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Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6

Analyse Psychrophilic aromatic amino acids aminotransferase from psychrobacter sp. B6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RKC
Type
protein
Length
796 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aromatic amino acid aminotransferase
EC
2.6.1.57
UniProt
C7E5X4
Ligands
PMP, MG, NO3
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAromatic amino acid aminotransferase (EC 2.6.1.57)protein39847% helix, 12% strandC7E5X4

Ligands and binding sites

  • PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • NO3 · Nitrate ion · ion · 10 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14630.720.8267NO3, PMP
23090.700.8451NO3, PMP
3870.450.8122MG
4530.380.8117empty
51020.380.7524empty

Interfaces

1 interface between chains.

  • A–B · 3278 Ų buried · 48 hydrogen bonds · protein-protein

Compared structures

  • 4RKC · Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 · the same entry in another collection · chain B against B, TM-score 1.00

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