Receptor
PDB id Resolution Class Description Source Keywords
3MK2 1.89 Å EC: 3.1.3.1 PLACENTAL ALKALINE PHOSPHATASE COMPLEXED WITH PHE HOMO SAPIENS PHE BINDING HYDROLASE
Ref.: REFINED STRUCTURES OF PLACENTAL ALKALINE PHOSPHATAS CONSISTENT PATTERN OF INTERACTIONS AT THE PERIPHERA ACTA CRYSTALLOGR.,SECT.F V. 66 866 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:933;
A:934;
A:935;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:904;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:936;
A:937;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:903;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAG NAG A:801;
A:803;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
PHE A:912;
A:923;
Valid;
Valid;
none;
none;
submit data
165.189 C9 H11 N O2 c1ccc...
ZN A:901;
A:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZED 1.57 Å EC: 3.1.3.1 ALKALINE PHOSPHATASE FROM HUMAN PLACENTA IN COMPLEX WITH P- NITROPHENYL-PHOSPHONATE HOMO SAPIENS ALKALINE PHOSPHATASE PHOSPHOSERINE SUBSTRATE ANALOG HYDRO
Ref.: STRUCTURAL STUDIES OF HUMAN PLACENTAL ALKALINE PHOS IN COMPLEX WITH FUNCTIONAL LIGANDS. J.MOL.BIOL. V. 350 441 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZED - PNP C7 H8 N O5 P C[P@@](=O)....
2 3MK1 - NPO C6 H5 N O3 c1cc(ccc1[....
3 3MK0 - NPO C6 H5 N O3 c1cc(ccc1[....
4 1ZEF - PHE C9 H11 N O2 c1ccc(cc1)....
5 3MK2 - PHE C9 H11 N O2 c1ccc(cc1)....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ZED - PNP C7 H8 N O5 P C[P@@](=O)....
2 3MK1 - NPO C6 H5 N O3 c1cc(ccc1[....
3 3MK0 - NPO C6 H5 N O3 c1cc(ccc1[....
4 1ZEF - PHE C9 H11 N O2 c1ccc(cc1)....
5 3MK2 - PHE C9 H11 N O2 c1ccc(cc1)....
6 4KJG - 4NP C6 H6 N O6 P c1cc(ccc1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ZED - PNP C7 H8 N O5 P C[P@@](=O)....
2 3MK1 - NPO C6 H5 N O3 c1cc(ccc1[....
3 3MK0 - NPO C6 H5 N O3 c1cc(ccc1[....
4 1ZEF - PHE C9 H11 N O2 c1ccc(cc1)....
5 3MK2 - PHE C9 H11 N O2 c1ccc(cc1)....
6 4KJG - 4NP C6 H6 N O6 P c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE 1 1
2 DPN 1 1
3 NFA 0.657143 0.666667
4 PBF 0.577778 0.814815
5 DTY 0.564103 0.814815
6 TYR 0.564103 0.814815
7 0A9 0.560976 0.692308
8 PFF 0.55 0.814815
9 4BF 0.55 0.814815
10 PHI 0.55 0.814815
11 0A1 0.52381 0.733333
12 4AF 0.52381 0.846154
13 7N8 0.52381 0.666667
14 ING 0.511628 0.666667
15 4CF 0.511628 0.88
16 TFQ 0.5 0.785714
17 33S 0.488889 0.814815
18 NAL 0.44898 0.846154
19 DAH 0.444444 0.6875
20 E42 0.442308 0.733333
21 BP5 0.433962 0.6875
22 2LT 0.422222 0.647059
23 YOF 0.416667 0.666667
24 IYR 0.416667 0.666667
25 TIH 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZED; Ligand: PNP; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1zed.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 8.24742
2 1NU4 MLA 8.24742
3 1NU4 MLA 8.24742
Pocket No.: 2; Query (leader) PDB : 1ZED; Ligand: PNP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1zed.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZED; Ligand: PNP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1zed.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZED; Ligand: PNP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1zed.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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