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Receptor
PDB id Resolution Class Description Source Keywords
1EW9 2 Å EC: 3.1.3.1 ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH MERCAPTOMET PHOSPHONATE ESCHERICHIA COLI ENZYME-INHIBITOR COMPLEX HYDROLASE
Ref.: ALTERNATE MODES OF BINDING IN TWO CRYSTAL STRUCTURE ALKALINE PHOSPHATASE-INHIBITOR COMPLEXES. PROTEIN SCI. V. 9 907 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:452;
B:452;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
MMQ A:559;
B:559;
Valid;
Valid;
none;
none;
Kd = 0.6 mM
126.071 C H3 O3 P S C(P(=...
SO4 A:558;
B:958;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:450;
A:451;
A:453;
B:450;
B:451;
B:453;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DPC 2.3 Å EC: 3.1.3.1 STRUCTURE OF E.COLI ALKALINE PHOSPHATASE MUTANT IN COMPLEX W PHOSPHORYLATED PEPTIDE ESCHERICHIA COLI ALKALINE PHOSPHATASE COMPLEX STRUCTURE PROTEIN KINASE HYDMAGNESIUM METAL-BINDING PHOSPHOPROTEIN
Ref.: DEVELOPMENT OF A UNIVERSAL PHOSPHORYLATED PEPTIDE-B PROTEIN FOR SIMULTANEOUS ASSAY OF KINASES BIOSENS.BIOELECTRON. V. 24 2871 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1EW9 Kd = 0.6 mM MMQ C H3 O3 P S C(P(=O)([O....
2 3DPC Kd = 44 uM HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP n/a n/a
3 1KH5 - AF3 Al F3 F[Al](F)F
4 1EW8 Kd = 5.5 mM PAE C2 H5 O5 P C(C(=O)O)P....
5 1KHJ - AF3 Al F3 F[Al](F)F
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1EW9 Kd = 0.6 mM MMQ C H3 O3 P S C(P(=O)([O....
2 3DPC Kd = 44 uM HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP n/a n/a
3 1KH5 - AF3 Al F3 F[Al](F)F
4 1EW8 Kd = 5.5 mM PAE C2 H5 O5 P C(C(=O)O)P....
5 1KHJ - AF3 Al F3 F[Al](F)F
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1EW9 Kd = 0.6 mM MMQ C H3 O3 P S C(P(=O)([O....
2 3DPC Kd = 44 uM HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP n/a n/a
3 1KH5 - AF3 Al F3 F[Al](F)F
4 1EW8 Kd = 5.5 mM PAE C2 H5 O5 P C(C(=O)O)P....
5 1KHJ - AF3 Al F3 F[Al](F)F
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MMQ 1 1
2 PO4 0.416667 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DPC; Ligand: HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 3dpc.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1PIG GLC GLC 1.31868
2 1OXV ANP 1.41643
3 4WZ6 ATP 2.06897
4 2P0D I3P 2.32558
5 2PZE ATP 2.62009
6 2AWN ADP 2.88714
7 1JI0 ATP 3.33333
8 3T01 PPF 3.51288
9 5AHO TLA 3.57143
10 5BXA MAN 4.32692
11 2WQ4 SFU 4.48718
12 5Y4R C2E 4.61538
13 5GVR LMR 5.98291
14 5ZXD ATP 7.47253
15 5W75 SUC 8.41837
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