-->
Receptor
PDB id Resolution Class Description Source Keywords
3O4U 2.25 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF HEPTP WITH AN ATYPICALLY OPEN WPD LOOP HOMO SAPIENS HEPTP HUMAN HEMATOPOIETIC TYROSINE PHOSPHATASE CATALYTIC DOMUTANT LC-PTP PTPN7 HYDROLASE
Ref.: VISUALIZING ACTIVE-SITE DYNAMICS IN SINGLE CRYSTALS HEPTP: OPENING OF THE WPD LOOP INVOLVES COORDINATED OF THE E LOOP. J.MOL.BIOL. V. 405 619 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3;
A:4;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SRT A:2;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@H]...
TLA A:1;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D44 1.9 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF HEPTP IN COMPLEX WITH A DUALLY PHOSPHOR ERK2 PEPTIDE MIMETIC HOMO SAPIENS HEPTP HUMAN HEMATOPOIETIC TYROSINE PHOSPHATASE CATALYTIC DOMUTANT LC-PTP PTPN7 ERK2 PTP-PEPTIDE COMPLEX MAPK-DERIPEPTIDE HYDROLASE PHOSPHOPROTEIN PROTEIN PHOSPHATASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RECOGNITION BY HEMATO TYROSINE PHOSPHATASE. BIOCHEMISTRY V. 47 13336 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3O4U - TLA C4 H6 O6 [C@@H]([C@....
2 3D44 - LEU ASP GLU PTR VAL ALA THR ARG n/a n/a
3 3D42 - LEU THR GLU PTR VAL ALA THR ARG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3O4U - TLA C4 H6 O6 [C@@H]([C@....
2 3D44 - LEU ASP GLU PTR VAL ALA THR ARG n/a n/a
3 3D42 - LEU THR GLU PTR VAL ALA THR ARG n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3O4U - TLA C4 H6 O6 [C@@H]([C@....
2 6H8S - FSZ C13 H17 F3 N4 [H]/N=C(/N....
3 4RH9 - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
4 4RHG - PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
5 2CJZ - PTR C9 H12 N O6 P c1cc(ccc1C....
6 5OVR Ki = 8.9 uM AXK C20 H17 Cl2 O5 P c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback