Structure of PDB 7qw3 Chain CCC Binding Site BS01

Receptor Information
>7qw3 Chain CCC (length=597) Species: 78447 (Corallina pilulifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIPADNLQSRAKASFDTRVAAAELALNRGVVPSFANGEELLYRNPDPDNT
DPSFIASFTKGLPHDDNGAIIDPDDFLAFVRAINSGDEKEIADLTLGPAR
DPETGLPIWRSDLANSLELEVRGWENSSAGLTFDLEGPDAQSIAMPPAPV
LTSPELVAEIAELYLMALGREIEFSEFDSPKNAEYIQFAIDQLNGLEWFN
TPAKLGDPPAEIRRRRGEVTVGNLFRGILPGSEVGPYLSQYIIVGSKQIG
SATVGNKTLVSPNAADEFDGEIAYGSITISQRVRIATPGRDFMTDLKVFL
DVQDAADFRGFESYEPGARLIRTIRDLATWVHFDALYEAYLNACLILLAN
GVPFDPNLPFQQEDKLDNQDVFVNFGSAHVLSLVTEVATRALKAVWYQKF
NIHRRLRPEATGGLISVNKIAAQKGESIFPEVDLAVEELGDILEKAEISN
RKQNIADGDPDPDPSFLLPMAFAEGSPFHPSYGSGHAVVAGACVTILKAF
FDSGIEIDQVFEVDKDEDKLVKSSFKGTLTVAGELNKLADNIAIGRNMAG
VHYFSDQFESLLLGEQVAIGILEEQSLTYGENFFFNLPKFDGTTIQI
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 chain7qw3 Chain CCC Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qw3 R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
Resolution1.78 Å
Binding residue
(original residue number in PDB)		F361 Q363 D365 D368 Q370
Binding residue
(residue number reindexed from 1)		F360 Q362 D364 D367 Q369
Annotation score4
Enzymatic activity
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:7qw3, PDBe:7qw3, PDBj:7qw3
PDBsum7qw3
PubMed
UniProtO81959|PRXV_CORPI Vanadium-dependent bromoperoxidase

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