Structure of PDB 8rca Chain A Binding Site BS03

Receptor Information
>8rca Chain A (length=967) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELQKLQWAKQTTSICCYCAVGCGLIVHTAKDGQGRAVNVEGDPDHPINEG
SLCPKGASIFQLGENDQRGTQPLYRAPFSDTWKPVTWDFALTEIAKRIKK
TRDASFTEKNAAGDLVNRTEAIASFGSAAMDNEECWAYGNILRSLGLVYI
EHQARICHSPTVPALAESFGRGAMTNHWNDLANSDCILIMGSNAAENHPI
AFKWVLRAKDKGATLIHVDPRFTRTSARCDVYAPIRSGADIPFLGGLIKY
ILDNKLYFTDYVREYTNASLIVGEKFSFKDGLFSGYDAANKKYDKSMWAF
ELDANGVPKRDPALKHPRCVINLLKKHYERYNLDKVAAITGTSKEQLQQV
YKAYAATGKPDKAGTIMYAMGWTQHSVGVQNIRAMAMIQLLLGNIGVAGG
GVNALRGESNVQGSTDQGLLAHIWPGYNPVPNSKAATLELYNAATPQSKD
PMSVNWWQNRPKYVASYLKALYPDEEPAAAYDYLPRIDAGRKLTDYFWLN
IFEKMDKGEFKGLFAWGMNPACGGANANKNRKAMGKLEWLVNVNLFENET
SSFWKGPGMNPAEIGTEVFFLPCCVSIEKEGSVANSGRWMQWRYRGPKPY
AETKPDGDIMLDMFKKVRELYAKEGGAYPAPIAKLNIADWEEHNEFSPTK
VAKLMNGYFLKDTEVGGKQFKKGQQVPSFAFLTADGSTCSGNWLHAGSFT
DAGNLMARRDKTQTPEQARIGLFPNWSFCWPVNRRILYNRASVDKTGKPW
NPAKAVIEWKDGKWVGDVVDGGGDPGTKHPFIMQTHGFGALYGPGREEGP
FPEHYEPLECPVSKNPFSKQLHNPVAKAVCDPRYPFIGTTYRVTEHWQTG
LMTRRCAWLVEAEPQIFCEISKELAKLRGIGNGDTVKVSSLRGALEAVAI
VTERIRPFKIEGVDVHMVGLPWHYGWMVPKNGGDTANLLTPSAGDPNTGI
PETKAFMVDVRKVWSHP
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 chain8rca Chain A Residue 1103 [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]
PDB8rca Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Resolution1.664 Å
Binding residue
(original residue number in PDB)		C50 C53 V55 C57 L87 C88 G91 P234 I235
Binding residue
(residue number reindexed from 1)		C15 C18 V20 C22 L52 C53 G56 P199 I200
Annotation score4
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8rca, PDBe:8rca, PDBj:8rca
PDBsum8rca
PubMed39148770
UniProtQ72EJ1

[Back to BioLiP]