Structure of PDB 5x0j Chain A Binding Site BS02

Receptor Information

>5x0j Chain A (length=241) Species: 69014 (Thermococcus kodakarensis KOD1)

GVEKVPKYDIPTKKVDYVFIELDKMKPHQQLVQKELEAFIESVTGSGIFW
KPMLLAKVPGEDMYLIVDGHHRWAGLQKLGAKRAPSVILDYFSDDVKVYT
WYPAFKGDLNEVVERLKKEGLEVIEDPEAEEKAERGEIAFALVGEKSFAI
PGGLEEQKKVSKVLDEMSVEGKIELIYYGLKEDAREDMAKGEIDYVFIRK
APTKEEVMELVKRGEVYSPKTTRHVLPFNPDKIDVKLEELF

Ligand information

• Ligand ID: SEP
• InChI: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
• InChIKey: BZQFBWGGLXLEPQ-REOHCLBHSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)OP(=O)(O)O
  CACTVS 3.341: N[CH](CO[P](O)(O)=O)C(O)=O
  CACTVS 3.341: N[C@@H](CO[P](O)(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)OP(=O)(O)O
• Formula: C3 H8 N O6 P
• Name: PHOSPHOSERINE;
  PHOSPHONOSERINE
• ChEMBL: CHEMBL284377
• DrugBank: DB04522
• ZINC: ZINC000003869280
• PDB chain: 5x0j Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5x0j Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): Q30 V68 D69 H71 H72 W102 K221 T223 R224 H225
• Binding residue (residue number reindexed from 1): Q29 V67 D68 H70 H71 W101 K220 T222 R223 H224
• Annotation score: 5

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

External links

• PDB: RCSB:5x0j, PDBe:5x0j, PDBj:5x0j
• PDBsum: 5x0j
• PubMed: 28358477
• UniProt: Q5JD03|SERK_THEKO L-serine kinase SerK (Gene Name=serK)