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MolNFT v1 · #107981 · protein

Crystal structure of the first bacterial vanadium dependant iodoperoxidase

4USZ · Vanadium-dependent haloperoxidase: “Crystal structure of the first bacterial vanadium dependant iodoperoxidase”. X-ray diffraction, 2 ligands (NA, VO4), 2 pockets (best druggability 0.49). MolNFT v1 #107981 on GenesisL1: 3D…

PDB
4USZ
Type
protein
Length
415 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vanadium-dependent haloperoxidase
EC
1.11.1.8, 1.11.1.-
UniProt
G0LAH5
Ligands
NA, VO4
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVanadium-dependent haloperoxidase (EC 1.11.1.8, 1.11.1.-)protein41557% helix, 2% strandG0LAH5

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • VO4 · Vanadate ion · ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.490.8220empty
2800.320.7420empty

Compared structures

  • 4USZ · Crystal structure of the first bacterial vanadium dependant iodoperoxidase · the same entry in another collection · chain A against A, TM-score 1.00

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