Structure of PDB 7ao2 Chain B Binding Site BS01

Receptor Information
>7ao2 Chain B (length=293) Species: 67327 (Streptomyces melanosporofaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSSVRPYLEECTRRFQEMFDRHVVTRPTKVELTDAELREVIDDCNAAVAP
LGKTVSDERWISYVGVVLWSQSPRHIKDMEAFKAVCVLNCVTFVWDDMDP
ALHDFGLFLPQLRKICEKYYGPEDAEVAYEAARAFVTSDHMFRDSPIKAA
LCTTSPEQYFRFRVTDIGVDFWMKMSYPIYRHPEFTEHAKTSLAARMTTR
GLTIVNDFYSYDREVSLGQITNCFRLCDVSDETAFKEFFQARLDDMIEDI
ECIKAFDQLTQDVFLDLIYGNFVGTTSNKRYKTAVNDVNSRIQ
Ligand information
Ligand IDAHD
InChIInChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4
InChIKeyOGSPWJRAVKPPFI-UHFFFAOYSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN
CACTVS 3.370NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O
ACDLabs 12.01[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-]
FormulaC4 H9 N O7 P2
Name4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE;
ALENDRONATE;
FOSAMAX (TM)
ChEMBL
DrugBank
ZINC
PDB chain7ao2 Chain B Residue 402 [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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PDB7ao2 The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F107 D110 R177 I181 N220 S224 R227 E228 R294 Y295
Binding residue
(residue number reindexed from 1)		F93 D96 R163 I167 N206 S210 R213 E214 R280 Y281
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.146: cyclooctat-9-en-7-ol synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ao2, PDBe:7ao2, PDBj:7ao2
PDBsum7ao2
PubMed33289561
UniProtC9K1X5|COTB2_STRMJ Cyclooctat-9-en-7-ol synthase (Gene Name=CotB2)

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