Structure of PDB 1dxe Chain B Binding Site BS01

Receptor Information
>1dxe Chain B (length=253) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVFPNKFKAALAAKQVQIGCWSALSNPISTEVLGLAGFDWLVLDGEHAPN
DISTFIPQLMALKGSASAPVVRVPTNEPVIIKRLLDIGFYNFLIPFVETK
EEAELAVASTRYPPEGIRGVSVSHRANMFGTVADYFAQSNKNITILVQIE
SQQGVDNVDAIAATEGVDGIFVGPSDLAAALGHLGNASHPDVQKAIQHIF
NRASAHGKPSGILAPVEADARRYLEWGATFVAVGSDLGVFRSATQKLADT
FKK
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 chain1dxe Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dxe Crystal Structures of the Metal-Dependent 2-Dehydro-3-Deoxy-Galactarate Aldolase Suggest a Novel Reaction Mechanism.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W24 R75 G176
Binding residue
(residue number reindexed from 1)		W21 R72 G173
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H50 R75 D89 E153 D179
Catalytic site (residue number reindexed from 1) H47 R72 D86 E150 D176
Enzyme Commision number 4.1.2.20: 2-dehydro-3-deoxyglucarate aldolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008672 2-dehydro-3-deoxyglucarate aldolase activity
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
GO:0061677 2-dehydro-3-deoxy-D-gluconate aldolase activity
Biological Process
GO:0019394 glucarate catabolic process
GO:0042838 D-glucarate catabolic process
GO:0046392 galactarate catabolic 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:1dxe, PDBe:1dxe, PDBj:1dxe
PDBsum1dxe
PubMed10921867
UniProtP23522|GARL_ECOLI 5-keto-4-deoxy-D-glucarate aldolase (Gene Name=garL)

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