Structure of PDB 6i3q Chain D Binding Site BS01

Receptor Information
>6i3q Chain D (length=467) Species: 713585 (Thioalkalivibrio paradoxus ARh 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYVKVQDFYDQLGKYVLVAPGKFSGTVAATDLSTGWTMAWLAAWNYGDTC
PIMHHMAAFPSPDPYKEFEFVVNTQGGKNLFIYGVPVTVEDPGEGMKIYR
IKYDGTRMNLQRDAAEVSGLGLGVHVTITPEADGYAVGDGQKDICAEFDR
ETDMVRYAWAFDWDPNVKDLKRAWLDGGTMTIKRLKPTLPGGRYDLQGSK
GNKIDWELVPGGELAIEDGKVSGDRPLHSVANDALVFDPRGKWAVASMRL
PGVCVVFDRENQVPVAVLAGPKGTPSQFQLVKVDDDTWTVDIPEVISAGH
QAGFSPDGQSFLFMNSLRQNNIMVWDSSNHDDPTTWEKKAVVESPDWRGA
YPNTFHMVFTPDAKKIYVTMWWPSPTPNGIAVIDAVNWEVLKEVDLGPDM
HTLAITYDGKFVVGTLSGYQNTASAIVVMETETDEVLGFLPSPMGHHDNV
IVPRTLEDLRISRSTTT
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain6i3q Chain D Residue 601 [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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PDB6i3q Trinuclear copper biocatalytic center forms an active site of thiocyanate dehydrogenase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H206 D314 H381
Binding residue
(residue number reindexed from 1)		H125 D233 H300
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6i3q, PDBe:6i3q, PDBj:6i3q
PDBsum6i3q
PubMed32094184
UniProtW0DP94

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