Structure of PDB 4l9z Chain E Binding Site BS02

Receptor Information
>4l9z Chain E (length=313) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDK
AQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQ
IMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEI
AASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWH
WAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIH
PKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIAS
IKQAEVIVRQAEM
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 chain4l9z Chain E Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l9z 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.
Resolution2.011 Å
Binding residue
(original residue number in PDB)		R76 E141 G165 A167 D168 P223
Binding residue
(residue number reindexed from 1)		R74 E139 G163 A165 D166 P221
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4l9z, PDBe:4l9z, PDBj:4l9z
PDBsum4l9z
PubMed24206647
UniProtQ3J5L6|MCAL_CERS4 L-malyl-CoA/beta-methylmalyl-CoA lyase (Gene Name=mcl1)

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