Structure of PDB 2eb5 Chain C Binding Site BS02

Receptor Information
>2eb5 Chain C (length=261) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFDKHTHTLIAQRLDQAEKQREQIRAISLDYPEITIEDAYAVQREWVRLK
IAEGRTLKGHKIGLTSKAMQASSQISEPDYGALLDDMFFHDGSDIPTDRF
IVPRIEVELAFVLAKPLRGPNCTLFDVYNATDYVIPALELIDARCHNIPR
KVFDTISDNAANAGVILGGRPIKPDELDLRWISALMYRNGVIEETGVAAG
VLNHPANGVAWLANKLAPYDVQLEAGQIILGGSFTRPVPARKGDTFHVDY
GNMGSISCRFV
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain2eb5 Chain C Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2eb5 Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K61 G63 L64 E106 S239
Binding residue
(residue number reindexed from 1)		K61 G63 L64 E106 S233
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.77: 2-oxo-3-hexenedioate decarboxylase.
4.2.1.80: 2-oxopent-4-enoate hydratase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008684 2-oxopent-4-enoate hydratase activity
GO:0016829 lyase activity
GO:0018817 2-oxo-hept-3-ene-1,7-dioate hydratase activity
GO:0034856 2-hydroxyhexa-2,4-dienoate hydratase activity
GO:0046872 metal ion binding
GO:0047437 4-oxalocrotonate decarboxylase activity
Biological Process
GO:0009056 catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2eb5, PDBe:2eb5, PDBj:2eb5
PDBsum2eb5
PubMed17559873
UniProtQ46982

[Back to BioLiP]