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Structure of PDB 6ob5 Chain D Binding Site BS01

Receptor Information
>6ob5 Chain D (length=151) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLGRKLLEAARAGQDDEVRILMANGADVNAADNTGTTPLHLAAYSGHLE
IVEVLLKHGADVDASDVFGFTPLGLAALWGHLEIVEVLLKHGNAMGSDGW
TPLHAAAKFGYLEIVEVLLKHGADVNAQDKRGKTPFDLAIDNGNEDIAEV
L
Ligand information
Ligand IDFPP
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
InChIKeyVWFJDQUYCIWHTN-YFVJMOTDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C)C)C)(OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
FormulaC15 H28 O7 P2
NameFARNESYL DIPHOSPHATE
ChEMBLCHEMBL69330
DrugBankDB07780
ZINCZINC000012494625
PDB chain6ob5 Chain D Residue 201 [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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PDB6ob5 Computational design of a modular protein sense-response system.
Resolution2.208 Å
Binding residue
(original residue number in PDB)		L89 W114 K122 L152
Binding residue
(residue number reindexed from 1)		L78 W100 K108 L138
Annotation score4
Binding affinityMOAD: Kd=6.1uM
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