Structure of PDB 5lhm Chain A Binding Site BS04

Receptor Information

>5lhm Chain A (length=213) Species: 34 (Myxococcus xanthus)

LTQSVLQYIRDSSVRDNDILRDLREETSKLPMQIPPEQGQLLSLLVRLIG
ARKTLEVGVFTGYSTLCTALALPADGRVIACDLSEEWVSIARRYWQRAGV
ADRIEVRLGDAHHSLEALVGSEHRGTFDLAFIDADKESYDFYYEHALRLV
RPGGLIILDNTLWSGKVADPSVVGDPETDSLRRINAKLLTDERVDLSMLP
IADGLTLARKRKL

Ligand information

• Ligand ID: BU3
• InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
• InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]([C@@H](C)O)O
  CACTVS 3.341: C[C@@H](O)[C@@H](C)O
  ACDLabs 10.04: OC(C)C(O)C
  OpenEye OEToolkits 1.5.0: CC(C(C)O)O
  CACTVS 3.341: C[CH](O)[CH](C)O
• Formula: C4 H10 O2
• Name: (R,R)-2,3-BUTANEDIOL
• ZINC: ZINC000000901616
• PDB chain: 5lhm Chain A Residue 1005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lhm Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity.
• Resolution: 1.31 Å
• Binding residue (original residue number in PDB): R16 D17 D22
• Binding residue (residue number reindexed from 1): R10 D11 D16
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D142 K145 D168 N169
• Catalytic site (residue number reindexed from 1): D133 K136 D159 N160

Gene Ontology

Molecular Function

• GO:0008168 methyltransferase activity
• GO:0008171 O-methyltransferase activity
• GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0032259 methylation

External links

• PDB: RCSB:5lhm, PDBe:5lhm, PDBj:5lhm
• PDBsum: 5lhm
• PubMed: 27990630
• UniProt: Q50859