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Structure of tRNA-dependent amidotransferase gatcab complexed with ADP-ALF4

Analyse Structure of tRNA-dependent amidotransferase gatcab complexed with ADP-ALF4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2G5I
Type
protein
Length
993 residues
Chains
3
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.-
UniProt
P63488, P64201, P68807
Ligands
ADP, MG
Pockets
11 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamyl-TRNA(GLN) amidotransferase subunit a (EC 6.3.5.-)protein48542% helix, 14% strandP63488
BASPARTYL/GLUTAMYL-TRNA(ASN/GLN) amidotransferase subunit B (EC 6.3.5.-)protein41033% helix, 22% strandP64201
CASPARTYL/GLUTAMYL-TRNA(ASN/GLN) amidotransferase subunit C (EC 6.3.5.-)protein9836% helix, 8% strandP68807

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains B
  • MG · Magnesium ion · metal · chains B

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

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111800.700.7583MG, ADP
21910.500.7734empty
31680.470.7619empty
4790.440.8114empty
51040.440.7826empty

Interfaces

3 interfaces between chains.

  • A–C · 2744 Ų buried · 24 hydrogen bonds · protein-protein
  • B–C · 1903 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 1423 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 2G5I · Structure of tRNA-Dependent Amidotransferase GatCAB complexed with ADP-AlF4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P63488 · 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 1.00
  • P64201 · 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 0.94
  • P68807 · AlphaFold monomer V2.0 prediction for ASPARTYL/GLUTAMYL-TRNA(ASN/GLN) amidotransferase… · a predicted model of the same protein · chain C against A, TM-score 0.87

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