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MolNFT v1 · #65868 · protein

Crystal structure of para-aminobenzoate synthetase, component I from cytophaga hutchinsonii

3H9M · P-aminobenzoate synthetase, component I: “Crystal structure of para-aminobenzoate synthetase, component I from cytophaga hutchinsonii”. X-ray diffraction, 2 pockets (best druggability 0.67). MolNFT v1 #65868 on GenesisL1: 3D…

PDB
3H9M
Type
protein
Length
399 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
P-aminobenzoate synthetase, component I
EC
4.1.3.-
UniProt
Q11U39
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AP-aminobenzoate synthetase, component I (EC 4.1.3.-)protein39931% helix, 32% strandQ11U39

Ligands and binding sites

  • DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains A
  • PGE · Triethylene glycol · 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
13570.670.8136empty
21180.410.7629empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 3H9M · Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga… · the same entry in another collection · chain A against A, TM-score 1.00

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