Structure of PDB 8ih5 Chain E Binding Site BS01

Receptor Information
>8ih5 Chain E (length=688) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTMIDGIRTALRSIGEGEISISAYDTSLVALLKRLDGGDGPQFPSTIDW
IVQNQLPDGSWGDASFFMMGDRIMSTLACVVALKSWNIHTDKCERGLLFI
QENMWRLAHEEEDWMLVGFEIALPSLLDMAKDLDLDIPYDEPALKAIYAE
RERKLAKIPRDVLHSMPTTLLHSLEGMVDLDWEKLLKLRCLDGSFHCSPA
STATAFQQTGDQKCFEYLDGIVKKFNGGVPCIYPLDVYERLWAVDRLTRL
GISRHFTSEIEDCLDYIFRNWTPDGLAHTKNCPVKDIADTAMGFRLLRLY
GYQVDPCVLKKFEKDGKFFCLHGESNPSSVTPMYNTYRASQLKFPGDDGV
LGRAEVFCRSFLQDRRGSNRMKDKWAIAKDIPGEVEYAMDYPWKASLPRI
ETRLYLDQYGGSGDVWIGKVLHRMTLFCNDLYLKAAKADFSNFQKECRVE
LNGLRRWYLRSNLEKFGGTDPQTTLMTSYFLASANIFEANRAAERLGWAR
VALLADAVSSHFRRIGGPKNSTSNLEELISLVPFDDAYSGSLREAWKQWL
MAWTAKESSQESIEGDTAILLVRAIEIFGGRHVLTGQRPDLWEYSQLEQL
TSSICCKLSRRVLAQENGESTEKVEEIDQQVDLEMQELTRRVLQGCSAIN
RLTRETFLHVVKSFCYVAYCSPETIDSHIDKVIFQDVI
Ligand information
Ligand IDGRG
InChIInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
InChIKeyOINNEUNVOZHBOX-QIRCYJPOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.5CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
OpenEye OEToolkits 1.7.5CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C
FormulaC20 H36 O7 P2
NameGERANYLGERANYL DIPHOSPHATE
ChEMBLCHEMBL1229266
DrugBank
ZINCZINC000012495043
PDB chain8ih5 Chain E Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ih5 Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		M194 V196 K233 T248 E403 S404 W454
Binding residue
(residue number reindexed from 1)		M115 V117 K154 T169 E324 S325 W375
Annotation score5
Enzymatic activity
Enzyme Commision number 5.5.1.14: syn-copalyl-diphosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0010333 terpene synthase activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0051498 syn-copalyl diphosphate synthase activity
Biological Process
GO:0006952 defense response
GO:0009686 gibberellin biosynthetic process
GO:0016101 diterpenoid metabolic process
Cellular Component
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ih5, PDBe:8ih5, PDBj:8ih5
PDBsum8ih5
PubMed37932442
UniProtQ0JF02|CPS4_ORYSJ Syn-copalyl diphosphate synthase, chloroplastic (Gene Name=CPS4)

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