Structure of PDB 7bkb Chain e Binding Site BS01

Receptor Information

>7bkb Chain e (length=411) Species: 323259 (Methanospirillum hungatei JF-1)

AAKGDMLYAWAKDAEIQKKGECGGAVTALLKHALETKMVDAVVAIKKGKD
LYDAVPTVITNPEDIIQTAGSLHCGTLLIPKLIKKYLNGAKDMKLAVTCK
GCDAMAFYELAKRNQINLDNIIMIGVNCGGSVSPVTARKMISNKFGVDPD
TVHKEEIDKGQFIIEYEGGHKGIKIDELEEEGYGRRSNCRRCKMKIPRQA
DIAAGNWGVIGDKAGKATFLEICSEKGANLVNSAQSKGALEISPADPKGI
DIRAKVEKAMFNLGDEWRHRDFEGMGKGKDRLKLMMSESSKCIKCYACVE
ACPICYCIECSTKKPWYIAPGVLPTSFMFHLIRFAHVSDSCINCGQCEEL
CPMEIPNALFMHSQQVEIEKMFGHIPGQDMTPPIHAFVEEKAERARLDAT
GTDSIYTNIFT

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: 7bkb Chain e Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bkb Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
• Resolution: 3.5 Å
• Binding residue (original residue number in PDB): C306 C308 C311 S312 H337
• Binding residue (residue number reindexed from 1): C305 C307 C310 S311 H336
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.2.99.-

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0051536 iron-sulfur cluster binding
• GO:0052592 oxidoreductase activity, acting on CH or CH2 groups, with an iron-sulfur protein as acceptor

External links

• PDB: RCSB:7bkb, PDBe:7bkb, PDBj:7bkb
• PDBsum: 7bkb
• PubMed: 34516836
• UniProt: Q2FME3