Structure of PDB 7fh7 Chain A Binding Site BS01

Receptor Information
>7fh7 Chain A (length=653) Species: 379530 (Cylindrospermum licheniforme UTEX B 2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLSADEKITESLRSTLSDVLPDQLQTFIRTVLQFSGRPEGANLLTGPNT
EIEFFSQDPNKNFPNIFAKYSNVLTVSSDPNFITSEDEEVKIIWGRHGSD
SLIGFDPGADLVGKRRIDIFLGDFIDEQFNPIPGALNAGKSWSDRFILGD
WQKPYYFEDDETLGLNQSAMILDFNPNEDVIQLHGDRQDYELVNISLGTA
IFWREKKGYDLIGVLGGVSDLSLKGDYFEFKGNTAPKTVLKTAEHIGTAA
NDYIFSSTVDAKGNFYVGGGTGGSLGGRNIGARDAWLAKYDSNGNQRWSR
QFGSTGTESLWGMASDGSNIYVAGNTTGQLENNTVKGGNDAYLAKYDSDG
NQVWIKQNGTYTLEESYKITVDSSGNIYTAGHTFGSLGGPNQNLEQGEVF
ELPSTDGYVAKFDSNGNQLWVAQFGTITLDDNWGVAADNNGNVFAGGNTK
GSFGAKNTGTAGEYDAWLVKLNKDGQTDWVRQFGTPNYDFMWDIETDSLG
DIYATGWTLGDLGGKNAGSYDVWLAKYNTNGNQLWIKQFGTSEDDAPFLD
GIDIDANDNIFLTGNTNGNLGGANAGSYDAWAAKFDKDGNQLWLKQFGTP
DYDTATTVTAVNFGKLYVSGITEGSLGTTNAGSYDSWALKLDADNGEIQD
FNS
Ligand information
Ligand ID4ON
InChIInChI=1S/C18H29FO2/c1-3-4-8-16(19)9-6-5-7-14(2)10-15-11-17(20)13-18(21)12-15/h11-14,16,20-21H,3-10H2,1-2H3/t14-,16+/m0/s1
InChIKeyOSAGUKIZXFZGQI-GOEBONIOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCC[CH](F)CCCC[CH](C)Cc1cc(O)cc(O)c1
CACTVS 3.385CCCC[C@@H](F)CCCC[C@H](C)Cc1cc(O)cc(O)c1
OpenEye OEToolkits 2.0.7CCCCC(CCCCC(C)Cc1cc(cc(c1)O)O)F
OpenEye OEToolkits 2.0.7CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F
FormulaC18 H29 F O2
Name5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
ChEMBL
DrugBank
ZINC
PDB chain7fh7 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7fh7 Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
Resolution1.42 Å
Binding residue
(original residue number in PDB)		V82 R105 T437 L438 K459
Binding residue
(residue number reindexed from 1)		V73 R96 T428 L429 K450
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:7fh7, PDBe:7fh7, PDBj:7fh7
PDBsum7fh7
PubMed
UniProtA0A1Y0K711

[Back to BioLiP]