Structure of PDB 8bqh Chain A Binding Site BS03

Receptor Information
>8bqh Chain A (length=955) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQTTSICCYCAVGCGLIVHTAKDGQGRAVNVEGDPDHPINEGSLCPKGAS
IFQLGENDQRGTQPLYRAPFSDTWKPVTWDFALTEIAKRIKKTRDASFTE
KNAAGDLVNRTEAIASFGSAAMDNEECWAYGNILRSLGLVYIEHQARICH
SPTVPALAESFGRGAMTNHWNDLANSDCILIMGSNAAENHPIAFKWVLRA
KDKGATLIHVDPRFTRTSARCDVYAPIRSGADIPFLGGLIKYILDNKLYF
TDYVREYTNASLIVGEKFSFKDGLFSGYDAANKKYDKSMWAFELDANGVP
KRDPALKHPRCVINLLKKHYERYNLDKVAAITGTSKEQLQQVYKAYAATG
KPDKAGTIMYAMGWTQHSVGVQNIRAMAMIQLLLGNIGVAGGGVNALRGE
SNVQGSTDQGLLAHIWPGYNPVPNSKAATLELYNAATPQSKDPMSVNWWQ
NRPKYVASYLKALYPDEEPAAAYDYLPRIDAGRKLTDYFWLNIFEKMDKG
EFKGLFAWGMNPACGGANANKNRKAMGKLEWLVNVNLFENETSSFWKGPG
MNPAEIGTEVFFLPCCVSIEKEGSVANSGRWMQWRYRGPKPYAETKPDGD
IMLDMFKKVRELYAKEGGAYPAPIAKLNIADWEEHNEFSPTKVAKLMNGY
FLKDTEVGGKQFKKGQQVPSFAFLTADGSTCSGNWLHAGSFTDAGNLMAR
RDKTQTPEQARIGLFPNWSFCWPVNRRILYNRASVDKTGKPWNPAKAVIE
WKDGKWVGDVVDGGGDPGTKHPFIMQTHGFGALYGPGREEGPFPEHYEPL
ECPVSKNPFSKQLHNPVAKAVCDPRYPFIGTTYRVTEHWQTGLMTRRCAW
LVEAEPQIFCEISKELAKLRGIGNGDTVKVSSLRGALEAVAIVTERIRPF
KIEGVDVHMVGLPWHYGWMVPKNGGDTANLLTPSAGDPNTGIPETKAFMV
DVRKV
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 chain8bqh 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

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PDB8bqh Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		C50 C53 V55 C57 L87 C88 G91 P234 I235
Binding residue
(residue number reindexed from 1)		C7 C10 V12 C14 L44 C45 G48 P191 I192
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:8bqh, PDBe:8bqh, PDBj:8bqh
PDBsum8bqh
PubMed36613918
UniProtQ72EJ1

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