Structure of PDB 1p0n Chain A Binding Site BS01

Receptor Information
>1p0n Chain A (length=305) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETGLDDITFVHVSLPDLALEQVDISTKIGELSSSSPIFINAMTGGGGKLT
YEINKSLARAASQAGIPLAVGSQMSALKDPSERLSYEIVRKENPNGLIFA
NLGSEATAAQAKEAVEMIGANALQIHLNVIQEIFSGALKRIEQICSRVSV
PVIVKEVGFGMSKASAGKLYEAGAAAVDIGGRQISFFNSWGISTAASLAE
IRSEFPASTMIASGGLQDALDVAKAIALGASCTGMAGHFLKALTDSGEEG
LLEEIQLILEELKLIMTVLGARTIADLQKAPLVIKGETHHWLTERGVNTS
SYSVR
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain1p0n Chain A Residue 669 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p0n Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N61 M63 T64 G92 S93 N122 K184 G258 A280 G281
Binding residue
(residue number reindexed from 1)		N40 M42 T43 G71 S72 N101 K155 G214 A236 G237
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:1p0n, PDBe:1p0n, PDBj:1p0n
PDBsum1p0n
PubMed12798687
UniProtP50740|IDI2_BACSU Isopentenyl-diphosphate delta-isomerase (Gene Name=fni)

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