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MolNFT v1 · #173505 · protein

Virulence-associated protein vapb from the intracellular pathogen rhodococcus equi

7B1Z · Virulence associated protein vapb: “Virulence-associated protein vapb from the intracellular pathogen rhodococcus equi”. X-ray diffraction, 1 ligand (NO3), 2 pockets (best druggability 0.57). MolNFT v1 #173505 on GenesisL1: 3D…

PDB
7B1Z
Type
protein
Length
218 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Virulence associated protein vapb
UniProt
B4F366
Ligands
NO3
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 72% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BVirulence associated protein vapbprotein1096% helix, 72% strandB4F366

Ligands and binding sites

  • NO3 · Nitrate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 5 copies · chains A, B

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
1720.570.8826empty
2650.300.7420GOL

Interfaces

1 interface between chains.

  • A–B · 762 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7B1Z · Virulence-associated protein VapB from the intracellular pathogen Rhodococcus equi · the same entry in another collection · chain A against A, TM-score 1.00

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