Structure of PDB 6m2t Chain A

Receptor sequence

>6m2tA (length=518) Species: 1076 (Rhodopseudomonas palustris)

VTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAAL
RAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAYM
LEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDFA
EFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSELY
GRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPDA
VFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGEA
LPAEIGQRFQRHFGLDIVDGIGSTEMLAAFLSNLPDRVRYGTTGWPVPGY
QIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKSG
DKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVVG
VADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAEL
PKTATGKIQRFKLREGVL

3D structure

• PDB: 6m2t The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
• Chain: A
• Resolution: 2.14 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 G325 I326 S328 T329 D406 R421 K427 Y432	G298 E299 A300 G320 I321 S323 T324 D401 R416 K422 Y427
BS02	6V9	A	Y228 G327 S328 A333	Y223 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:6m2t, PDBe:6m2t, PDBj:6m2t
• PDBsum: 6m2t
• UniProt: Q93TK0