Receptor
PDB id Resolution Class Description Source Keywords
1PMO 2.3 Å EC: 4.1.1.15 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GADB (NEUTRAL PH) ESCHERICHIA COLI NEUTRAL-PH FORM OF GADB LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ESCHERICHIA COLI GLUTAMATE DECARBOXYLASE EMBO J. V. 22 4027 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLR A:1500;
B:1501;
C:1502;
D:1503;
E:1504;
F:1505;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
233.158 C8 H12 N O5 P Cc1c(...
TRS A:3236;
A:3241;
A:3251;
B:3237;
B:3242;
C:3243;
C:3250;
C:3252;
D:3238;
D:3244;
D:3245;
E:3239;
E:3246;
E:3247;
E:3253;
F:3240;
F:3248;
F:3249;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
1PMO 2.3 Å EC: 4.1.1.15 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GADB (NEUTRAL PH) ESCHERICHIA COLI NEUTRAL-PH FORM OF GADB LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ESCHERICHIA COLI GLUTAMATE DECARBOXYLASE EMBO J. V. 22 4027 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PMO - PLR C8 H12 N O5 P Cc1c(cnc(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1PMO - PLR C8 H12 N O5 P Cc1c(cnc(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1PMO - PLR C8 H12 N O5 P Cc1c(cnc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLR; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 PLR 1 1
2 PLP 0.58 0.895833
3 GT1 0.576923 0.846154
4 PXP 0.568627 0.843137
5 PZP 0.568627 0.86
6 P0P 0.557692 0.895833
7 PMP 0.557692 0.781818
8 EPC 0.47541 0.88
9 AN7 0.47541 0.86
10 IN5 0.467742 0.803571
11 FOO 0.467742 0.796296
12 EXT 0.467742 0.781818
13 PLG 0.467742 0.704918
14 2BO 0.454545 0.745763
15 2BK 0.454545 0.745763
16 TLP 0.454545 0.745763
17 4LM 0.453125 0.8
18 0JO 0.453125 0.754386
19 P1T 0.446154 0.671875
20 MPM 0.446154 0.830189
21 PP3 0.446154 0.775862
22 PDA 0.446154 0.775862
23 PDD 0.446154 0.775862
24 F0G 0.446154 0.846154
25 PLA 0.441176 0.714286
26 PY5 0.441176 0.6875
27 33P 0.439394 0.758621
28 CKT 0.439394 0.716667
29 KOU 0.439394 0.754386
30 FEV 0.439394 0.785714
31 IK2 0.439394 0.671875
32 5PA 0.432836 0.671875
33 P3D 0.432836 0.716667
34 HCP 0.432836 0.754386
35 PMH 0.432836 0.605634
36 PLS 0.432836 0.704918
37 EVM 0.432836 0.741379
38 PDG 0.428571 0.68254
39 PGU 0.428571 0.68254
40 7XF 0.428571 0.68254
41 ILP 0.428571 0.721311
42 PPD 0.426471 0.704918
43 C6P 0.426471 0.704918
44 MP5 0.425926 0.678571
45 LPI 0.422535 0.681818
46 QLP 0.422535 0.641791
47 PY6 0.416667 0.692308
48 PL6 0.414286 0.767857
49 6DF 0.414286 0.862745
50 PXG 0.413333 0.704918
51 ORX 0.410959 0.671875
52 N5F 0.410959 0.671875
53 FEJ 0.408451 0.8
54 PFM 0.408451 0.754386
55 Z98 0.408451 0.704918
56 CBA 0.408451 0.68254
57 P89 0.407895 0.725806
58 PE1 0.405405 0.671875
59 PL2 0.402778 0.661538
60 PMG 0.402778 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PMO; Ligand: PLR; 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: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PMO; Ligand: PLR; 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: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PMO; Ligand: PLR; 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: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1PMO; Ligand: PLR; 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: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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