Structure of PDB 6t7j Chain B Binding Site BS04

Receptor Information
>6t7j Chain B (length=632) Species: 246969 (Thermococcus sp. AM4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAEYIKYRVPAKGVSATKGVAELIEKAEEEGIKTAWHRLLEQQPQCAFGQ
LGVCCRNCAMGPCRIDPFGSGPTKGVCGAGADTIVARNLLRMIAAGAAAH
SDHARDVVEVFKGVAEGRFQYYKLTDVEKLKSLAETLGISTEGKDEHEIA
RELAEVLEWEFGKPGDEPLRMLALAPKKRIKVWEKAGVLPRAIDREVCEC
MHRTHIGVDADPVSLLLHGIRTSLADGWSGSMMATYLSDILFGTPKPLKA
EANLGVLKEDYVNIVVHGHNPILSTKIAEIAMSEEMQKFAKKYGAKGVNV
VGMCCTGNEVLMRLGVPIAGSFLMQELAIITGAVEAIIVDYQCIMPAIVD
VAQCYHTKVITTEPKGHIPGAVHIEFNAEKADEIAKEIVRIAIENYPNRP
RDRVHIPKHKMEAIAGFSVEAIVEALGGTLEPLINALRDGTIKGIVGIVG
CNNPKVKHNYSHVTLAKELIKRDVLVVGTGCWSIAAAMEGLMSPKAVDLA
GPGLKKICEALNIPPCLHMGSCVDCSRILIALGALADALGVDISDLPAAG
SAPEWMSEKAVSIGTYFVASGVFTHLGVVPPVMGSQKVAKILTEDVEDII
GGKFYVEPDPVKAAETIYNVILEKRKKLGWPL
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain6t7j Chain B Residue 705 [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)		H367 A371
Binding residue
(residue number reindexed from 1)		H367 A371
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

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