Structure of PDB 5t5i Chain B Binding Site BS01

Receptor Information

>5t5i Chain B (length=430) Species: 866790 (Methanothermobacter sp. CaT2)

MEYVKNVVCPFCGTLCDDIICKVEGNEIVGTINACRIGHSKFVHAEGAMR
YKKPLIRKNGEFVEVSYDEAIDKAAKILAESKRPLMYGWSCTECEAQAVG
VELAEEAGAVIDNTASVCHGPSVLALQDVGYPICTFGEVKNRADVVVYWG
CNPMHAHPRHMSRNVFARGFFRERGRSDRTLIVVDPRKTDSAKLADIHLQ
LDFDRDYELLDAMRACLLGHEILYDEVAGVPREQIEEAVEVLKNAQFGIL
FFGMGITHSRGKHRNIDTAIMMVQDLNDYAKWTLIPMRGHYNVTGFNQVC
TWESGYPYCVDFSGGEPRYNPGETGANDLLQNREADAMMVIASDPGAHFP
QRALERMAEIPVIAIEPHRTPTTEMADIIIPPAIVGMEAEGTAYRMEGVP
IRMKKVVDSDLLSDREILERLLEKVREYKA

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: 5t5i Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5t5i The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): C9 F11 C12 L15 C16 C35 P158 R159
• Binding residue (residue number reindexed from 1): C9 F11 C12 L15 C16 C35 P158 R159
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): I37 C118 H119 R288
• Catalytic site (residue number reindexed from 1): I37 C118 H119 R288

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0018493 formylmethanofuran dehydrogenase activity
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0015948 methanogenesis

External links

• PDB: RCSB:5t5i, PDBe:5t5i, PDBj:5t5i
• PDBsum: 5t5i
• PubMed: 27846502
• UniProt: T2GJQ6