Structure of PDB 8you Chain A Binding Site BS01

Receptor Information
>8you Chain A (length=471) Species: 2602750 (Pelomicrobium methylotrophicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMARTTKIEEFYAQFGKYILLVPGKFTGTVAAHDLSTGRTLAWLAGWNY
GDTNPIMHHMAAFPSPDPYKGFEFIVNTQGGKNLFIYGIPTTVKEPGEGF
NIYRVRYDGTKFNLVSNIAEKTGLGLGVHVTATPDGKGFAVADGQKDIFA
EFDLATESVRTAFLVDWKPNNSDLKRAWLEGGTMTITRLKPTLPGGKYDY
TGTKGCKIDWELVPGGELFLEEGKVTGTRQTNVVALDAFVYDPRGRWGAL
SARLPGVAIIFDRQDWEPVVALVGAKGEPSSLPVKKVASDTWEIKMDKVV
TPAHQAGFSPDGKNFLFMNGVRQNNIMVWDTSNHADPTKWTKKAVVEDPG
WRGSYPNTFHMVFTPDGRKVYVTLWWPSPTPNGIAVVDARNWKLLKSVDI
GPDMHTLAITYDGKYVVGVFSGYQKTASGIVIMDTKSDEVVGILPSVGGH
HDCVIVPKTVEDLRCSRCTTT
Ligand information
Ligand IDSEK
InChIInChI=1S/CHNSe/c2-1-3/h3H/p-1
InChIKeyCRDYSYOERSZTHZ-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Se-]
ACDLabs 10.04
CACTVS 3.341		[Se-]C#N
FormulaC N Se
NameSELENOCYANATE ION
ChEMBL
DrugBank
ZINC
PDB chain8you Chain A 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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PDB8you The pmTcDH complex structure with an inhibitor SeCN
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H101 H171 H346 H402 H447 H493
Binding residue
(residue number reindexed from 1)		H59 H129 H304 H360 H405 H451
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8you, PDBe:8you, PDBj:8you
PDBsum8you
PubMed
UniProtA0A5C7ETD9

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