Structure of PDB 1qxo Chain B Binding Site BS02

Receptor Information
>1qxo Chain B (length=388) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRYLTAGESHGPRLTAIIEGIPAGLPLTAEDINEDLRRRQGGYGRGGRMK
IENDQVVFTSGVRHGKTTGAPITMDVINKDHQKWLDIMSAEDIEDRLKSK
RKITHPRPGHADLVGGIKYRFDDLRNSLERSSARETTMRVAVGAVAKRLL
AELDMEIANHVVVFGGKEIDVPENLTVAEIKQRAAQSEVSIVNQEREQEI
KDYIDQIKRDGDTIGGVVETVVGGVPVGLGSYVQWDRKLDARLAQAVVSI
NAFKGVEFGLGFEAGYRKGSQVMDEILWSKEDGYTRRTNNLGGFEGGMTN
GQPIVVRGVMKPIPTLYKPLMSVDIETHEPYKATVERSDPTALPAAGMVM
EAVVATVLAQEILEKFSSDNLEELKEAVAKHRDYTKNY
Ligand information
Ligand IDEPS
InChIInChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1
InChIKeyQUTYKIXIUDQOLK-PRJMDXOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O
CACTVS 3.341O[C@H]1[C@@H](CC(=C[C@H]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O
CACTVS 3.341O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O
ACDLabs 10.04O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O/C(C(=O)O)=C)C1
FormulaC10 H13 O10 P
Name5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID;
5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE
ChEMBLCHEMBL317037
DrugBank
ZINC
PDB chain1qxo Chain B Residue 5002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qxo The structure of chorismate synthase reveals a novel flavin binding site fundamental to a unique chemical reaction
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R39 R45 R48 M49 H110 S132 A133 R134 R337
Binding residue
(residue number reindexed from 1)		R39 R45 R48 M49 H110 S132 A133 R134 R337
Annotation score5
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:1qxo, PDBe:1qxo, PDBj:1qxo
PDBsum1qxo
PubMed14656434
UniProtP0A2Y6|AROC_STRPN Chorismate synthase (Gene Name=aroC)

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