Structure of PDB 5aa6 Chain E Binding Site BS01

Receptor Information
>5aa6 Chain E (length=594) Species: 52969 (Ascophyllum nodosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTVNELADMQTRPLLSGSVCRVRDTVDFLSPTKRAKITFKRRIGIAVGEL
AVGPTCHLNNGDEANIPLFDGQFHKSLPHDDMGRVNPEAYQLLLDCIESN
DINVCDQVPSGVESDGRKLVNPLGGGGHQVDGADSDNIFIKQPDNLLSER
LAAQQAEVYWMALLRDIPFSQFGTNNTVQMAVVNLQGFDAFNGLSISRDA
DGNIDPMQDLFRTDWPGVSSGPMVSQFMLANFDIDGIVVEPKAKTLVPEM
EYMTGVDTWLNIQNGGPPEDTLFVDEPLFIRNGRDLAALSFNDVLYTEAF
RTILIMFNESILAEAGPYGSSTRQEGFTTLGTSHYIHAMAAGSSSTRHAW
YAKWQVHRVLRPEAYGGLLHFVINIDDVPLPASIVSNTELLNAVESLNQA
QNGGTNQVFLLPMAVGEGSPVHPAYPSGHAINLGAYLTVLKAFLGFELGQ
RCFPSPMISNDAGTDRIPFVPSDGDRVGTCINEDGEEEVGLTYEGELNKV
TSNVAIGRSHLGVHWRMDGVFGAEMGEAGAIRRLQQELGGLPEARDTEGP
IPPASYKFRLYSGTMIELFPDNRYMLGDQMCKGFFTGDDFCVPA
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain5aa6 Chain E Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5aa6 Molecular Cloning, Structure, and Reactivity of the Second Bromoperoxidase from Ascophyllum Nodosum.
Resolution2.26 Å
Binding residue
(original residue number in PDB)
K374 R382 P442 H444 S449 G450 H451 R530 H536
Binding residue
(residue number reindexed from 1)
K353 R361 P420 H422 S427 G428 H429 R508 H514
Annotation score1
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

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:5aa6, PDBe:5aa6, PDBj:5aa6
PDBsum5aa6
PubMed
UniProtK7ZUA3

[Back to BioLiP]