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MolNFT v1 · #77106 · protein

Crystal structure of 4-aminobutyrate aminotransferase gabt from mycobacterium marinum covalently bound to pyridoxal phosphate

3R4T: “Crystal structure of 4-aminobutyrate aminotransferase gabt from mycobacterium marinum covalently bound to…”. X-ray diffraction, 2 ligands (NA, CL), 2 pockets (best druggability 0.56). MolNFT v1 #77106 on GenesisL1: 3D structure…

PDB
3R4T
Type
protein
Length
444 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4-aminobutyrate aminotransferase gabt
UniProt
B2HN70
Ligands
NA, CL
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4-aminobutyrate aminotransferase gabtprotein44441% helix, 17% strandB2HN70

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 4 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13270.560.7547CL
21470.460.7727empty

Modifications

Observed in the structure: 1 modified (cofactor).

Compared structures

  • 3R4T · Crystal structure of 4-aminobutyrate aminotransferase GabT from Mycobacterium marinum… · the same entry in another collection · chain A against A, TM-score 1.00

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