Structure of PDB 2j17 Chain A Binding Site BS03

Receptor Information

>2j17 Chain A (length=144) Species: 4932 (Saccharomyces cerevisiae)

CRIYPKGPLLVLPEKIYLYSEPTVKELLPFDVVINVAEEANDLRMQVPAV
EYHHYRWEHDSQIALDLPSLTSIIHAATTKREKILIHSQCGLSRSATLII
AYIMKYHNLSLRHSYDLLKSRADKINPSIGLIFQLMEWEVALNA

Ligand information

• Ligand ID: PTR
• InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
• InChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
  CACTVS 3.341: N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
  ACDLabs 10.04: O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
• Formula: C9 H12 N O6 P
• Name: O-PHOSPHOTYROSINE;
  PHOSPHONOTYROSINE
• ChEMBL: CHEMBL286939
• DrugBank: DB01962
• ZINC: ZINC000001530464
• PDB chain: 2j17 Chain A Residue 1199

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2j17 Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
• Resolution: 2.84 Å
• Binding residue (original residue number in PDB): H111 S140 Q141 C142 L144 S145 R146
• Binding residue (residue number reindexed from 1): H59 S88 Q89 C90 L92 S93 R94
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Gene Ontology

Biological Process

• GO:0006470 protein dephosphorylation
• GO:0016311 dephosphorylation

External links

• PDB: RCSB:2j17, PDBe:2j17, PDBj:2j17
• PDBsum: 2j17
• PubMed: 17495930
• UniProt: P40479|SDP1_YEAST Dual-specificity protein phosphatase SDP1 (Gene Name=SDP1)