Receptor
PDB id Resolution Class Description Source Keywords
1D1Q 1.7 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TY PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP SACCHAROMYCES CEREVISIAE BETA-ALPHA-BETA HYDROLASE
Ref.: CRYSTAL STRUCTURES OF A LOW-MOLECULAR WEIGHT PROTEI TYROSINE PHOSPHATASE FROM SACCHAROMYCES CEREVISIAE COMPLEX WITH THE SUBSTRATE P-NITROPHENYL PHOSPHATE. BIOCHEMISTRY V. 39 1903 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4NP A:401;
Valid;
none;
submit data
219.089 C6 H6 N O6 P c1cc(...
GOL B:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 B:402;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D1Q 1.7 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TY PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP SACCHAROMYCES CEREVISIAE BETA-ALPHA-BETA HYDROLASE
Ref.: CRYSTAL STRUCTURES OF A LOW-MOLECULAR WEIGHT PROTEI TYROSINE PHOSPHATASE FROM SACCHAROMYCES CEREVISIAE COMPLEX WITH THE SUBSTRATE P-NITROPHENYL PHOSPHATE. BIOCHEMISTRY V. 39 1903 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
2 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
2 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5KQL - 6VY C14 H13 N O4 S c1ccc(cc1)....
2 4Z9B - B85 C7 H9 O3 P c1ccc(cc1)....
3 5KQG Ki = 3.2 uM 6VX C15 H12 N2 O4 S2 c1ccc(cc1)....
4 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
5 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
6 5JNW ic50 = 0.46 uM 6LJ C24 H26 N4 c1ccc(c(c1....
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 : 1D1Q; 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: 1d1q.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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