Structure of PDB 5x0g Chain A Binding Site BS03

Receptor Information
>5x0g Chain A (length=239) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEKVPKYDIPTKKVDYVFIELDKMKPHAQLVQKELEAFIESVTGSGIFWK
PMLLAKVPGEDMYLIVDGHHRWAGLQKLGAKRAPSVILDYFSDDVKVYTW
YPAFKGDLNEVVERLKKEGLEVIEDPEAEEKAERGEIAFALVGEKSFAIP
GGLEEQKKVSKVLDEMSVEGKIELIYYGLKEDAREDMAKGIDYVFIRKAP
TKEEVMELVKRGEVYSPKTTRHVLPFNPDKIDVKLEELF
Ligand information
Ligand ID7WF
InChIInChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1
InChIKeyLVQFQZZGTZFUNF-YHMJZVADSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
OpenEye OEToolkits 2.0.6C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
CACTVS 3.385O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O
CACTVS 3.385O[C@H](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O
FormulaC10 H22 N2 O8 S2
Name2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid;
POPSO
ChEMBL
DrugBank
ZINC
PDB chain5x0g Chain A Residue 303 [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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PDB5x0g Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D17 Y18 V19 F20
Binding residue
(residue number reindexed from 1)		D15 Y16 V17 F18
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.226: L-serine kinase (ADP).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0016310 phosphorylation
GO:0019344 cysteine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5x0g, PDBe:5x0g, PDBj:5x0g
PDBsum5x0g
PubMed28358477
UniProtQ5JD03|SERK_THEKO L-serine kinase SerK (Gene Name=serK)

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