Structure of PDB 6l3n Chain D Binding Site BS01

Receptor Information

>6l3n Chain D (length=420) Species: 42198 (Actinosynnema pretiosum subsp. auranticum)

VPVPVPVAVSGATTAGLRAQAARLAGHLRERPALGPEAVARPLLLSRAQR
ERRAVVVAADRDSLLTGLDALAGGEAGPRLASGAADVTGRVVLVFPGQGA
HWTGVAERLWREAPVFADSMARCADVLRDLAGWELREVLVDPVALERVDV
LQPVSFAVVVSLAALWASVGVRPDAVVGHSQGEVAAAHVAGALTLAEAAR
IVVLRSALIARELSGRGAMLTVVADVERVTALLAGFEGRVCVAAVNGPAS
VTVSGEDGAVREFERVLSARRMLRWRLPGVDFAGHSPQVDALRAELLAAL
GDIASREPEIPLLSTVTGEPATRLDAEHWYRNLREPVRFADAVTALLDRG
HRVFVEVSPHPVLTTSVVDLAAPHRTAVVGTLRRDEGGLDRFLLSAAELH
VRGVPVDLARHAGAGTAEVP

Ligand information

• Ligand ID: DXX
• InChI: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
• InChIKey: ZIYVHBGGAOATLY-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: CC(C(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)C(=O)O
  ACDLabs 10.04: O=C(O)C(C(=O)O)C
• Formula: C4 H6 O4
• Name: METHYLMALONIC ACID
• ChEMBL: CHEMBL1232416
• DrugBank: DB04183
• ZINC: ZINC000000901289
• PDB chain: 6l3n Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6l3n Structural and Biochemical Insight into the Recruitment of Acyl Carrier Protein-Linked Extender Units in Ansamitocin Biosynthesis.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): Q98 S180 Q181 F282 H285
• Binding residue (residue number reindexed from 1): Q98 S180 Q181 F282 H285
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Q98 S180 Q181 R205 H285 N332
• Catalytic site (residue number reindexed from 1): Q98 S180 Q181 R205 H285 N332

Gene Ontology

Molecular Function

• GO:0016740 transferase activity

External links

• PDB: RCSB:6l3n, PDBe:6l3n, PDBj:6l3n
• PDBsum: 6l3n
• PubMed: 31777147
• UniProt: A0A1U9Y7T8