Receptor
PDB id Resolution Class Description Source Keywords
6CI5 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS IN COMPLEX WITH UDP-4,6-DIDEOXY-4-FORMAMIDO-LA ND TETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
1YJ A:303;
 Valid;
 Atoms found LESS than expected: % Diff = 0.594;
 submit data
445.429 C19 H23 N7 O6 c1cc(...
F5G A:302;
 Valid;
 none;
 submit data
618.38 C18 H28 N4 O16 P2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EDK 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS WITH N10-FORMYLTETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
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 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1YJ; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 THG 1 1
2 1YJ 1 1
3 1YA 0.66 0.954545
4 C2F 0.623762 0.887324
5 FFO 0.617647 0.926471
6 FON 0.518182 0.926471
7 THF 0.490909 0.873239
8 9L9 0.484848 0.892308
9 TLL 0.478632 0.863014
10 FGD 0.471698 0.846154
11 MEF 0.469027 0.84
12 DHF 0.462963 1
13 THH 0.455357 0.733333
14 GHC 0.454545 0.684211
15 29C 0.452174 0.838235
16 28Z 0.452174 0.838235
17 3TZ 0.452174 0.774648
18 29D 0.452174 0.838235
19 83A 0.45045 0.826087
20 GHW 0.449541 0.693333
21 GUE 0.431034 0.875
22 FOL 0.428571 0.863636
23 DZF 0.428571 0.848485
24 LYA 0.422018 0.782609
25 DXZ 0.401786 0.777778
26 DXY 0.401786 0.777778
27 DDF 0.4 0.910448
28 21V 0.4 0.910448
Ligand no: 2; Ligand: F5G; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 F5G 1 1
2 F5P 0.782178 0.985507
3 UD4 0.782178 0.985507
4 HP7 0.745098 0.985294
5 UD1 0.742574 0.971014
6 UD2 0.742574 0.971014
7 UD7 0.711538 1
8 MJZ 0.704762 0.957143
9 UDZ 0.688073 0.893333
10 AWU 0.683673 0.985294
11 EPZ 0.660714 0.985507
12 EEB 0.654867 0.971429
13 UGB 0.640777 0.970588
14 UGA 0.640777 0.970588
15 EPU 0.640351 0.943662
16 GDU 0.623762 0.956522
17 UFM 0.623762 0.956522
18 UPG 0.623762 0.956522
19 UGF 0.619048 0.916667
20 4RA 0.615385 0.894737
21 UMA 0.61157 0.985507
22 HWU 0.607143 0.916667
23 12V 0.607143 0.916667
24 UDX 0.605769 0.956522
25 UAD 0.605769 0.956522
26 USQ 0.59434 0.835443
27 U2F 0.590476 0.90411
28 UPF 0.590476 0.90411
29 UFG 0.590476 0.90411
30 UDM 0.581818 0.929577
31 UDP 0.578947 0.927536
32 UTP 0.57732 0.927536
33 G3N 0.574074 0.929577
34 U5F 0.571429 0.927536
35 U20 0.570312 0.871795
36 U21 0.570312 0.871795
37 U22 0.570312 0.85
38 UNP 0.56 0.901408
39 UAG 0.551471 0.931507
40 UD0 0.547445 0.883117
41 IUG 0.542373 0.825
42 UDH 0.537736 0.831169
43 URM 0.53271 0.915493
44 660 0.53271 0.915493
45 3UC 0.526786 0.90411
46 UPP 0.523364 0.928571
47 UPU 0.519231 0.927536
48 U 0.515789 0.913043
49 U5P 0.515789 0.913043
50 UML 0.506757 0.871795
51 44P 0.5 0.888889
52 UDP UDP 0.5 0.898551
53 2KH 0.495146 0.901408
54 PMP UD1 0.485714 0.848101
55 UDP GAL 0.477876 0.928571
56 2QR 0.460432 0.8375
57 C5G 0.448276 0.90411
58 Y6W 0.447368 0.878378
59 UP5 0.4375 0.844156
60 4TG 0.435484 0.918919
61 CXY 0.420168 0.90411
62 4TC 0.419847 0.822785
63 UAG API 0.41875 0.87013
64 FZK 0.415929 0.75
65 CSQ 0.414634 0.842105
66 CSV 0.414634 0.842105
67 LSU 0.413793 0.752941
68 YSU 0.413223 0.741176
69 URI 0.410526 0.826087
70 2GW 0.408 0.916667
71 1GW 0.407692 0.88
72 U1S 0.40708 0.789474
73 FNF 0.404762 0.918919
74 1YF 0.404762 0.918919
Similar Ligands (3D)
Ligand no: 1; Ligand: 1YJ; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: F5G; 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 : 6EDK; Ligand: 1YA; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 6edk.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3DCJ THH 23.2558
2 3DCJ THH 23.2558
3 4YFY 1YJ 30.4147
4 4YFY 1YJ 30.4147
5 5VYQ FON 40.553
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