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MolNFT v1 · #107687 · protein

Characterization of a novel transaminase from pseudomonas sp. strain aac

4UHN · Omega amino acid-pyruvate aminotransferase: “Characterization of a novel transaminase from pseudomonas sp. strain aac”. X-ray diffraction, 3 ligands (PLP, MG, NA), 4 pockets (best druggability 0.69). MolNFT v1 #107687 on GenesisL1…

PDB
4UHN
Type
protein
Length
435 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Omega amino acid-pyruvate aminotransferase
EC
2.6.1.18
UniProt
A0A081YAY5
Ligands
PLP, MG, NA
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOmega amino acid-pyruvate aminotransferase (EC 2.6.1.18)protein43540% helix, 18% strandA0A081YAY5

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • NA · Sodium ion · metal · chains A
  • GOL · Glycerol · additive · chains A
  • ACY · Acetic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16910.690.7769GOL, PLP
24140.650.7836empty
3610.650.9418empty
4710.320.7523empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 4UHN · Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC · the same entry in another collection · chain A against A, TM-score 1.00

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