Structure of PDB 7np8 Chain D Binding Site BS06

Receptor Information
>7np8 Chain D (length=620) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYEWKLNEIVDSGVCARCGTCTIVCPNGILTFDERPKLIDECLRKGHGMC
FEVCPRVSSAKYQIKIREKFYEKYYYAKSDIEGQDGGVVTAFLKYLLENG
KIDGAIVVGDECWKPVSLVVQNAEDLLKTAKSKYAISTLDALRKAGEMGL
EKVAVVGLPCQINGLRKLQYFPYHAKHDLELGRNGKPVKLPKIEYLIGLF
CTEKFRYDNMKEVLSKHGIDIEKVEKFDIKKGKLLVYVNGEKKEFDLKEF
EICSGCKMCRDFDAEMADVSVGCVGSPDGYSTIIIRTEKGEEIKNAVELK
EGVNLEEIEKLRQLKLKRFKKEVERRRENNEYVSFYWTADYGGIGKRADG
TYFIRVRAKPGGWYKPEEIKEILDIAEEYNAKIKVTDRAGYELHGISGFD
VEDIVLRLREKGLLTGSEGPLVRATLACPGGGNCSSGLVDTTELARIIED
NFKERPAPYKFKIAISGCPNGCVRPQVHDIGIAGVKYPKVNEEKCNGCGR
CAEVCKVEAIDIRGETSYTNYNVCVGCGKCIKNCPNEAREVKEEGYLVYV
GGKTGREVVEGVKMKLMSVDEIINFIDKVLVVYGKYAEKPQRERLAAVMK
RVGYGKFLEEVKELMKKEIC
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 chain7np8 Chain D 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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PDB7np8 Structures of the sulfite detoxifying F 420 -dependent enzyme from Methanococcales.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C495 N496 G497 C498 G499 C501 S517 C534 N536 A538 R539
Binding residue
(residue number reindexed from 1)		C495 N496 G497 C498 G499 C501 S517 C534 N536 A538 R539
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.3: sulfite reductase (coenzyme F420).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0052592 oxidoreductase activity, acting on CH or CH2 groups, with an iron-sulfur protein as acceptor

View graph for
Molecular Function
External links
PDB RCSB:7np8, PDBe:7np8, PDBj:7np8
PDBsum7np8
PubMed36658338
UniProtQ58280|FSR_METJA Coenzyme F420-dependent sulfite reductase (Gene Name=fsr)

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