Structure of PDB 1p0k Chain A Binding Site BS01

Receptor Information
>1p0k Chain A (length=306) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RETGLDDITFVHVSLPDLALEQVDISTKIGELSSSSPIFINAMTGGGGKL
TYEINKSLARAASQAGIPLAVGSQMSALKDPSERLSYEIVRKENPNGLIF
ANLGSEATAAQAKEAVEMIGANALQIHLNVIQEIFSGALKRIEQICSRVS
VPVIVKEVGFGMSKASAGKLYEAGAAAVDIGGRQISFFNSWGISTAASLA
EIRSEFPASTMIASGGLQDALDVAKAIALGASCTGMAGHFLKALTDSGEE
GLLEEIQLILEELKLIMTVLGARTIADLQKAPLVIKGETHHWLTERGVNT
SSYSVR
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1p0k Chain A Residue 1400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p0k Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G258 M279 A280 G281
Binding residue
(residue number reindexed from 1)		G215 M236 A237 G238
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004452 isopentenyl-diphosphate delta-isomerase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0070402 NADPH binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1p0k, PDBe:1p0k, PDBj:1p0k
PDBsum1p0k
PubMed12798687
UniProtP50740|IDI2_BACSU Isopentenyl-diphosphate delta-isomerase (Gene Name=fni)

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