Structure of PDB 4l9y Chain E Binding Site BS01

Receptor Information
>4l9y Chain E (length=265) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDD
KAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLD
QIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEE
IAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPW
HWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAI
HPKQVALANEVFTPS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4l9y Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l9y The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.
Resolution2.102 Å
Binding residue
(original residue number in PDB)		E141 D168
Binding residue
(residue number reindexed from 1)		E140 D167
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.3.24: malyl-CoA lyase.
4.1.3.25: (S)-citramalyl-CoA lyase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0043959 L-erythro-3-methylmalyl-CoA lyase activity
GO:0046872 metal ion binding
GO:0047777 (S)-citramalyl-CoA lyase activity
GO:0050083 malyl-CoA lyase activity
Biological Process
GO:0006107 oxaloacetate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4l9y, PDBe:4l9y, PDBj:4l9y
PDBsum4l9y
PubMed24206647
UniProtQ3J5L6|MCAL_CERS4 L-malyl-CoA/beta-methylmalyl-CoA lyase (Gene Name=mcl1)

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