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Crystal structure of RV0819 from mycobacterium tuberculosis mshd- mycothiol synthase coenzyme a complex

Analyse Crystal structure of RV0819 from mycobacterium tuberculosis mshd- mycothiol… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1P0H
Type
protein
Length
290 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein RV0819
UniProt
O53831
Ligands
COA, ACO
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein RV0819protein29036% helix, 28% strandO53831

Ligands and binding sites

  • COA · Coenzyme A · ligand · chains A
  • ACO · Acetyl coenzyme *A · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12470.770.9031ACO
29190.710.7569COA

Compared structures

  • 1P0H · Crystal Structure of Rv0819 from Mycobacterium Tuberculosis MshD-Mycothiol Synthase… · the same entry in another collection · chain A against A, TM-score 1.00

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