Receptor
PDB id Resolution Class Description Source Keywords
4ZTC 2 Å EC: 2.-.-.- PGLE AMINOTRANSFERASE IN COMPLEX WITH EXTERNAL ALDIMINE, MUT CAMPYLOBACTER JEJUNI AMINOTRANSFERASE N-N-prime -DIACETYLBACILLOSAMINE N-GLYCOSYLATIOPYRIDOXYL 5-prime -PHOSPHATE TRANSFERASE
Ref.: STRUCTURE OF THE EXTERNAL ALDIMINE FORM OF PGLE, AN AMINOTRANSFERASE REQUIRED FOR N,N'-DIACETYLBACILLOS BIOSYNTHESIS. PROTEIN SCI. V. 24 1609 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4RA A:401;
 Valid;
 none;
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819.496 C25 H36 N5 O20 P3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O69 1.84 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF A PLP-DEPENDENT ENZYME CAMPYLOBACTER JEJUNI STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 4ZTC - 4RA C25 H36 N5 O20 P3 Cc1c(c(c(c....
2 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
3 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 4ZTC - 4RA C25 H36 N5 O20 P3 Cc1c(c(c(c....
2 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
3 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 4ZTC - 4RA C25 H36 N5 O20 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4RA; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 4RA 1 1
2 UD0 0.792593 0.987013
3 F5G 0.615385 0.894737
4 F5P 0.603053 0.883117
5 UD4 0.603053 0.883117
6 UD2 0.584615 0.87013
7 UD1 0.584615 0.87013
8 HP7 0.575758 0.881579
9 UD7 0.552239 0.894737
10 UDZ 0.550725 0.829268
11 T4K 0.549669 0.926829
12 T5K 0.549669 0.926829
13 MJZ 0.548148 0.858974
14 2QR 0.532895 0.890244
15 EPZ 0.531915 0.883117
16 EEB 0.528169 0.871795
17 EPU 0.528169 0.848101
18 AWU 0.523438 0.881579
19 TQP 0.512987 0.914634
20 7SG 0.512987 0.914634
21 PMP UD1 0.506329 0.878049
22 UMA 0.5 0.883117
23 U20 0.5 0.790698
24 U21 0.5 0.790698
25 UGA 0.496241 0.868421
26 UGB 0.496241 0.868421
27 UGF 0.492537 0.825
28 UFG 0.492424 0.814815
29 UFM 0.492308 0.857143
30 GDU 0.492308 0.857143
31 UPG 0.492308 0.857143
32 12V 0.478873 0.825
33 HWU 0.478873 0.825
34 USQ 0.474074 0.758621
35 U22 0.471338 0.772727
36 UDX 0.470149 0.857143
37 UPF 0.470149 0.814815
38 U2F 0.470149 0.814815
39 UAD 0.470149 0.857143
40 UAG 0.469512 0.839506
41 UDM 0.467626 0.835443
42 G3N 0.459854 0.835443
43 UML 0.454023 0.790698
44 UTP 0.452381 0.855263
45 UDP 0.451613 0.855263
46 U5F 0.448819 0.855263
47 IUG 0.442177 0.811765
48 UNP 0.44186 0.833333
49 O1G 0.43609 0.776316
50 UDH 0.42963 0.752941
51 URM 0.426471 0.822785
52 660 0.426471 0.822785
53 3UC 0.425532 0.814815
54 U 0.414634 0.842105
55 U5P 0.414634 0.842105
56 UPU 0.413534 0.831169
57 UPP 0.408759 0.881579
58 2KH 0.40458 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4RA; 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 : 1O69; Ligand: X04; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1o69.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 5K8B PDG 31.7259
2 5W71 PLP 36.2944
3 6EWR PMP 47.2081
4 6EWR PMP 47.2081
5 6EWR PMP 47.2081
6 6EWR PMP 47.2081
Pocket No.: 2; Query (leader) PDB : 1O69; Ligand: X04; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 1o69.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 5W71 PLP 36.2944
2 6EWR PMP 47.2081
3 6EWR PMP 47.2081
4 6EWR PMP 47.2081
5 6EWR PMP 47.2081
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