Structure of PDB 7bkd Chain A Binding Site BS01

Receptor Information
>7bkd Chain A (length=664) Species: 323259 (Methanospirillum hungatei JF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEPRIGVFVCHCGTNIAGSMSIDDVVNYAKTLPYVAVADQYQYMCSTPGQ
KKIDDAIKEYNLTGVVVAACSPRLHEPTFRTATKEGGLNPFRFEMANIRE
QNSWVHMHGMWDEATQKAKDQVRMAVAKAAKLEDLVPKSVPVEKTAMVVG
GGVAGMQAALDLASAGIKTYLIERTPTIGGRMSQLDKTFPTLDCSQCILT
PKMVDVGRHPNIEMMTYTEVEKVEGYIGNFDVTLRKKARGVLTPTEATAK
GIVGGGCNGCGDCSAVCPVIKPNPFEMGMAPRKAIYIYHAQVMPLIYTVD
FDSCVKCGLCVEACGDKKAIDLEMQDEFITVKVGTAVLATGYELFPIENK
REWGYKQFDNVINALEFERLICASGPTGGHLVRPSDGKTPMKVGFVLCAG
SRDNTGIGKPYCSRFCCMYSLKHAHQIMEKIPGAVAYLFYMDIRSFGKMY
EEFYYRIQHEGAKFIRGRVANVLEDKETKNLHVFTEDTLLGRPVDVEVDL
LVLAAAVQPNEGANELRKKFGVSASQDGWMLEAHPKLNPCGTTTAGVFLA
GVCQGPKDIPDTVAQAEGAASAASIPIHMGEVELEPYFAMCIDELCAGCG
MCVNLCPYSALSLGEKNGRTVMVVTEAKCKGCGTCGGFCPGGAIKMQHFT
TPQIVAQIDAFFAG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7bkd Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7bkd Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L401 C402 C416 S417 R418 C420 C421 R448
Binding residue
(residue number reindexed from 1)		L397 C398 C412 S413 R414 C416 C417 R444
Annotation score4
Enzymatic activity
Enzyme Commision number 1.8.-.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7bkd, PDBe:7bkd, PDBj:7bkd
PDBsum7bkd
PubMed34516836
UniProtQ2FKZ1

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