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Chloroperoxidase bromide complex

Analyse Chloroperoxidase bromide complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CIV
Type
protein
Length
299 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chloroperoxidase
EC
1.11.1.10
UniProt
P04963
Ligands
HEM, MAN, NAG, BMA, MN, BR
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloroperoxidase (EC 1.11.1.10)protein29939% helix, 5% strandP04963

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • MAN · alpha-D-mannopyranose · sugar · 12 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • MN · Manganese (II) ion · metal · chains A
  • BR · Bromide ion · ion · 5 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13810.830.9156HEM, MAN
2500.260.7417BR

Modifications

Observed in the structure: 14 glycan, 1 disulfide, 1 modified (O-glycosylation, N-glycosylation, disulfide, cyclization).

Compared structures

  • 2CIV · Chloroperoxidase bromide complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P04963 · AlphaFold monomer V2.0 prediction for chloroperoxidase (P04963) · a predicted model of the same protein · chain A against A, TM-score 1.00

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