Structure of PDB 5erm Chain B Binding Site BS04

Receptor Information
>5erm Chain B (length=314) Species: 1214568 (Diaporthe amygdali) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFKYSEVVEPSTYYTEGLCEGIDVRKSKFTTLEDRGAIRAHEDWNKHIGP
CREYRGTLGPRFSFISVAVPECIPERLEVISYANEFAFLHDDVTDHVGHD
TDIRRAGKKRIQSQLFLEMLAIDPECAKTTMKSWARFVEVGSSRETRFVE
LAKYIPYRIMDVGEMFWFGLVTFGLGLHIPDHELELCRELMANAWIAVGL
QNDIWSWPKERDAATLHGKDHVVNAIWVLMQEHQTDVDGAMQICRKLIVE
YVAKYLEVIEATKNDESISLDLRKYLDAMLYSISGNVVWSLECPRYNPDV
SFNKTQLEWMRQGL
Ligand information
Ligand ID210
InChIInChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyWRUUGTRCQOWXEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCC(O)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(O)(CCN)P(=O)(O)O
OpenEye OEToolkits 1.5.0C(CN)C(O)(P(=O)(O)O)P(=O)(O)O
FormulaC3 H11 N O7 P2
NamePAMIDRONATE;
(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID
ChEMBLCHEMBL834
DrugBankDB00282
ZINCZINC000003812862
PDB chain5erm Chain B Residue 704 [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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PDB5erm Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Resolution2.303 Å
Binding residue
(original residue number in PDB)		D92 R188 N232 S236 K239 E240 R325 Y326
Binding residue
(residue number reindexed from 1)		D91 R158 N202 S206 K209 E210 R295 Y296
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A69 F89 F165 E194 W319
Catalytic site (residue number reindexed from 1) A68 F88 F137 E164 W289
Enzyme Commision number 2.5.1.29: geranylgeranyl diphosphate synthase.
4.2.3.43: fusicocca-2,10(14)-diene synthase.
External links
PDB RCSB:5erm, PDBe:5erm, PDBj:5erm
PDBsum5erm
PubMed26734760
UniProtA2PZA5|FC1_PHOAM Fusicoccadiene synthase (Gene Name=PaFS)

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