Structure of PDB 6t7j Chain D Binding Site BS03

Receptor Information
>6t7j Chain D (length=629) Species: 246969 (Thermococcus sp. AM4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIKYRVPAKGVSATKGVAELIEKAEEEGIKTAWHRLLEQQPQCAFGQLGV
CCRNCAMGPCRIDPFGSGPTKGVCGAGADTIVARNLLRMIAAGAAAHSDH
ARDVVEVFKGVAEGRFQYYKLTDVEKLKSLAETLGISTEGKDEHEIAREL
AEVLEWEFGKPGDEPLRMLALAPKKRIKVWEKAGVLPRAIDREVCECMHR
THIGVDADPVSLLLHGIRTSLADGWSGSMMATYLSDILFGTPKPLKAEAN
LGVLKEDYVNIVVHGHNPILSTKIAEIAMSEEMQKFAKKYGAKGVNVVGM
CCTGNEVLMRLGVPIAGSFLMQELAIITGAVEAIIVDYQCIMPAIVDVAQ
CYHTKVITTEPKGHIPGAVHIEFNAEKADEIAKEIVRIAIENYPNRPRDR
VHIPKHKMEAIAGFSVEAIVEALGGTLEPLINALRDGTIKGIVGIVGCNN
PKVKHNYSHVTLAKELIKRDVLVVGTGCWSIAAAMEGLMSPKAVDLAGPG
LKKICEALNIPPCLHMGSCVDCSRILIALGALADALGVDISDLPAAGSAP
EWMSEKAVSIGTYFVASGVFTHLGVVPPVMGSQKVAKILTEDVEDIIGGK
FYVEPDPVKAAETIYNVILEKRKKLGWPL
Ligand information
Ligand IDMSK
InChIInChI=1S/4Fe.4S/q;;;;;;2*+1
InChIKeyBEJQIPSIAWWLMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]
CACTVS 3.385[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
FormulaFe4 S4
NameBroken Fe4S4 cluster
ChEMBL
DrugBank
ZINC
PDB chain6t7j Chain D Residue 703 [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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PDB6t7j The two CO-dehydrogenases of Thermococcus sp. AM4.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		H269 C305 F322 C343 G450 C451 C481 C522 K559
Binding residue
(residue number reindexed from 1)		H266 C302 F319 C340 G447 C448 C478 C519 K556
Annotation score2
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

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