Structure of PDB 3i7z Chain A Binding Site BS02

Receptor Information

>3i7z Chain A (length=297) Species: 9606 (Homo sapiens)

EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSP
FDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWE
QKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKS
YYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRES
GSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLL
EMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 3i7z Chain A Residue 322

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3i7z Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C215 S216 A217 I219 G220 R221
• Binding residue (residue number reindexed from 1): C214 S215 A216 I218 G219 R220
• Annotation score: 1
• Binding affinity: BindingDB: IC50=2000nM

Enzymatic activity

• Catalytic site (original residue number in PDB): D181 C215 R221 S222 Q262
• Catalytic site (residue number reindexed from 1): D180 C214 R220 S221 Q261
• 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

External links

• PDB: RCSB:3i7z, PDBe:3i7z, PDBj:3i7z
• PDBsum: 3i7z
• PubMed: 20236928
• UniProt: P18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)