Structure of PDB 4l80 Chain E Binding Site BS02
Receptor Information
>4l80 Chain E (length=344) Species:
1108
(Chloroflexus aurantiacus) [
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RKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQ
VDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWV
LDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPIL
IHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHP
FYGVLADPQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEA
ACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMP
DGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL
Ligand information
Ligand ID
OXL
InChI
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKey
MUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0
C(=O)(C(=O)[O-])[O-]
Formula
C2 O4
Name
OXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain
4l80 Chain E Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
4l80
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.
Resolution
2.008 Å
Binding residue
(original residue number in PDB)
E157 G181 P182 A183 D184 P246 W272
Binding residue
(residue number reindexed from 1)
E156 G180 P181 A182 D183 P242 W268
Annotation score
2
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
GO:0015977
carbon fixation
GO:0043427
carbon fixation by 3-hydroxypropionate cycle
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:4l80
,
PDBe:4l80
,
PDBj:4l80
PDBsum
4l80
PubMed
24206647
UniProt
S5N020
|MCLA_CHLAU Malyl-CoA/beta-methylmalyl-CoA/citramalyl-CoA lyase (Gene Name=mcl)
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