Receptor
PDB id Resolution Class Description Source Keywords
5T4K 2.25 Å NON-ENZYME: TRANSCRIPT_TRANSLATE PLP AND GABA TRIGGER GABR-MEDIATED TRANSCRIPTION REGULATION BACILLUS SUBSIDIES VIA EXTERNAL ALDIMINE FORMATION BACILLUS SUBTILIS GABR MOCR PLP GABA EXTERNAL ALDIMINE TRANSCRIPTION
Ref.: PLP AND GABA TRIGGER GABR-MEDIATED TRANSCRIPTION RE IN BACILLUS SUBTILIS VIA EXTERNAL ALDIMINE FORMATIO PROC. NATL. ACAD. SCI. V. 114 3891 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
76U A:501;
Valid;
none;
submit data
366.279 C13 H20 F N2 O7 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T4J 2.23 Å NON-ENZYME: TRANSCRIPT_TRANSLATE PLP AND GABA TRIGGER GABR-MEDIATED TRANSCRIPTION REGULATION BACILLUS SUBSIDIES VIA EXTERNAL ALDIMINE FORMATION BACILLUS SUBTILIS GABR MOCR PLP GABA EXTERNAL ALDIMINE TRANSCRIPTION REGU
Ref.: PLP AND GABA TRIGGER GABR-MEDIATED TRANSCRIPTION RE IN BACILLUS SUBTILIS VIA EXTERNAL ALDIMINE FORMATIO PROC. NATL. ACAD. SCI. V. 114 3891 2017 U.S.A.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 5X03 - PLP ABU n/a n/a
2 5T4K - 76U C13 H20 F N2 O7 P Cc1c(c(c(c....
3 5T4J Kd = 2.6 mM PLP ABU n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5X03 - PLP ABU n/a n/a
2 5T4K - 76U C13 H20 F N2 O7 P Cc1c(c(c(c....
3 5T4J Kd = 2.6 mM PLP ABU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 5X03 - PLP ABU n/a n/a
2 5T4K - 76U C13 H20 F N2 O7 P Cc1c(c(c(c....
3 5T4J Kd = 2.6 mM PLP ABU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 76U; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 76U 1 1
2 PDG 0.702703 0.952381
3 PGU 0.702703 0.952381
4 N5F 0.653846 0.9375
5 PP3 0.643836 0.846154
6 PDA 0.643836 0.846154
7 PDD 0.643836 0.846154
8 PPD 0.64 0.920635
9 PY5 0.631579 0.893939
10 QLP 0.628205 0.895522
11 2BO 0.626667 0.846154
12 TLP 0.626667 0.846154
13 PLS 0.626667 0.890625
14 2BK 0.626667 0.846154
15 C6P 0.618421 0.890625
16 7XF 0.615385 0.921875
17 EA5 0.6125 0.909091
18 PE1 0.604938 0.907692
19 IN5 0.60274 0.815385
20 PLG 0.60274 0.890625
21 PY6 0.6 0.867647
22 KAM 0.595238 0.907692
23 ILP 0.594937 0.848485
24 ORX 0.592593 0.907692
25 PLA 0.589744 0.865672
26 IK2 0.571429 0.878788
27 PL4 0.571429 0.907692
28 AQ3 0.568182 0.838235
29 PMG 0.567901 0.895522
30 P1T 0.558442 0.850746
31 5PA 0.544304 0.878788
32 CBA 0.536585 0.808824
33 PSZ 0.517647 0.774648
34 PXP 0.514286 0.761905
35 33P 0.5125 0.830769
36 PLP ALO 0.506173 0.80303
37 HEY 0.505882 0.893939
38 3LM 0.5 0.788732
39 PMH 0.487805 0.658228
40 PMP 0.486111 0.825397
41 RW2 0.483146 0.852941
42 PXG 0.483146 0.833333
43 GT1 0.479452 0.686567
44 PL2 0.476744 0.811594
45 7TS 0.465116 0.666667
46 DCS 0.45977 0.717949
47 PL6 0.453488 0.8125
48 9YM 0.444444 0.782609
49 PL8 0.430108 0.783784
50 CAN PLP 0.428571 0.893939
51 1D0 0.42268 0.8
52 7B9 0.421053 0.816901
53 PLP 2KZ 0.413793 0.80303
54 TZA PLP 0.40404 0.820895
55 PPE 0.4 0.9375
56 Z98 0.4 0.80597
57 PPG 0.4 0.878788
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T4J; Ligand: PLP ABU; Similar sites found: 52
This union binding pocket(no: 1) in the query (biounit: 5t4j.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P41 SAH 0.003583 0.4005 1.63934
2 4R33 SAH 0.00948 0.40399 1.91781
3 4R33 TRP 0.00948 0.40399 1.91781
4 3TKA CTN 0.0009866 0.51303 2.01729
5 3VPD ANP 0.004193 0.40177 2.13523
6 3OG9 MLT 0.03181 0.41548 2.39234
7 1DLJ UGA 0.01824 0.4073 2.46575
8 1DLJ NAI 0.01824 0.4073 2.46575
9 1KTC NGA 0.005637 0.40526 2.46575
10 3S9K CIT 0.01259 0.44266 2.54237
11 1SS4 GSH 0.02113 0.42037 2.61438
12 3PD6 PMP 0.00358 0.45595 2.73973
13 2ZWS PLM 0.006081 0.45371 2.73973
14 5BU2 AMP 0.03938 0.40456 2.73973
15 2XDQ MGX 0.02194 0.40818 3.0137
16 2OZE AGS 0.001591 0.41338 3.02013
17 2YBQ SAH 0.002869 0.406 3.08219
18 2XBN PMP 0.004705 0.4065 3.28767
19 4RJK PYR 0.04614 0.40583 3.56164
20 1GJW GLC 0.01292 0.40641 3.83562
21 3VTF UPG 0.003748 0.40172 3.83562
22 3ICC NAP 0.004531 0.41539 3.92157
23 1TOI HCI 0.0002172 0.46234 4.10959
24 1H82 GZZ 0.03186 0.40313 4.10959
25 4G1V FAD 0.007513 0.40162 4.10959
26 2JEN GLC GLC BGC XYS BGC XYS 0.0123 0.42691 4.21456
27 3MAG 3MA 0.008533 0.43655 4.56026
28 1TUF AZ1 0.00106 0.42939 4.65753
29 3OND NAD 0.01754 0.40647 4.65753
30 3OND ADN 0.01754 0.40647 4.65753
31 2C31 TZD 0.0436 0.40279 4.93151
32 2C31 ADP 0.04244 0.40279 4.93151
33 1TUV VK3 0.02058 0.40956 5.26316
34 1GEX PLP HSA 0.00005841 0.47883 5.33708
35 4M2K PLP 0.0001075 0.43009 5.47945
36 3TCT 3MI 0.02456 0.40333 6.29921
37 4PLG OXM 0.0113 0.40532 7.78443
38 4PLG NAI 0.0113 0.40532 7.78443
39 1M5B BN1 0.03128 0.40158 8.36502
40 1T0S BML 0.01752 0.40639 9.30233
41 4F8L GAL 0.01006 0.44189 9.65517
42 2NX1 PEP 0.008199 0.40016 9.73783
43 4B9E FAH 0.005294 0.42397 14.2857
44 3GE7 AFQ 0.01162 0.4005 16.1644
45 3EI9 PL6 0.003197 0.42399 20.5479
46 3CQ5 PMP 0.00001367 0.45848 23.8356
47 4R5Z PMP 0.004147 0.42223 25.7534
48 4R5Z SIN 0.00603 0.40154 25.7534
49 1LC8 33P 0.0003761 0.44988 25.8242
50 2R2N PMP 0.005549 0.44176 26.5753
51 5IWQ PLP 0.005377 0.44245 28.7671
52 1M7Y PPG 0.0001451 0.47073 35.0685
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