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: 55
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 PLP PMP 0.542373 0.754386
9 AN7 0.47541 0.86
10 EPC 0.47541 0.88
11 PLG 0.467742 0.704918
12 FOO 0.467742 0.796296
13 IN5 0.467742 0.803571
14 EXT 0.467742 0.781818
15 2BK 0.454545 0.745763
16 TLP 0.454545 0.745763
17 2BO 0.454545 0.745763
18 4LM 0.453125 0.8
19 0JO 0.453125 0.754386
20 P1T 0.446154 0.671875
21 PP3 0.446154 0.775862
22 PDD 0.446154 0.775862
23 MPM 0.446154 0.830189
24 PDA 0.446154 0.775862
25 PLA 0.441176 0.714286
26 PY5 0.441176 0.6875
27 KOU 0.439394 0.754386
28 33P 0.439394 0.758621
29 IK2 0.439394 0.671875
30 PLS 0.432836 0.704918
31 PMH 0.432836 0.605634
32 HCP 0.432836 0.754386
33 P3D 0.432836 0.716667
34 5PA 0.432836 0.671875
35 PDG 0.428571 0.68254
36 7XF 0.428571 0.68254
37 ILP 0.428571 0.721311
38 PGU 0.428571 0.68254
39 C6P 0.426471 0.704918
40 PPD 0.426471 0.704918
41 MP5 0.425926 0.678571
42 QLP 0.422535 0.641791
43 PY6 0.416667 0.692308
44 6DF 0.414286 0.862745
45 PL6 0.414286 0.767857
46 PXG 0.413333 0.704918
47 N5F 0.410959 0.671875
48 ORX 0.410959 0.671875
49 PFM 0.408451 0.754386
50 Z98 0.408451 0.704918
51 CBA 0.408451 0.68254
52 P89 0.407895 0.725806
53 PE1 0.405405 0.671875
54 PL2 0.402778 0.661538
55 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: 71
This union binding pocket(no: 1) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LNL PLG 0.02977 0.40494 1.2012
2 4LNL 2BO 0.03405 0.40392 1.2012
3 4LNL 2BK 0.03405 0.40392 1.2012
4 1DJ9 KAM 0.001104 0.42737 1.30208
5 4BA5 PXG 0.004597 0.40129 1.30719
6 2HOX P1T 0.002348 0.40861 1.40515
7 4AZJ SEP PLP 0.0002349 0.43321 1.66667
8 4UHO PLP 0.00189 0.44855 1.71674
9 4ADC PLP 0.002791 0.42493 1.72414
10 4AOA IK2 0.008387 0.40741 1.76211
11 4UOX PLP 0.002397 0.42796 1.93133
12 4UOX PUT 0.0021 0.41521 1.93133
13 4UOX PLP PUT 0.001986 0.40904 1.93133
14 3CIF G3H 0.03223 0.40318 1.94986
15 2ZC0 PMP 0.0002708 0.44768 2.2113
16 5EE7 5MV 0.01758 0.40574 2.21239
17 1FC4 AKB PLP 0.0002299 0.44457 2.24439
18 2OGA PGU 0.002764 0.43795 2.25564
19 2WK9 PLG 0.0008203 0.47946 2.31362
20 2WK9 PLP 0.001017 0.47201 2.31362
21 1U08 PLP 0.0004782 0.46569 2.33161
22 4ZM4 PLP 0.001105 0.43567 2.46085
23 5W71 9YM 0.004199 0.45323 2.5
24 5W71 PLP 0.001318 0.44707 2.5
25 4ZSY RW2 0.000774 0.40589 2.60304
26 2FYF PLP 0.000007422 0.55892 2.76382
27 3ZJX BOG 0.009983 0.41598 2.76817
28 4RKC PMP 0.001505 0.43101 3.01508
29 1ELU PDA 0.000008736 0.49522 3.07692
30 1ELU CSS 0.0000709 0.44419 3.07692
31 5W70 9YM 0.002757 0.43612 3.14607
32 1LW4 TLP 0.0001636 0.49183 3.17003
33 1LW4 PLP 0.0001279 0.49183 3.17003
34 1X1Z BMP 0.04949 0.40377 3.1746
35 4E3Q PMP 0.0003897 0.46986 3.21888
36 2R5C C6P 0.0006771 0.46496 3.2634
37 2R5E QLP 0.0005382 0.42058 3.2634
38 5U23 TQP 0.01063 0.42297 3.40314
39 5DJ3 5DK 0.003551 0.42897 3.45745
40 4WXG 2BO 0.0002029 0.42178 3.50467
41 3CQ5 PMP 0.001267 0.45716 3.52304
42 5CDH TLA 0.006628 0.42546 3.57143
43 3FQ8 PMP 0.005887 0.42569 3.98126
44 1N62 FAD 0.008627 0.43529 4.16667
45 4B98 PXG 0.003996 0.42453 4.46429
46 2F5X ASP 0.01485 0.40407 4.48718
47 5GVL GI8 0.00168 0.47241 4.52489
48 5GVL PLG 0.00168 0.47241 4.52489
49 3E2Y PMP 0.001007 0.44523 4.63415
50 2X5F PLP 0.002482 0.43209 4.65116
51 4WXJ GLU 0.006109 0.42327 4.83271
52 2X5D PLP 0.01297 0.40772 4.85437
53 4JE5 PMP 0.005247 0.41679 4.93562
54 4JE5 PLP 0.006297 0.41306 4.93562
55 3KDM TES 0.01289 0.4082 5.33333
56 3CYQ AMU 0.01647 0.41547 5.7971
57 5K8B PDG 0.001565 0.45157 5.95534
58 3WGC PLG 0.0001185 0.46754 6.15836
59 3PD6 PMP 0.000512 0.46429 6.48379
60 3PDB PMP 0.0004205 0.46259 6.48379
61 4E1O PLP PVH 0.0000001118 0.53206 6.65236
62 2XIG CIT 0.008165 0.40631 6.66667
63 1MLY ACZ PLP 0.01384 0.40109 6.99301
64 1DFO PLG 0.0002211 0.48794 7.43405
65 3BWN PMP 0.000407 0.46324 7.67263
66 3BWN PMP PHE 0.0009979 0.40778 7.67263
67 1WYV PLP AOA 0.00000853 0.50656 7.93991
68 1M32 PLP 0.0004076 0.48319 9.01639
69 2R2N PMP 0.001998 0.43158 9.88235
70 1JS3 PLP 142 0.0000002576 0.55232 13.3745
71 1AJS PLA 0.0004661 0.47862 14.3204
Pocket No.: 2; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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