Structure of PDB 3r4i Chain C Binding Site BS01

Receptor Information
>3r4i Chain C (length=320) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPAEVLFDPAVLPACDHYAGSEKLMLKSLALQQQLGPVFDITLDCEDGA
QVGREAQHAELVASLLGSEHDRFGRVGVRIHDFDHAHWRDDVRLILRAAK
RAPAYITLPKIRHVHDAAEMVAFIEATRRELGIAQPVPVQLLVETHGALT
RVFDLAALPGVEALSFGLMDFVSAHDGAIPDTAMRSPGQFDHPLVRRAKL
EISAACHAYGKVPSHNVSTEVRDMSVVANDAARARNEFGYTRMWSIHPAQ
IEAIVAAFAPRDEEITTATEILLAAQSAQWGPTRYHDTLHDRASYRYYWS
VLRRAQATGRAVPQDAAPLF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3r4i Chain C Residue 343 [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]
PDB3r4i Crystal structure of a Citrate lyase (Bxe_B2899) from BURKHOLDERIA XENOVORANS LB400 at 2.24 A resolution
Resolution2.24 Å
Binding residue
(original residue number in PDB)		E151 D177
Binding residue
(residue number reindexed from 1)		E144 D170
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.3.6: citrate (pro-3S)-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008815 citrate (pro-3S)-lyase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047777 (S)-citramalyl-CoA lyase activity
Biological Process
GO:0106064 regulation of cobalamin metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3r4i, PDBe:3r4i, PDBj:3r4i
PDBsum3r4i
PubMed
UniProtQ13S43

[Back to BioLiP]