Structure of PDB 6sji Chain B Binding Site BS01

Receptor Information
>6sji Chain B (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
QTLAITYDGKFVVGTLSGYQNTASAIVVMETETDEVLGFLPSPMGHHDNV
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 chain6sji Chain B 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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PDB6sji Trinuclear copper biocatalytic center forms an active site of thiocyanate dehydrogenase.
Resolution1.8 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 ?
External links