Structure of PDB 5x0g Chain A Binding Site BS02

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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5x0g Chain A Residue 302 [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)		F40 S43 I49 F50 W51 K52 D69 G70 H71 H72 R73
Binding residue
(residue number reindexed from 1)		F38 S41 I47 F48 W49 K50 D67 G68 H69 H70 R71
Annotation score5
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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