Structure of PDB 2ycl Chain A Binding Site BS02

Receptor Information

>2ycl Chain A (length=442) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901)

GLTGLEIYKHLPKKNCKECGQPTCLAFAMQIAAGKAGLDACPYVSDEAKE
LLESASAPPVALIKVGKGEKVLEIGHETVLFRHDKRFEHPCGLAILVEDT
LSEGEIKERVEKINKLVFDRVGQMHSVNLVALKGSSQDAATFAKAVATAR
EVTDLPFILIGTPEQLAAALETEGANNPLLYAATADNYEQMVELAKKYNV
PLTVSAKGLDALAELVQKITALGYKNLILDPQPENISEGLFYQTQIRRLA
IKKLFRPFGYPTIAFALDENPYQAVMEASVYIAKYAGIIVLNTVEPADIL
PLITLRLNIYTDPQKPIAVEPKVYEILNPGPDAPVFITTNFSLTYFCVAG
DVEGARIPAYILPVDTDGTSVLTAWAAGKFTPEKIAQFLKESGIAEKVNH
RKAILPGGVAVLSGKLQELSGWEILVGPRESSGINSFIKQRW

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 2ycl Chain A Residue 1443

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ycl Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-Coa Pathway
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): K15 N16 C17 K18 C20 C25 F28 C42
• Binding residue (residue number reindexed from 1): K14 N15 C16 K17 C19 C24 F27 C41
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• 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:0044237 cellular metabolic process
• GO:0046356 acetyl-CoA catabolic process

External links

• PDB: RCSB:2ycl, PDBe:2ycl, PDBj:2ycl
• PDBsum: 2ycl
• PubMed: 21640123
• UniProt: Q3ACS3