Structure of PDB 1e6c Chain B Binding Site BS01

Receptor Information
>1e6c Chain B (length=170) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEPIFMVGARGCGMTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVA
AEGWPGFRRRESEALQAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYL
FAPAEELALRLQASLQAHQRPTLTGRPIAEEMEAVLREREALYQDVAHYV
VDATQPPAAIVCELMQTMRL
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 chain1e6c Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e6c Biochemical and X-Ray Crystallographic Studies on Shikimate Kinase: The Important Structural Role of the P-Loop Lysine
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R11 G12 M15 T16
Binding residue
(residue number reindexed from 1)		R11 G12 M15 T16
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.71: shikimate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004765 shikimate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
GO:0016310 phosphorylation
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
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:1e6c, PDBe:1e6c, PDBj:1e6c
PDBsum1e6c
PubMed11369852
UniProtP10880|AROL_DICCH Shikimate kinase 2 (Gene Name=aroL)

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