Structure of PDB 1um0 Chain D Binding Site BS02

Receptor Information
>1um0 Chain D (length=365) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTLGRFLRLTTFGESHGDVIGGVLDGMPSGIKIDYALLENEMKRRQGGR
NVFITPRKEDDKVEITSGVFEDFSTGTPIGFLIHNQRARSKDYDNIKNLF
RPSHADFTYFHKYGIRDFRGGGRSSARESAIRVAAGAFAKMLLREIGIVC
ESGIIEIGGIKAKNYDFNHALKSEIFALDEEQEEAQKTAIQNAIKNHDSI
GGVALIRARSIKTNQKLPIGLGQGLYAKLDAKIAEAMMGLNGVKAVEIGK
GVESSLLKGSEYNDLMDQKGFLSNRSGGVLGGMSNGEEIIVRVHFKPTPS
IFQPQRTIDINGNECECLLKGRHDPCIAIRGSVVCESLLALVLADMVLLN
LTSKIEYLKTIYNEN
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 chain1um0 Chain D Residue 4400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1um0 Crystal structure of chorismate synthase: a novel FMN-binding protein fold and functional insights
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S103 H104 R123 S125 N241 G242 K296 T298 P299 S300 I327 R330
Binding residue
(residue number reindexed from 1)		S103 H104 R123 S125 N241 G242 K296 T298 P299 S300 I327 R330
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.5: chorismate synthase.
Gene Ontology
Molecular Function
GO:0004107 chorismate synthase activity
GO:0010181 FMN binding
GO:0016829 lyase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1um0, PDBe:1um0, PDBj:1um0
PDBsum1um0
PubMed15095868
UniProtP56122|AROC_HELPY Chorismate synthase (Gene Name=aroC)

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