Structure of PDB 8yu6 Chain B Binding Site BS02

Receptor Information
>8yu6 Chain B (length=466) Species: 2602750 (Pelomicrobium methylotrophicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTKIEEFYAQFGKYILLVPGKFTGTVAAHDLSTGRTLAWLAGWNYGDTNP
IMHHMAAFPSPDPYKGFEFIVNTQGGKNLFIYGIPTTVKEPGEGFNIYRV
RYDGTKFNLVSNIAEKTGLGLGVHVTATPDGKGFAVADGQKDIFAEFDLA
TESVRTAFLVDWKPNNSDLKRAWLEGGTMTITRLKPTLPGGKYDYTGTKG
CKIDWELVPGGELFLEEGKVTGTRQTNVVALDAFVYDPRGRWGALSARLP
GVAIIFDRQDWEPVVALVGAKGEPSSLPVKKVASDTWEIKMDKVVTPAHQ
AGFSPDGKNFLFMNGVRQNNIMVWDTSNHADPTKWTKKAVVEDPGWRGSY
PNTFHMVFTPDGRKVYVTLWWPSPTPNGIAVVDARNWKLLKSVDIGPDMQ
TLAITYDGKYVVGVFSGYQKTASGIVIMDTKSDEVVGILPSVGGHHDCVI
VPKTVEDLRCSRCTTT
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 chain8yu6 Chain B Residue 605 [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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PDB8yu6 The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate
Resolution1.55 Å
Binding residue
(original residue number in PDB)		K68 H100 H493
Binding residue
(residue number reindexed from 1)		K21 H53 H446
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:8yu6, PDBe:8yu6, PDBj:8yu6
PDBsum8yu6
PubMed
UniProtA0A5C7ETD9

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