Structure of PDB 6x1o Chain A Binding Site BS01

Receptor Information
>6x1o Chain A (length=623) Species: 1185654 (Pyrococcus furiosus COM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYAYNGKLLDVDLTREKVKEVELSEDVLKKFYGGRGLGTYILWKELGEKW
EKVDPLGEENLLLILTGPLTGYYPGMKTSIVSKSPESNGVVGSVLSSELG
LELKAAGYDGIIIRGKAKSPVYLFIHNDTVEIRDATKYWGMGGIELYKTL
LKEVHEEIRKKEKLKGVPKEPAMIYIGKGGENKVRFAAIMTKLMHAAGYG
GYGAVMGSKNLKAVIAKGSGPLPEVYDKEKMKVLLREFWKELFSMTTFRE
WGTGAGGYSVGHDRSSEPIRNWQEEYHDNEEISVVNFENRTWIKKYWADY
GCPVNCMKISYLRYGPYKGSISDAPDYELQAYMGTNLGIFEPEKIVYLSY
LVDELGLDGINTGNILGFAAELYQRGILTKEDLGFELNWGDEKAFAKLLH
LIVEKEGIGKILAEGTYRAALKISEIKGIDVTKYAVHVKGIAVGAHGIRS
ELDYTKDISYAVSVQGGDHTSTAALPAKGYTGELVEAFYDSAVICNFVTK
PGFEKIIEFGNALSGFNITPEQWLNEIGLRIIHLQRILLLLGGPDVYWDP
RKDDDNPPRFYEPLPSGPVKGKAPNREDIKAKVKQYYEEIGYDEHGIPKE
EVLEELGIGEAKREVKRIKKRLN
Ligand information
Ligand IDUKM
InChIInChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1
InChIKeyKMBRJVMBQNMRDM-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC[C@H](O)[S](O)(=O)=O
CACTVS 3.385CCC[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7CCCC(O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7CCC[C@H](O)S(=O)(=O)O
ACDLabs 12.01C(CCC)(O)S(=O)(O)=O
FormulaC4 H10 O4 S
Name(1R)-1-hydroxybutane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000006381313
PDB chain6x1o 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

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PDB6x1o An unprecedented function for a tungsten-containing oxidoreductase.
Resolution2.094 Å
Binding residue
(original residue number in PDB)		T253 E328 H446 H469
Binding residue
(residue number reindexed from 1)		T253 E328 H446 H469
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.5: aldehyde ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
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:6x1o, PDBe:6x1o, PDBj:6x1o
PDBsum6x1o
PubMed36269456
UniProtI6V2C3

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