Structure of PDB 7x2x Chain A Binding Site BS02

Receptor Information
>7x2x Chain A (length=340) Species: 2011797 (Leptobacillium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKLPLPQRLLHDWANGSWVENISVRPNGNLLVSTSTPDGSVWQIKEPWKD
QPEVELVYNFDQWVDRLIGIGETTPDKYVVVGSRFYSTDPMSSHVDRTFA
AMELDFSGSANKDKPAVRLIAWFPDAHLLQGVAALPWDRTKVLISDQYLL
RPRAAPQKDWTPARGQVWTLDTVTGAHEVVFANDTALDTTYRHGYDVGIN
GIKIRRDWLYWVNSDDGNIYRLKIDKTGHAVPPAKPEVVAFQDTIWDDFT
FGPEHEDTIWATGFNAIFAASPQGKVVTVNGVGTSDNGIMPGPTACAFGR
SPHDRNILYVTGNMGEIPVDIEHVHLKGWVRAIDTTGFHF
Ligand information
Ligand ID80N
InChIInChI=1S/C15H24O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h5,7,9-10,14,16H,6,8,11H2,1-4H3/b10-5+,12-7+,13-9+/t14-/m1/s1
InChIKeyBKFWFEFTVNGGAQ-YKRGQYNGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1=CC[CH](O)C(=CCC(C)(C)C=CC1)C
OpenEye OEToolkits 2.0.7CC1=CCC(C(=CCC(C=CC1)(C)C)C)O
CACTVS 3.385C\C1=C/C[C@@H](O)\C(=C\CC(C)(C)/C=C/C1)C
OpenEye OEToolkits 2.0.7C/C/1=C\C[C@H](/C(=C/CC(/C=C/C1)(C)C)/C)O
FormulaC15 H24 O
Name (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol
ChEMBL
DrugBank
ZINC
PDB chain7x2x Chain A 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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PDB7x2x Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction
Resolution1.58 Å
Binding residue
(original residue number in PDB)		W46 P118 Y176 Y223 M342
Binding residue
(residue number reindexed from 1)		W18 P90 Y148 Y195 M314
Annotation score1
External links