Structure of PDB 4l80 Chain E

Receptor sequence

>4l80E (length=344) Species: 1108 (Chloroflexus aurantiacus)

RKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQ
VDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWV
LDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPIL
IHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHP
FYGVLADPQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEA
ACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMP
DGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL

3D structure

• 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.
• Chain: E
• Resolution: 2.008 Å

Enzymatic activity

• Enzyme Commision number: 4.1.3.24: malyl-CoA lyase.
  4.1.3.25: (S)-citramalyl-CoA lyase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	1VU	E	H32 F33 K40 I41 R44 R92 L274 P276	H31 F32 K39 I40 R43 R91 L270 P272
BS02	OXL	E	E157 G181 P182 A183 D184 P246 W272	E156 G180 P181 A182 D183 P242 W268
BS03	MG	E	E157 D184	E156 D183
BS04	1VU	E	M316 D318	M312 D314

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

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)