Structure of PDB 8bqs Chain AD Binding Site BS01

Receptor Information
>8bqs Chain AD (length=441) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYGNLKDQDRIFTNLYRDGDPFVKGALKRGDWHQTKEILSNGPEWIIDEI
KKSGLRGRGGAGFLSGLKYSFMPKVNPDGRPSYLVINSDESEPGTCKDRE
ILRNDPHKLVEGALVVGFSMRARAAYIYIRGEFWVEANILQQAIDEAYAK
GFIGKNACGSGYDFDVYIHRGAGAYICGEETGLIESIEGKAGQPRVKPPF
PANAGLYGCPTTVTNVETVAVCPTIMRRGASWFASFGRPNNAGTKLYCIS
GHVNNPCTVEEEMSIPLRELLEKHCGGVRGGWDNLLAVIPGGSSVPMMPK
NVCDDVLMDFDALKAVGSGLGTAAVIVMDKSTDPIDAILRLSKFYKHESC
GQCTPCREGTGWIVDVMERLLVGNADYAEIDMLQQVTQQIEMHTICALGD
AAAWPVQGLIKNFREEIEDRIDSYHAKHPQLKKSRKSNPQI
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 chain8bqs Chain AD Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8bqs Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I206 C380 G381 Q382 C383 C386 T424 C426 L428
Binding residue
(residue number reindexed from 1)		I176 C350 G351 Q352 C353 C356 T394 C396 L398
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bqs, PDBe:8bqs, PDBj:8bqs
PDBsum8bqs
PubMed
UniProtQ23KE4

[Back to BioLiP]