Structure of PDB 1com Chain I Binding Site BS01

Receptor Information
>1com Chain I (length=114) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRGIRGATTVERDTEEEILQKTKQLLEKIIEENHTKPEDVVQMLLSATP
DLHAVFPAKAVRELSGWQYVPVTCMQEMDVTGGLKKCIRVMMTVQTDVPQ
DQIRHVYLEKAVVL
Ligand information
Ligand IDPRE
InChIInChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+
InChIKeyFPWMCUPFBRFMLH-XGAOUMNUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O
OpenEye OEToolkits 1.5.0C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
CACTVS 3.341O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O
CACTVS 3.341O[CH]1C=C[C](CC(=O)C(O)=O)(C=C1)C(O)=O
FormulaC10 H10 O6
NamePREPHENIC ACID
ChEMBL
DrugBankDB08427
ZINCZINC000100036740
PDB chain1com Chain G Residue 229 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1com The monofunctional chorismate mutase from Bacillus subtilis. Structure determination of chorismate mutase and its complexes with a transition state analog and prephenate, and implications for the mechanism of the enzymatic reaction.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F57 A59 V73 T74 C75
Binding residue
(residue number reindexed from 1)		F56 A58 V72 T73 C74
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R7 R63 C75 E78 R90 Y108
Catalytic site (residue number reindexed from 1) R6 R62 C74 E77 R89 Y107
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0016853 isomerase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0046417 chorismate metabolic 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:1com, PDBe:1com, PDBj:1com
PDBsum1com
PubMed8046752
UniProtP19080|AROH_BACSU Chorismate mutase AroH (Gene Name=aroH)

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