Structure of PDB 2cjz Chain A Binding Site BS01

Receptor Information
>2cjz Chain A (length=275) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQSMSRVLQAEELHEKALDPFLLQAEFFEIPMNFVDPKEYDIPGLVR
KNRYKTILPNPHSRVCLTSPDPDDPLSSYINANYIRGYGGEEKVYIATQG
PIVSTVADFWRMVWQEHTPIIVMITTEYWPEEQVAYDGVEITVQKVIHTE
DYRLRLISLKSEERGLKHYWFTSWPDQKTPDRAPPLLHLVREVEEAAQQE
GPHCAPIIVHSSAGIGRTGCFIATSICCQQLRQEGVVDILKTTCQLRQDR
GGMIQTCEQYQFVHHVMSLYEKQLS
Ligand information
Ligand IDPTR
InChIInChI=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
InChIKeyDCWXELXMIBXGTH-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
FormulaC9 H12 N O6 P
NameO-PHOSPHOTYROSINE;
PHOSPHONOTYROSINE
ChEMBLCHEMBL286939
DrugBankDB01962
ZINCZINC000001530464
PDB chain2cjz Chain A Residue 1537 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2cjz Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y304 I307 S472 S473 A474 I476 G477 R478
Binding residue
(residue number reindexed from 1)		Y54 I57 S211 S212 A213 I215 G216 R217
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D437 S472 R478 T479 Q516
Catalytic site (residue number reindexed from 1) D176 S211 R217 T218 Q255
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2cjz, PDBe:2cjz, PDBj:2cjz
PDBsum2cjz
PubMed19167335
UniProtP54829|PTN5_HUMAN Tyrosine-protein phosphatase non-receptor type 5 (Gene Name=PTPN5)

[Back to BioLiP]