Receptor
PDB id Resolution Class Description Source Keywords
5X03 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF BACILLUS SUBTI REVEALS A CLOSED CONFORMATION BY THE BINDING OF GAMMA-AMINOA CID, INDUCING THE TRANSCRIPTIONAL ACTIVATION BACILLUS SUBTILIS (STRAIN 168) TRANSCRIPTIONAL REGULATOR AMINOTRANSFERASE-LIKE DOMAIN EXTSCHIFF BASE TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF BACIL SUBTILIS GABR REVEALS A CLOSED CONFORMATION BY GAMMA-AMINOBUTYRIC ACID BINDING, INDUCING TRANSCRIP ACTIVATION BIOCHEM. BIOPHYS. RES. V. 487 287 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP ABU A:501;
 Valid;
 none;
 submit data
329.225 n/a P(=O)...
PLP B:501;
 Invalid;
 none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
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 308 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 266 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 220 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 (2D)
Ligand no: 1; Ligand: PLP ABU; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP ABU 1 1
2 PLP PUT 0.71831 0.816667
3 GLY PLP 0.710145 0.943396
4 SER PLP 0.584416 0.875
5 P3D 0.578947 0.761905
6 PLP ALO 0.576923 0.857143
7 EXT 0.575342 0.859649
8 PLP 999 0.56962 0.857143
9 Z98 0.530864 0.806452
10 0JO 0.519481 0.770492
11 PLP PHE 0.511364 0.890909
12 FEV 0.506329 0.741935
13 P89 0.505747 0.769231
14 4LM 0.5 0.754098
15 PLP 142 0.484211 0.742424
16 PLP MYB 0.483516 0.720588
17 EVM 0.481481 0.816667
18 F0G 0.475 0.793103
19 PLP PVH 0.473118 0.742424
20 KOU 0.469136 0.8
21 PL6 0.464286 0.844828
22 EPC 0.461538 0.758621
23 PLP 0.450704 0.706897
24 PL5 0.449438 0.803279
25 HCP 0.445783 0.770492
26 FEJ 0.44186 0.754098
27 MPM 0.439024 0.75
28 EQJ 0.434783 0.809524
29 5DK 0.434783 0.809524
30 6DF 0.430233 0.716667
31 PZP 0.424658 0.711864
32 FOO 0.419753 0.75
33 PUS 0.417582 0.685714
34 P70 0.417582 0.79661
35 ASP PLP 0.413793 0.875
36 AN7 0.407407 0.711864
37 GLU PLP 0.4 0.793651
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP ABU; Similar ligands found: 5
No: Ligand Similarity coefficient
1 76U 0.9413
2 CAN PLP 0.9324
3 PLP AOA 0.9042
4 IK2 0.8897
5 PLP ACA 0.8680
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T4J; Ligand: PLP ABU; 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: 5t4j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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