Structure of PDB 7bke Chain A Binding Site BS01

Receptor Information

>7bke Chain A (length=447) Species: 323259 (Methanospirillum hungatei JF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KSVPVEKTAMVVGGGVAGMQAALDLASAGIKTYLIERTPTIGGRMSQLDK
TFPTLDCSQCILTPKMVDVGRHPNIEMMTYTEVEKVEGYIGNFDVTLRKK
ARGVLTPTEATAKGIVGGGCNGCGDCSAVCPVIKPNPFEMGMAPRKAIYI
YHAQVMPLIYTVDFDSCVKCGLCVEACGDKKAIDLEMQDEFITVKVGTAV
LATGYELFPIENKREWGYKQFDNVINALEFERLICASGPTGGHLVRPSDG
KTPMKVGFVLCAGSRDNTGIGKPYCSRFCCMYSLKHAHQIMEKIPGAVAY
LFYMDIRSFGKMYEEFYYRIQHEGAKFIRGRVANVLEDKETKNLHVFTED
TLLGRPVDVEVDLLVLAAAVQPNEGANELRKKFGVSASQDGWMLEAHPKL
NPCGTTTAGVFLAGVCQGPKDIPDTVAQAEGAASAASIPIHMGEVEL

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	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

ChEMBL

DrugBank

ZINC

PDB chain

7bke Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7bke Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	C402 S405 R406 C416 S417 R418 C420 C421
Binding residue (residue number reindexed from 1)	C261 S264 R265 C275 S276 R277 C279 C280
Annotation score	4

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:7bke, PDBe:7bke, PDBj:7bke
PDBsum	7bke
PubMed	34516836
UniProt	Q2FKZ1

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