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MolNFT v1 · #139374 · protein

Crystal structure of mycobacterium tuberculosis hisb bound with an inhibitor

5XDS · Imidazoleglycerol-phosphate dehydratase: “Crystal structure of mycobacterium tuberculosis hisb bound with an inhibitor”. X-ray diffraction, 3 ligands (83O, MN, CL). MolNFT v1 #139374 on GenesisL1: 3D structure, binding sites and…

PDB
5XDS
Type
protein
Length
191 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Imidazoleglycerol-phosphate dehydratase
EC
4.2.1.19
UniProt
P9WML9
Ligands
83O, MN, CL

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImidazoleglycerol-phosphate dehydratase (EC 4.2.1.19)protein19137% helix, 32% strandP9WML9

Ligands and binding sites

  • 83O · (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid · ligand · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Compared structures

  • 5XDS · Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WML9 · AlphaFold monomer V2.0 prediction for imidazoleglycerol-phosphate dehydratase (P9WML9) · a predicted model of the same protein · chain A against A, TM-score 0.99

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