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MolNFT v1 · #75308 · protein

Crystal structure of the sporulation inhibitor PXO1-118 from bacillus anthracis

3PMD · Conserved domain protein: “Crystal structure of the sporulation inhibitor PXO1-118 from bacillus anthracis”. X-ray diffraction, 2 ligands (11A, CL), 1 pocket (best druggability 0.80). MolNFT v1 #75308 on GenesisL1: 3D structure…

PDB
3PMD
Type
protein
Length
153 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Conserved domain protein
UniProt
Q44635
Ligands
11A, CL
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConserved domain proteinprotein15376% helix, 0% strandQ44635

Ligands and binding sites

  • 11A · Undecanoic acid · ligand · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.800.983111A, CL

Compared structures

  • 3PMD · Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis · the same entry in another collection · chain A against A, TM-score 1.00

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