Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP C:1;
Valid;
none;
Kd = 44 uM
1171.17 n/a [P+](...
PO4 A:456;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
TRS A:457;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
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: HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 1 1
2 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.496894 0.75
3 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.494624 0.730769
4 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.477528 0.785714
5 LYS PRO HIS SER ASP 0.470588 0.797101
6 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.465116 0.833333
7 HIS HIS ALA SER PRO ARG LYS 0.461538 0.72973
8 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.457831 0.764706
9 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.44375 0.794118
10 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.436464 0.753425
11 SER LEU ILE PRO TPO PRO ASP LYS 0.434524 0.847222
12 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.432584 0.782609
13 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.428571 0.895522
14 GLN ALA SER TPO PRO ARG NIT 0.427778 0.746988
15 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.426136 0.72973
16 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.425532 0.792208
17 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.425 0.694444
18 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.420213 0.72973
19 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.41989 0.756757
20 HIS VAL ALA VAL GLU ASN ALA LEU 0.417722 0.637681
21 PRO PRO HIS SER TPO 0.417178 0.913043
22 SER ARG ASP HIS SER ARG THR PRO MET 0.415301 0.746835
23 LYS THR PHE PRO PRO THR GLU PRO LYS 0.411429 0.808824
24 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.411111 0.739726
25 LEU PRO PHE GLU ARG ALA THR VAL MET 0.404255 0.6875
26 LYS ARG ARG ARG HIS PRO SER GLY 0.402367 0.743243
27 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.4 0.688312
28 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.4 0.849315
29 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.4 0.887324
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: 8
This union binding pocket(no: 1) in the query (biounit: 3dpc.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PIG GLC GLC 0.0143 0.4101 1.31868
2 1OXV ANP 0.01808 0.40159 1.41643
3 4WZ6 ATP 0.02431 0.40223 2.06897
4 2P0D I3P 0.01702 0.42228 2.32558
5 2PZE ATP 0.00979 0.42607 2.62009
6 1JI0 ATP 0.007133 0.42643 3.33333
7 3T01 PPF 0.007452 0.42543 3.51288
8 1WDI CIT 0.01758 0.40845 6.37681
Feedback