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MolNFT v1 · #189615 · protein

Structure of aminotransferase

7VNO · 454AA long hypothetical 4-aminobutyrate aminotransferase: “Structure of aminotransferase”. X-ray diffraction, 1 ligand (PLP), 6 pockets (best druggability 0.76). MolNFT v1 #189615 on GenesisL1: 3D structure, binding sites and…

PDB
7VNO
Type
protein
Length
904 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
454AA long hypothetical 4-aminobutyrate aminotransferase
UniProt
O50131
Ligands
PLP
Pockets
6 · best druggability 0.76

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B454AA long hypothetical 4-aminobutyrate aminotransferaseprotein45240% helix, 18% strandO50131

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14720.760.8471PLP
23200.750.8751PLP
31430.490.7824empty
4730.320.7417GOL
5610.310.7514empty

Interfaces

1 interface between chains.

  • A–B · 5187 Ų buried · 84 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 7VNO · Structure of aminotransferase · the same entry in another collection · chain A against A, TM-score 1.00

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