Structure of PDB 5vj7 Chain A Binding Site BS02

Receptor Information
>5vj7 Chain A (length=462) Species: 1185654 (Pyrococcus furiosus COM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKERVPTPERSVGERVRDFGEVNLGYSWELALREAERCLQCPVEYAPCIK
GCPVHINIPGFIKALRENRDNPSKAVREALRIIWRDNTLPAITGRVCPQE
EQCEGACVVGKVGDPINIGKLERFVADYAREHGIDDELLLEEIKGIKRNG
KKVAIIGAGPAGLTCAADLAKMGYEVTIYEALHQPGGVLTYGIPEFRLPK
EILRKELKKLSLLGVEIKTDHIVGKTITIQELLQEYDAVFIGTGAGTPKL
PNIPGINLNGIYSANEFLTRINLMKAYKFPEYDTPIVVGKKVVVIGAGNT
AMDAARSALRLGAEVTIAYRRGREDMTARIEEVKHAEEEGVKFMFFVNPV
EFIGDENGNVKAVKFEKMKPGKRKIVGTGEYITVEADTVIIAIGQTPNKV
LWRATPELKVDEWGRIVVDENLMTSIPGVFAGGDAIRGEATVILAMGDGR
KAAKAIHQYLSK
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 chain5vj7 Chain A 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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PDB5vj7 Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C42 L43 C45 C52 C111 V112 I120
Binding residue
(residue number reindexed from 1)		C38 L39 C41 C48 C107 V108 I116
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) P164 I197 P198 F200 D307 I454 M457 G458
Catalytic site (residue number reindexed from 1) P160 I193 P194 F196 D303 I443 M446 G447
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5vj7, PDBe:5vj7, PDBj:5vj7
PDBsum5vj7
PubMed28705933
UniProtI6V148

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