Structure of PDB 5aa6 Chain F Binding Site BS01

Receptor Information

>5aa6 Chain F (length=594) Species: 52969 (Ascophyllum nodosum)

QTVNELADMQTRPLLSGSVCRVRDTVDFLSPTKRAKITFKRRIGIAVGEL
AVGPTCHLNNGDEANIPLFDGQFHKSLPHDDMGRVNPEAYQLLLDCIESN
DINVCDQVPSGVESDGRKLVNPLGGGGHQVDGADSDNIFIKQPDNLLSER
LAAQQAEVYWMALLRDIPFSQFGTNNTVQMAVVNLQGFDAFNGLSISRDA
DGNIDPMQDLFRTDWPGVSSGPMVSQFMLANFDIDGIVVEPKAKTLVPEM
EYMTGVDTWLNIQNGGPPEDTLFVDEPLFIRNGRDLAALSFNDVLYTEAF
RTILIMFNESILAEAGPYGSSTRQEGFTTLGTSHYIHAMAAGSSSTRHAW
YAKWQVHRVLRPEAYGGLLHFVINIDDVPLPASIVSNTELLNAVESLNQA
QNGGTNQVFLLPMAVGEGSPVHPAYPSGHAINLGAYLTVLKAFLGFELGQ
RCFPSPMISNDAGTDRIPFVPSDGDRVGTCINEDGEEEVGLTYEGELNKV
TSNVAIGRSHLGVHWRMDGVFGAEMGEAGAIRRLQQELGGLPEARDTEGP
IPPASYKFRLYSGTMIELFPDNRYMLGDQMCKGFFTGDDFCVPA

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 5aa6 Chain F Residue 800

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5aa6 Molecular Cloning, Structure, and Reactivity of the Second Bromoperoxidase from Ascophyllum Nodosum.
• Resolution: 2.26 Å
• Binding residue (original residue number in PDB): K374 R382 H444 S449 G450 H451 R530 H536
• Binding residue (residue number reindexed from 1): K353 R361 H422 S427 G428 H429 R508 H514
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K374 R382 H444 S449 G450 H451 R530 H536 D540
• Catalytic site (residue number reindexed from 1): K353 R361 H422 S427 G428 H429 R508 H514 D518
• Enzyme Commision number: 1.11.1.18: bromide peroxidase.

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity

Biological Process

• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:5aa6, PDBe:5aa6, PDBj:5aa6
• PDBsum: 5aa6
• UniProt: K7ZUA3