Receptor
PDB id Resolution Class Description Source Keywords
4WOH 1.34 Å EC: 3.1.3.16 STRUCTURE OF OF HUMAN DUAL-SPECIFICITY PHOSPHATASE 22 (E24A/K28A/K30A/C88S) COMPLEXED WITH 4-NITROPHENOLPHOSPHATE HOMO SAPIENS DUAL SPECIFICITY PHOSPHATASE JSP-1 PNPP HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF HUMAN DUAL-SPECIFICITY PHOSP COMPLEXED WITH A PHOSPHOTYROSINE-LIKE SUBSTRATE. ACTA CRYSTALLOGR.,SECT.F V. 71 199 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:202;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
EDO A:203;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
4NP A:201;
Valid;
none;
submit data
219.089 C6 H6 N O6 P c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WOH 1.34 Å EC: 3.1.3.16 STRUCTURE OF OF HUMAN DUAL-SPECIFICITY PHOSPHATASE 22 (E24A/K28A/K30A/C88S) COMPLEXED WITH 4-NITROPHENOLPHOSPHATE HOMO SAPIENS DUAL SPECIFICITY PHOSPHATASE JSP-1 PNPP HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF HUMAN DUAL-SPECIFICITY PHOSP COMPLEXED WITH A PHOSPHOTYROSINE-LIKE SUBSTRATE. ACTA CRYSTALLOGR.,SECT.F V. 71 199 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4WOH - 4NP C6 H6 N O6 P c1cc(ccc1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 4WOH - 4NP C6 H6 N O6 P c1cc(ccc1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4WOH - 4NP C6 H6 N O6 P c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4NP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 4NP 1 1
2 B4N 0.714286 0.866667
3 PNP 0.694444 0.906977
4 GWM 0.527778 0.619048
5 NCH 0.520833 0.629032
6 4NS 0.487179 0.76
7 BPM 0.461538 0.613636
8 NPE 0.45283 0.716981
9 K4V 0.439024 0.75
10 HPS 0.432432 0.634146
11 PGG 0.423729 0.625
12 NPO 0.416667 0.756098
13 PNE 0.403226 0.655738
14 PDE 0.403226 0.655738
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WOH; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4woh.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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