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MolNFT v1 · #135100 · protein

Crystal structure of aat D222T mutant

5TOR · Aspartate aminotransferase, cytoplasmic: “Crystal structure of aat D222T mutant”. X-ray diffraction, 11 pockets (best druggability 0.72). MolNFT v1 #135100 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TOR
Type
protein
Length
826 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aspartate aminotransferase, cytoplasmic
EC
2.6.1.1, 2.6.1.3
UniProt
P00503
Pockets
11 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAspartate aminotransferase, cytoplasmic (EC 2.6.1.1, 2.6.1.3)protein41446% helix, 13% strandP00503
BAspartate aminotransferase, cytoplasmic (EC 2.6.1.1, 2.6.1.3)protein41245% helix, 13% strandP00503

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17470.720.7872empty
21470.720.9129empty
35430.710.8045empty
41080.590.8518empty
51110.490.8017empty

Interfaces

1 interface between chains.

  • A–B · 3431 Ų buried · 56 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (cofactor).

Compared structures

  • 5TOR · Crystal structure of AAT D222T mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P00503 · AlphaFold monomer V2.0 prediction for aspartate aminotransferase, cytoplasmic (P00503) · a predicted model of the same protein · chain B against A, TM-score 0.99

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