Structure of PDB 1qhb Chain C Binding Site BS01

Receptor Information
>1qhb Chain C (length=595) Species: 35170 (Corallina officinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIPADNLQSRAKASFDTRVAAAELALARGAVPSFANGEELLYRNSETGDP
SFIGSFTKGLPHDDNGAIIDPDDFLAFVRAINSGDEKEIAALTLGPARDP
ETGLPIWRSDLANSLDLEVRGWENSSAGLTFDLEGPDAQSVAMPPAPVLT
SPELIAEMAELYLMALGRDIEFSEFDSPKNAAFIRSAIERLNGLEWFNTP
AKLGDPPAEIRRRRGEVTVGNLFRGILPGSEVGPYLSQFIIVGSKQIGSA
TVGNKTLVSPNAADEFDGEIAYGSITISQRVRIATPGRDFMTDLKVFLDV
QDAADFRGFESYEPGARLIRTIRDLATWVHFDSLYEAYLNACLILLANGV
PFDPNLPFQQEDKLDNQDVFVNFGSAHVLSLVTEVATRALKAVRYQKFNI
HRRLRPEATGGLISVNKNAFLKSESVFPEVDVLVEELSSILDDSASSNEK
QNIADGDVSPGKSFLLPMAFAEGSPFHPSYGSGHAVVAGACVTILKAFFD
ANFQIDQVFEVDTDEDKLVKSSFPGPLTVAGELNKLADNVAIGRNMAGVH
YFSDQFESLLLGEQIAIGILEEQSLTYGENFFFNLPKFDGTTIQI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1qhb Chain C Residue 3005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1qhb Crystal structure of dodecameric vanadium-dependent bromoperoxidase from the red algae Corallina officinalis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F359 Q361 D363 D366 Q368
Binding residue
(residue number reindexed from 1)		F358 Q360 D362 D365 Q367
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K398 R406 H478 S483 G484 H485 R545 H551 D555
Catalytic site (residue number reindexed from 1) K397 R405 H477 S482 G483 H484 R544 H550 D554
Enzyme Commision number 1.11.1.18: bromide peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0019806 bromide peroxidase activity
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:1qhb, PDBe:1qhb, PDBj:1qhb
PDBsum1qhb
PubMed10843856
UniProtQ8LLW7|PRXV_COROI Vanadium-dependent bromoperoxidase

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