Structure of PDB 6m2u Chain A

Receptor sequence

>6m2uA (length=518) Species: 1076 (Rhodopseudomonas palustris)

VTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAAL
RAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAYM
LEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDFA
EFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSELY
GRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPDA
VFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGEA
LPAEIGQRFQRHFGLDIVDGIGSTEMLAAFLSNLPDRVRYGTTGWPVPGY
QIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKSG
DKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVVG
VADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAEL
PKTATGKIQRFKLREGVL

3D structure

• PDB: 6m2u Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
• Chain: A
• Resolution: 1.709 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S181 T201 T329 E330 K427 Y432 K512
• Catalytic site (residue number reindexed from 1): S176 T196 T324 E325 K422 Y427 K507

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	AMP	A	G303 E304 A305 D324 G325 I326 G327 T329 D406 R421 K427 Y432	G298 E299 A300 D319 G320 I321 G322 T324 D401 R416 K422 Y427
BS02	F0O	A	Y228 A302 G327 S328 A333	Y223 A297 G322 S323 A328

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0005524 ATP binding
• GO:0016405 CoA-ligase activity
• GO:0016874 ligase activity
• GO:0016878 acid-thiol ligase activity

Biological Process

• GO:0044550 secondary metabolite biosynthetic process

External links

• PDB: RCSB:6m2u, PDBe:6m2u, PDBj:6m2u
• PDBsum: 6m2u
• PubMed: 32397467
• UniProt: Q93TK0