotransferase subunit a (EC 6.3.5.7)protein47233% helix, 9% strandQ9X0Z9
BASPARTYL/GLUTAMYL-TRNA(ASN/GLN) amidotransferase subunit B (EC 6.3.5.-)protein48234% helix, 15% strandQ9X100
CGlutamyl-TRNA(GLN) amidotransferase subunit C,LINKER, glutamate--tRNA ligase 2 (EC 6.3.5.-, 6.1.1.17)protein56438% helix, 10% strandQ9WY94, Q9X2I8
ETrnaglnrna74——

Ligands and binding sites

  • GSU · O5'-(L-glutamyl-sulfamoyl)-adenosine · ligand · chains C, E
  • ZN · Zinc ion · metal · chains B

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13380.800.9038GSU
2700.730.9616empty
32560.710.8545empty
43000.690.8344empty
5990.680.9121empty

Interfaces

5 interfaces between chains.

  • A–C · 2849 Ų buried · 20 hydrogen bonds · protein-protein
  • C–E · 2462 Ų buried · 50 hydrogen bonds · protein-nucleic
  • B–C · 2083 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 1348 Ų buried · 15 hydrogen bonds · protein-protein
  • B–E · 1250 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

  • 3AL0 · Crystal structure of the glutamine transamidosome from Thermotoga maritima in the… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9X0Z9 · AlphaFold monomer V2.0 prediction for glutamyl-TRNA(GLN) amidotransferase subunit a… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9X2I8 · AlphaFold monomer V2.0 prediction for glutamate--tRNA ligase 2 (Q9X2I8) · a predicted model of the same protein · chain C against A, TM-score 0.81
  • Q9X100 · AlphaFold monomer V2.0 prediction for ASPARTYL/GLUTAMYL-TRNA(ASN/GLN) amidotransferase… · a predicted model of the same protein · chain B against A, TM-score 0.81
  • Q9WY94 · AlphaFold monomer V2.0 prediction for glutamyl-TRNA(GLN) amidotransferase subunit C… · a predicted model of the same protein · chain C against A, TM-score 0.16

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