Structure of PDB 6t7j Chain A Binding Site BS01

Receptor Information
>6t7j Chain A (length=631) Species: 246969 (Thermococcus sp. AM4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYIKYRVPAKGVSATKGVAELIEKAEEEGIKTAWHRLLEQQPQCAFGQL
GVCCRNCAMGPCRIDPFGSGPTKGVCGAGADTIVARNLLRMIAAGAAAHS
DHARDVVEVFKGVAEGRFQYYKLTDVEKLKSLAETLGISTEGKDEHEIAR
ELAEVLEWEFGKPGDEPLRMLALAPKKRIKVWEKAGVLPRAIDREVCECM
HRTHIGVDADPVSLLLHGIRTSLADGWSGSMMATYLSDILFGTPKPLKAE
ANLGVLKEDYVNIVVHGHNPILSTKIAEIAMSEEMQKFAKKYGAKGVNVV
GMCCTGNEVLMRLGVPIAGSFLMQELAIITGAVEAIIVDYQCIMPAIVDV
AQCYHTKVITTEPKGHIPGAVHIEFNAEKADEIAKEIVRIAIENYPNRPR
DRVHIPKHKMEAIAGFSVEAIVEALGGTLEPLINALRDGTIKGIVGIVGC
NNPKVKHNYSHVTLAKELIKRDVLVVGTGCWSIAAAMEGLMSPKAVDLAG
PGLKKICEALNIPPCLHMGSCVDCSRILIALGALADALGVDISDLPAAGS
APEWMSEKAVSIGTYFVASGVFTHLGVVPPVMGSQKVAKILTEDVEDIIG
GKFYVEPDPVKAAETIYNVILEKRKKLGWPL
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 chain6t7j Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6t7j The two CO-dehydrogenases of Thermococcus sp. AM4.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		C55 N57 C58 G61 C63 V76 C77 R87 I206
Binding residue
(residue number reindexed from 1)		C54 N56 C57 G60 C62 V75 C76 R86 I205
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6t7j, PDBe:6t7j, PDBj:6t7j
PDBsum6t7j
PubMed32209322
UniProtB7R5K0

[Back to BioLiP]