Structure of PDB 3r4i Chain A Binding Site BS01

Receptor Information

>3r4i Chain A (length=321) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ALTPAEVLFDPAVLPACDHYAGSEKLMLKSLALQQQLGPVFDITLDCEDG
AQVGREAQHAELVASLLGSEHDRFGRVGVRIHDFDHAHWRDDVRLILRAA
KRAPAYITLPKIRHVHDAAEMVAFIEATRRELGIAQPVPVQLLVETHGAL
TRVFDLAALPGVEALSFGLMDFVSAHDGAIPDTAMRSPGQFDHPLVRRAK
LEISAACHAYGKVPSHNVSTEVRDMSVVANDAARARNEFGYTRMWSIHPA
QIEAIVAAFAPRDEEITTATEILLAAQSAQWGPTRYHDTLHDRASYRYYW
SVLRRAQATGRAVPQDAAPLF

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

3r4i Chain A Residue 341 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3r4i Crystal structure of a Citrate lyase (Bxe_B2899) from BURKHOLDERIA XENOVORANS LB400 at 2.24 A resolution
Resolution	2.24 Å
Binding residue (original residue number in PDB)	E151 D177
Binding residue (residue number reindexed from 1)	E145 D171
Annotation score	1

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

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Molecular Function

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Biological Process

External links

PDB	RCSB:3r4i, PDBe:3r4i, PDBj:3r4i
PDBsum	3r4i
PubMed
UniProt	Q13S43

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