Receptor
PDB id Resolution Class Description Source Keywords
3FRK 2.15 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF QDTB FROM T. THERMOSACCHAROLYTICUM IN COMPLEX WITH A PLP:TDP-3-AMINOQUINOVOSE ALDIMINE THERMOANAEROBACTERIUM THERMOSACCHAROLYTICUM AMINOTRANSFERASE SUGAR-MODIFICATION NATURAL PORDUCT
Ref.: STRUCTURAL ANALYSIS OF QDTB, AN AMINOTRANSFERASE REQUIRED FOR THE BIOSYNTHESIS OF DTDP-3-ACETAMIDO-3,6-DIDEOXY-ALPHA-D-GLUCOSE. BIOCHEMISTRY V. 48 1553 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TQP A:374;
B:374;
 Valid;
Valid;
 none;
none;
 submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FRK 2.15 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF QDTB FROM T. THERMOSACCHAROLYTICUM IN COMPLEX WITH A PLP:TDP-3-AMINOQUINOVOSE ALDIMINE THERMOANAEROBACTERIUM THERMOSACCHAROLYTICUM AMINOTRANSFERASE SUGAR-MODIFICATION NATURAL PORDUCT
Ref.: STRUCTURAL ANALYSIS OF QDTB, AN AMINOTRANSFERASE REQUIRED FOR THE BIOSYNTHESIS OF DTDP-3-ACETAMIDO-3,6-DIDEOXY-ALPHA-D-GLUCOSE. BIOCHEMISTRY V. 48 1553 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5U21 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
2 5U23 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
3 5U24 - 7SG C24 H35 N4 O19 P3 Cc1c(c(c(c....
4 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
5 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
7 3NU7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 3NUB - UD0 C25 H34 N5 O22 P3 Cc1c(c(c(c....
9 3BN1 - AKG C5 H6 O5 C(CC(=O)O)....
10 3DR4 - G4M C24 H36 N7 O19 P3 Cc1c(c(c(c....
11 3DR7 - GPD C16 H26 N6 O13 P2 C[C@@H]1[C....
12 2OGA - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TQP; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 7SG 1 1
2 TQP 1 1
3 T4K 0.830645 0.987805
4 T5K 0.830645 0.987805
5 TRH 0.608333 0.878049
6 18T 0.608333 0.878049
7 1JB 0.608333 0.878049
8 T3Q 0.598361 0.879518
9 T3F 0.598361 0.879518
10 MMF 0.58871 0.879518
11 FNF 0.587302 0.890244
12 1YF 0.587302 0.890244
13 QDM 0.579365 0.869048
14 4TG 0.570312 0.890244
15 0FX 0.563492 0.879518
16 DAU 0.552 0.855422
17 T46 0.543307 0.878049
18 QUH 0.540741 0.879518
19 FUH 0.540741 0.879518
20 TDX 0.531746 0.865854
21 3R2 0.519685 0.845238
22 0N2 0.51938 0.869048
23 4RA 0.512987 0.914634
24 TTP 0.512605 0.864198
25 TYD 0.504274 0.864198
26 3YN 0.5 0.878049
27 AKM 0.492537 0.860465
28 DWN 0.48855 0.879518
29 O1G 0.483871 0.707317
30 JHZ 0.481481 0.858824
31 UD0 0.477987 0.903614
32 TMP 0.474138 0.851852
33 TLO 0.465116 0.888889
34 9RC 0.450382 0.808989
35 TTP MG 0.425197 0.817073
36 T5A 0.422819 0.840909
37 TBD 0.401575 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: TQP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FRK; Ligand: TQP; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 3frk.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5W70 9YM 35.1206
2 5W70 9YM 35.1206
3 5W71 PLP 41.2869
4 5K8B PDG 41.555
5 5K8B PDG 41.555
6 5K8B PDG 41.555
Pocket No.: 2; Query (leader) PDB : 3FRK; Ligand: TQP; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 3frk.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5W70 9YM 35.1206
2 5W71 PLP 41.2869
3 5K8B PDG 41.555
4 5K8B PDG 41.555
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