Structure of PDB 7np8 Chain C Binding Site BS09

Receptor Information
>7np8 Chain C (length=619) 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
RVGYGKFLEEVKELMKKEI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7np8 Chain C Residue 1114 [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)		D85 D228 C273
Binding residue
(residue number reindexed from 1)		D85 D228 C273
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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