Structure of PDB 8q9y Chain A Binding Site BS01

Receptor Information
>8q9y 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 IDTOU
InChIInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKeyUMGDCJDMYOKAJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=S)(N)N
CACTVS 3.341NC(N)=S
ACDLabs 10.04S=C(N)N
FormulaC H4 N2 S
NameTHIOUREA
ChEMBLCHEMBL260876
DrugBank
ZINCZINC000008437745
PDB chain8q9y Chain A Residue 602 [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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PDB8q9y Structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum at atomic resolution
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H100 H101 H171 H346 H447 H493
Binding residue
(residue number reindexed from 1)		H58 H59 H129 H304 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:8q9y, PDBe:8q9y, PDBj:8q9y
PDBsum8q9y
PubMed
UniProtA0A5C7ETD9

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