Structure of PDB 7npa Chain D Binding Site BS08

Receptor Information
>7npa Chain D (length=617) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEWKLNDIVDNGICAKCGTCTVVCPNGILTFEDRPKLTEECLRKGNGMCF
EVCPRVSSGKYQIKIREKFKEEYYYGKGDVEGQDGGVVTTFLKYLLKNKK
IDGAIVVGDECWKPVSLIVQNEEDLMNTTKSKYTVSTLEALKTAGEMGLE
KVAVVGLPCQINGLRKLQYFQYLAKHDGELGKNGKPVKLPKIEYLIGLLC
TEKFEYDELKETLAKYNINMDDVEKFDIKKGKLLVYVNGEEHKIPLKEIE
LSAGCKMCRDFDAEMADVSVGCVGSPDGYSTVIIRTEKGEEIKNAIELKE
GVNLEAIEKLRDLKLNRFKKEVERRKAEDEKVSFYWTADYGGVGKRADGT
YFIRIRAKPAGWYSIDEAREILEIAEKYDGKIKMTNRGAFEIHGISGFDV
EAMVLELMEKGFITGSEGPLVRATLACPGEGNCGSGLINTTELCKILEDN
FKEHPAPYKFKIAISGCPNKCVRPQIHDIGIAGVKFPVVNEENCNGCGRC
AEVCKIEAIDIRGETSYTNYNVCIGCGKCIKACPNEGRDVKEEGFMVYVG
GKTGREVIEGVSMKLMSVEEILNLIDKVLIVYHKYAKKPQRERLAAVMAR
IGKGKFLEEVKELMEQN
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 chain7npa Chain D Residue 4608 [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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PDB7npa Structures of the sulfite detoxifying F 420 -dependent enzyme from Methanococcales.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		L6 C15 A16 K17 C18 G19 C21 P36 C54 P55
Binding residue
(residue number reindexed from 1)		L5 C14 A15 K16 C17 G18 C20 P35 C53 P54
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.3: sulfite reductase (coenzyme F420).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:7npa, PDBe:7npa, PDBj:7npa
PDBsum7npa
PubMed36658338
UniProtA0A2Z5PF12

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