Structure of PDB 5jca Chain L Binding Site BS02

Receptor Information
>5jca Chain L (length=471) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRLIKDRVPTPERSVGERVRDFGEVNLGYSWELALREAERCLQCPVEYAP
CIKGCPVHINIPGFIKALRENRDNPSKAVREALRIIWRDNTLPAITGRVC
PQEEQCEGACVVGKVGDPINIGKLERFVADYAREHGIDDELLLEEIKGIK
RNGKKVAIIGAGPAGLTCAADLAKMGYEVTIYEALHQPGGVLIYGIPEFR
LPKEIVKKELENLRRLGVKIETNVLVGKTITFEELREEYDAIFIGTGAGT
PRIYPWPGVNLNGIYSANEFLTRINLMKAYKFPEYDTPIKVGKRVAVIGG
GNTAMDAARSALRLGAEVWILYRRTRKEMTAREEEIKHAEEEGVKFMFLV
TPKRFIGDENGNLKAIELEKMKLGEPDESGRRRPIPTGETFIMEFDTAII
AIGQTPNKTFLETVPGLKVDEWGRIVVDENLMTSIPGVFAGGDAIRGEAT
VILAMGDGRKAAKAIHQYLSK
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 chain5jca Chain L Residue 502 [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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PDB5jca Mechanistic insights into energy conservation by flavin-based electron bifurcation.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C42 L43 C45 C52 C111 V112 I120
Binding residue
(residue number reindexed from 1)		C41 L42 C44 C51 C110 V111 I119
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I453 G457
Catalytic site (residue number reindexed from 1) I452 G456
Enzyme Commision number 1.18.1.2: ferredoxin--NADP(+) reductase.
1.8.1.19: sulfide dehydrogenase.
Gene Ontology
Molecular Function
GO:0004324 ferredoxin-NADP+ reductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5jca, PDBe:5jca, PDBj:5jca
PDBsum5jca
PubMed28394885
UniProtQ8U195|SUDHA_PYRFU Sulfide dehydrogenase subunit alpha (Gene Name=sudA)

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