Structure of PDB 4fhf Chain A Binding Site BS01

Receptor Information
>4fhf Chain A (length=338) Species: 420246 (Geobacillus thermodenitrificans NG80-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPFVPKLVYFEPEALSYPLGKELYEKFTQMGIKIRETTSHNQVRGIPGET
ELARYRNAKSTLVVGVRRTLKFDSSKPSAEYAIPLATGCMGHCHYCYLQT
TLGPYIRVYVNLDDIFAQAQKYINERAPEITRFEAAATSDIVGIDHLTHS
LKKAIEFIGATDYGRLRFVTKYEHVDHLLDARHNGKTRFRFSINSRYVIN
HFEPGTSSFDGRLAAARKVAGAGYKLGFVVAPIYRHEGWERGYFELFQEL
ARQLEGMDLSDLTFELIQHRFTKPAKRVIEQRYPKTRLDLDETKRKYKWG
RYGIGKYVYRDEEAKELEDTMRRYIEQFFPGAYVQYFT
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 chain4fhf Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fhf Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C90 G92 C94 C97 K174
Binding residue
(residue number reindexed from 1)		C89 G91 C93 C96 K171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003913 DNA photolyase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:1904047 S-adenosyl-L-methionine binding
Cellular Component
GO:0042601 endospore-forming forespore

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4fhf, PDBe:4fhf, PDBj:4fhf
PDBsum4fhf
PubMed22761404
UniProtA4IQU1

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