Structure of PDB 8cm5 Chain R Binding Site BS03

Receptor Information
>8cm5 Chain R (length=973) 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
FPEHYEPLECPVSKNPFSKQLHNPVAFQIEGEKKAVADPRYPFIGTTYRV
TEHWQTGLMTRRCAWLVEAEPQIFCEISKELAKLRGIGNGDTVKVSSLRG
ALEAVAIVTERIRPFKIEGVDVHMVGLPWHYGWMVPKNGGDTANLLTPSA
GDPNTGIPETKAFMVDVRKVWSH
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 chain8cm5 Chain R Residue 1105 [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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PDB8cm5 W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide
Resolution2.15 Å
Binding residue
(original residue number in PDB)		C50 Y52 C53 V55 C57 L87 C88 P234 I235
Binding residue
(residue number reindexed from 1)		C15 Y17 C18 V20 C22 L52 C53 P199 I200
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0047111 formate dehydrogenase (cytochrome-c-553) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
GO:0045333 cellular respiration
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cm5, PDBe:8cm5, PDBj:8cm5
PDBsum8cm5
PubMed37985883
UniProtQ72EJ1

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