GL1X · GenesisL1 explorer

MolNFT v1 · #147332 · protein

Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound

6E9P: “Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound”. X-ray diffraction, 2 ligands (HDJ, MLT). MolNFT v1 #147332 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6E9P
Type
protein
Length
2,602 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P9WFY1, P9WFX9
Ligands
HDJ, MLT

Structure

x-ray diffraction · 7 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein249—P9WFY1
B, D—protein405—P9WFX9
C—protein249—P9WFY1
E—protein246—P9WFY1
F—protein399—P9WFX9
G—protein249—P9WFY1
H—protein400—P9WFX9

Ligands and binding sites

  • HDJ · (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile · ligand · 4 copies · chains A, B, C, D, E, F, G, H
  • MLT · D-malate · ligand · chains B, F
  • FMT · Formic acid · additive · 29 copies · chains B, H, A, C, D, F
  • EDO · 1,2-ethanediol · additive · 13 copies · chains A, B, D, E, F, H, G
  • ACT · Acetate ion · additive · 5 copies · chains A, B, G, H
  • MLA · Malonic acid · additive · 2 copies · chains A, C

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

Compared structures

  • 6E9P · Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059… · the same entry in another collection · chain H against H, TM-score 1.00
  • P9WFY1 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (P9WFY1) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P9WFX9 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (P9WFX9) · a predicted model of the same protein · chain B against A, TM-score 1.00

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