Structure of PDB 5f2n Chain B Binding Site BS02

Receptor Information

>5f2n Chain B (length=356) Species: 216594 (Mycobacterium marinum M)

VVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIA
DYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTL
ADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPA
GAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVV
LTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAE
KDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGF
ARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLAS
LVLAKR

Ligand information

• Ligand ID: 5UF
• InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
• InChIKey: FYSSBMZUBSBFJL-VIFPVBQESA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: CCCCCCC[C@@H](CC(=O)O)O
  CACTVS 3.385: CCCCCCC[CH](O)CC(O)=O
  OpenEye OEToolkits 2.0.4: CCCCCCCC(CC(=O)O)O
  CACTVS 3.385: CCCCCCC[C@H](O)CC(O)=O
• Formula: C10 H20 O3
• Name: (3~{S})-3-oxidanyldecanoic acid;
  Myrmicacin;
  3-hydroxydecanoic acid
• ZINC: ZINC000002019244
• PDB chain: 5f2n Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5f2n Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Q31 Q154 W155 M214 A315
• Binding residue (residue number reindexed from 1): Q20 Q143 W144 M203 A304
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008168 methyltransferase activity
• GO:0008757 S-adenosylmethionine-dependent methyltransferase activity

Biological Process

• GO:0032259 methylation

External links

• PDB: RCSB:5f2n, PDBe:5f2n, PDBj:5f2n
• PDBsum: 5f2n
• PubMed: 26526103
• UniProt: B2HHT4