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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: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PLR 1 1
2 PLP 0.58 0.895833
3 GT1 0.576923 0.846154
4 PZP 0.568627 0.86
5 PXP 0.568627 0.843137
6 PMP 0.557692 0.781818
7 P0P 0.557692 0.895833
8 AN7 0.47541 0.86
9 EPC 0.47541 0.88
10 PLG 0.467742 0.704918
11 FOO 0.467742 0.796296
12 IN5 0.467742 0.803571
13 EXT 0.467742 0.781818
14 2BK 0.454545 0.745763
15 2BO 0.454545 0.745763
16 TLP 0.454545 0.745763
17 4LM 0.453125 0.8
18 0JO 0.453125 0.754386
19 PDA 0.446154 0.775862
20 PP3 0.446154 0.775862
21 F0G 0.446154 0.846154
22 PDD 0.446154 0.775862
23 P1T 0.446154 0.671875
24 MPM 0.446154 0.830189
25 PY5 0.441176 0.6875
26 PLA 0.441176 0.714286
27 33P 0.439394 0.758621
28 IK2 0.439394 0.671875
29 FEV 0.439394 0.785714
30 KOU 0.439394 0.754386
31 EVM 0.432836 0.741379
32 P3D 0.432836 0.716667
33 HCP 0.432836 0.754386
34 5PA 0.432836 0.671875
35 PLS 0.432836 0.704918
36 PMH 0.432836 0.605634
37 ILP 0.428571 0.721311
38 PGU 0.428571 0.68254
39 PDG 0.428571 0.68254
40 7XF 0.428571 0.68254
41 PPD 0.426471 0.704918
42 C6P 0.426471 0.704918
43 MP5 0.425926 0.678571
44 QLP 0.422535 0.641791
45 LPI 0.422535 0.681818
46 PY6 0.416667 0.692308
47 PL6 0.414286 0.767857
48 6DF 0.414286 0.862745
49 PXG 0.413333 0.704918
50 N5F 0.410959 0.671875
51 ORX 0.410959 0.671875
52 Z98 0.408451 0.704918
53 PFM 0.408451 0.754386
54 FEJ 0.408451 0.8
55 CBA 0.408451 0.68254
56 P89 0.407895 0.725806
57 PE1 0.405405 0.671875
58 PMG 0.402778 0.692308
59 PL2 0.402778 0.661538
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: 156
This union binding pocket(no: 1) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKL EU7 None
2 4LNL PLG 1.2012
3 4LNL 2BK 1.2012
4 4LNL 2BO 1.2012
5 1DJ9 KAM 1.30208
6 4BA5 PXG 1.30719
7 5KGS 6SR 1.31291
8 6CD1 PLS 1.31868
9 6CD1 PLG 1.31868
10 6CZY PMP 1.38122
11 2HOX P1T 1.40515
12 1GCK ASP PLP 1.55844
13 1SFF IK2 1.64319
14 4AZJ SEP PLP 1.66667
15 4UHO PLP 1.71674
16 2BHZ MAL 1.71674
17 4ADC PLP 1.72414
18 5WYF ILP 1.7316
19 4AOA IK2 1.76211
20 2ZYJ PGU 1.93133
21 4UOX PLP 1.93133
22 4C3Y ANB 1.93133
23 4UOX PUT 1.93133
24 4UOX PLP PUT 1.93133
25 5V8E CIT 1.94175
26 1E5F PLP 1.9802
27 1TOI HCI 2.0202
28 2PO3 T4K 2.12264
29 1CY2 TMP 2.14592
30 2ZC0 PMP 2.2113
31 5EE7 5MV 2.21239
32 1FC4 AKB PLP 2.24439
33 2OGA PGU 2.25564
34 3BS8 PMP 2.28311
35 2Z9V PXM 2.29592
36 2WK9 PLG 2.31362
37 2WK9 PLP 2.31362
38 1U08 PLP 2.33161
39 5G09 6DF 2.36052
40 4FL0 PLP 2.41228
41 4ZM4 P3B 2.46085
42 4ZM4 PLP 2.46085
43 5W71 9YM 2.5
44 5W71 PLP 2.5
45 1GDE GLU PLP 2.57069
46 1ME8 RVP 2.57511
47 5YKT PMP 2.60304
48 4ZSY RW2 2.60304
49 3FRK TQP 2.68097
50 3F81 STT 2.73224
51 2FYF PLP 2.76382
52 4MUV PCG 2.8169
53 6HKE LMR 2.83019
54 6HKE MLT 2.83019
55 4HVK PMP 2.87958
56 4QYS PLP SEP 2.94118
57 4M2K PLP 2.95567
58 1ZC9 PMP 3.00231
59 5TXR PLP 3.00429
60 4RKC PMP 3.01508
61 1VJO PLP 3.05344
62 1ELU PDA 3.07692
63 1ELU CSS 3.07692
64 1FFU FAD 3.13589
65 5W70 9YM 3.14607
66 4K2M O1G 3.16027
67 1LW4 PLP 3.17003
68 1LW4 TLP 3.17003
69 2FNU PMP UD1 3.2
70 4E3Q PMP 3.21888
71 5DDW 5B6 3.21888
72 2R5E QLP 3.2634
73 2R5C C6P 3.2634
74 1UU1 PMP HSA 3.28358
75 3DR4 G4M 3.32481
76 3QVV 3QV 3.38983
77 3QVV A3P 3.38983
78 5U23 TQP 3.40314
79 6C92 EQJ 3.45745
80 6C8T EQJ 3.45745
81 6C9B EGV 3.45745
82 1VLH PNS 3.46821
83 4WXG 2BO 3.50467
84 3CQ5 PMP 3.52304
85 2WCV FUC 3.57143
86 6FYQ PLP 3.64807
87 1M7Y PPG 3.67816
88 3EI9 PL6 3.7037
89 3FQ8 PMP 3.98126
90 2C6Q NDP 3.9886
91 1QFT HSM 4
92 4ARE FLC 4.02878
93 5VN0 NAI 4.07725
94 1N62 FAD 4.16667
95 1CL2 PPG 4.3038
96 6EWR PMP 4.44965
97 4B98 PXG 4.46429
98 2F5X ASP 4.48718
99 5GVL GI8 4.52489
100 5GVL PLG 4.52489
101 6C3C EJ1 4.60048
102 5VEQ PMP 4.62287
103 2X5F PLP 4.65116
104 5W19 9TD 4.72103
105 4WXJ GLU 4.83271
106 2X5D PLP 4.85437
107 3B8X G4M 4.87179
108 3A8U PLP 4.89978
109 4JE5 PLP 4.93562
110 4JE5 PMP 4.93562
111 3KDM TES 5.33333
112 1MDZ DCS 5.34351
113 1MDZ PLP 5.34351
114 1B9I PXG 5.41237
115 3NUG NAD 5.66802
116 2CJF RP4 5.73248
117 3CYQ AMU 5.7971
118 3I7S PYR 5.82192
119 1KBJ FMN 5.82524
120 5K8B PDG 5.95534
121 2IZ1 ATR 6.00858
122 1VBO MAN MAN MAN 6.04027
123 3WGC PLG 6.15836
124 3PDB PMP 6.48379
125 1OXO IK2 6.48379
126 3PD6 PMP 6.48379
127 2XBN PMP 6.55738
128 4E1O PLP PVH 6.65236
129 5E70 RCD 6.86695
130 1MLY ACZ PLP 6.99301
131 3CX8 GSP 7.38916
132 1DFO PLG 7.43405
133 1O69 X04 7.61421
134 3BWN PMP 7.67263
135 3BWN PMP PHE 7.67263
136 3H78 BE2 7.79944
137 1WYV PLP AOA 7.93991
138 1Z6K OAA 8.19113
139 5X2Z 3LM 8.29146
140 6CBO DOW 8.79828
141 4ZAH T5K 8.83838
142 1M32 PLP 9.01639
143 2R2N PMP 9.88235
144 2R2N KYN 9.88235
145 3ZRR PXG 9.89583
146 5Z49 RUB 10.0418
147 4R5Z SIN 10.0817
148 4R5Z PMP 10.0817
149 1LC8 33P 10.7143
150 4A34 FUL 10.8844
151 3NUB UD0 12.8134
152 1JS3 PLP 142 13.3745
153 1AJS PLA 14.3204
154 6DND PLP 14.3552
155 1GEX PLP HSA 19.1011
156 3F6R FMN 26.3514
Pocket No.: 2; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4AUT FAD 1.50215
2 5MPT SAH 1.69082
3 4C3Y FAD 1.93133
4 3CIF G3H 1.94986
5 2YKX AKG 2.15054
6 4X7Q 3YR 2.5641
7 3VSV XYP 2.57511
8 3ZJX BOG 2.76817
9 1GTE FMN 2.7897
10 1GTE IUR 2.7897
11 3ZEI AWH 2.90323
12 3AFN NAP 3.10078
13 1X1Z BMP 3.1746
14 5CDH TLA 3.57143
15 1YNQ NDP 3.78549
16 4H8N NDP 4.19355
17 2XTZ GSP 5.36723
18 2VHW NAI 5.83554
19 5VX9 FUC GAL NAG GAL BGC 6.21118
20 2XIG CIT 6.66667
21 1O5O U5P 7.23982
22 4Z87 GDP 7.72532
23 6AMI TRP 8.08081
Pocket No.: 3; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC RIM None
2 4AT0 FAD 2.7897
3 3WG6 NDP 5.86319
4 1VBO MAN 6.04027
5 5A89 FMN 10.8974
6 5A89 ADP 10.8974
Pocket No.: 4; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3LN9 FLC 10.0719
Pocket No.: 5; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC EU7 None
2 1NAA ABL 1.50215
3 2J44 GLC GLC GLC 7.37327
Pocket No.: 6; Query (leader) PDB : 1PMO; Ligand: PLR; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 1pmo.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5TDU PCR 16.6667
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