Structure of PDB 7tom Chain A Binding Site BS01

Receptor Information

>7tom Chain A (length=498) Species: 2190 (Methanocaldococcus jannaschii)

GSHMEKKTLSLCPICLKRIPATILEEDGKIIIKKTCPEHGEFKDIYWGDA
ELYKKFDKYEFIGKIEVTNTKVKNGCPYDCGLCPNHKSTTILANIDVTNR
CNLNCPICFANANKSGKVYEPSFEDIKRMMENLRKEIPPTPAIQFAGGEP
TVRSDLPELIKLARDMGFLHVQLATNGIKLKNINYLKKLKEAGLSTIYLQ
FDGISEKPYLVARGKNLLPIKQKVIENCKKVGFDSVVLVPTLVRGVNDNE
VGGIIRYAAENVDVVRGINFQPVSFTGRVDEKTLLEGRITIPDFIKLVEE
QTDGEITEEDFYPVPSVAPISVLVEKLTNDRKPTLSSHQHCGTSTYVFVD
EDGKLIPITRFIDVEGFLEIVKEKIEEIDVKVLGEIALKLPSLIDLDKAP
KSVNIKKIIDLILSVLKSDYSALAELHYHMLMISCMHFMDAYNFDVKRVM
RCCIHYATPDDRIIPFCTYNTLHRQEVEEKFSIPLEEWKRMHKIGGED

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 7tom Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tom Discovery, structure and mechanism of a tetraether lipid synthase.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): C9 C12 C33 H36
• Binding residue (residue number reindexed from 1): C12 C15 C36 H39
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.1.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008168 methyltransferase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0032259 methylation

External links

• PDB: RCSB:7tom, PDBe:7tom, PDBj:7tom
• PDBsum: 7tom
• PubMed: 35882349
• UniProt: Q58036|HMPTM_METJA 7,8-dihydro-6-hydroxymethylpterin dimethyltransferase (Gene Name=MJ0619)