Structure of PDB 5er8 Chain A Binding Site BS03

Receptor Information
>5er8 Chain A (length=294) Species: 1214568 (Diaporthe amygdali) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFKYSEVVEPSTYYTEGLCEGIDVRKSKFTTLEDRGAIRAHEDWNKHIGP
CREYRGTLGPRFSFISVAVPECIPERLEVISYANEFAFLHDDVTDGKKRI
QSQLFLEMLAIDPECAKTTMKSWARTRFVELAKYIPYRIMDVGEMFWFGL
VTFGLGLHIPDHELELCRELMANAWIAVGLQNDIWSWPKERDAATLHGKD
HVVNAIWVLMQEHQTDVDGAMQICRKLIVEYVAKYLEVIEATKNDESISL
DLRKYLDAMLYSISGNVVWSLECPRYNPDVSFNKTQLEWMRQGL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5er8 Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5er8 Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R188 N232 S236 E240
Binding residue
(residue number reindexed from 1)		R138 N182 S186 E190
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A69 F89 E194 W319
Catalytic site (residue number reindexed from 1) A68 F88 E144 W269
Enzyme Commision number 2.5.1.29: geranylgeranyl diphosphate synthase.
4.2.3.43: fusicocca-2,10(14)-diene synthase.
External links
PDB RCSB:5er8, PDBe:5er8, PDBj:5er8
PDBsum5er8
PubMed26734760
UniProtA2PZA5|FC1_PHOAM Fusicoccadiene synthase (Gene Name=PaFS)

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