Receptor
PDB id Resolution Class Description Source Keywords
4LXX 1.45 Å EC: 2.-.-.- CRYSTAL STRUCTURE WLARD, A SUGAR 3N-FORMYL TRANSFERASE IN TH OF DTDP-FUC3NFO AND 5-N-FORMYL-THF CAMPYLOBACTER JEJUNI SUBSP. JEJUNI FMT FORMYLTRANSFERASE FORMYLATION TRANSFERASE
Ref.: STRUCTURE OF A SUGAR N-FORMYLTRANSFERASE FROM CAMPY JEJUNI. BIOCHEMISTRY V. 52 6114 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPO B:302;
A:303;
B:303;
A:302;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
209.263 C7 H15 N O4 S C1COC...
EDO B:308;
B:306;
B:305;
B:307;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
FON A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
CL A:305;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
FNF B:304;
A:304;
 Valid;
Valid;
 none;
none;
 submit data
575.355 C17 H27 N3 O15 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LXQ 1.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE WLARD, A SUGAR 3N-FORMYL TRANSFERASE IN TH OF DTDP AND 5-N-FORMYL-THF CAMPYLOBACTER JEJUNI SUBSP. JEJUNI FORMYL TRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF A SUGAR N-FORMYLTRANSFERASE FROM CAMPY JEJUNI. BIOCHEMISTRY V. 52 6114 2013
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 4LXY - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 4LY3 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 4LXX - FON C20 H23 N7 O7 c1cc(ccc1C....
4 4LXQ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 4LXU - FON C20 H23 N7 O7 c1cc(ccc1C....
6 4LY0 - 1YA C20 H23 N7 O7 c1cc(ccc1C....
7 4LXT - FON C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 4LXY - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 4LY3 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 4LXX - FON C20 H23 N7 O7 c1cc(ccc1C....
4 4LXQ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 4LXU - FON C20 H23 N7 O7 c1cc(ccc1C....
6 4LY0 - 1YA C20 H23 N7 O7 c1cc(ccc1C....
7 4LXT - FON C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 4LXY - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 4LY3 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 4LXX - FON C20 H23 N7 O7 c1cc(ccc1C....
4 4LXQ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 4LXU - FON C20 H23 N7 O7 c1cc(ccc1C....
6 4LY0 - 1YA C20 H23 N7 O7 c1cc(ccc1C....
7 4LXT - FON C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FON; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 FON 1 1
2 FFO 0.683168 1
3 TLL 0.663551 0.931507
4 C2F 0.550459 0.957747
5 THF 0.536364 0.943662
6 MHF 0.535714 0.881579
7 DHF 0.523364 0.926471
8 THG 0.518182 0.926471
9 1YJ 0.518182 0.926471
10 THH 0.486726 0.8
11 21V 0.469027 0.847222
12 DDF 0.469027 0.847222
13 FGD 0.463636 0.785714
14 GUE 0.461538 0.917808
15 DZF 0.447368 0.788732
16 FOL 0.447368 0.802817
17 TMF 0.428571 0.866667
18 9L9 0.420561 0.855072
19 LYA 0.415929 0.72973
20 MEF 0.413223 0.881579
21 1YA 0.413223 0.970588
22 83A 0.40678 0.77027
Ligand no: 2; Ligand: FNF; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 FNF 1 1
2 1YF 1 1
3 MMF 0.83871 0.986667
4 4TG 0.785714 1
5 18T 0.776596 0.986486
6 TRH 0.776596 0.986486
7 1JB 0.776596 0.986486
8 FUH 0.76699 0.986667
9 QUH 0.76699 0.986667
10 T3F 0.760417 0.986667
11 T3Q 0.760417 0.986667
12 QDM 0.73 0.948052
13 0FX 0.71 0.986667
14 T46 0.683168 0.986486
15 DAU 0.68 0.96
16 TDX 0.67 0.972973
17 3R2 0.653465 0.947368
18 0N2 0.650485 0.973684
19 TTP 0.638298 0.92
20 TYD 0.630435 0.92
21 3YN 0.625 0.96
22 DWN 0.609524 0.960526
23 TQP 0.587302 0.890244
24 7SG 0.587302 0.890244
25 TLO 0.582524 0.921053
26 AKM 0.581818 0.936709
27 JHZ 0.581818 0.935897
28 TMP 0.576087 0.906667
29 T5K 0.55814 0.902439
30 T4K 0.55814 0.902439
31 9RC 0.54717 0.811765
32 TTP MG 0.519608 0.893333
33 TBD 0.490196 0.884615
34 T5A 0.488 0.86747
35 AZD 0.462963 0.8625
36 0DN 0.462366 0.789474
37 3DR DT DT DT DT DT 0.458333 0.907895
38 ATY 0.457944 0.921053
39 LLT 0.456522 0.826667
40 THM 0.456522 0.826667
41 THP 0.441176 0.893333
42 UFP 0.44 0.835443
43 TPE 0.435897 0.922078
44 ATM 0.433962 0.85
45 T3P 0.424242 0.868421
46 5HU 0.421569 0.894737
47 BRU 0.421569 0.835443
48 DUT 0.420561 0.88
49 D3T 0.420561 0.894737
50 DT ME6 DT 0.418605 0.873418
51 5IU 0.417476 0.835443
52 FDM 0.417476 0.848101
53 NYM 0.417476 0.907895
54 TXS 0.411765 0.772152
55 4TA 0.410448 0.833333
56 DUD 0.409524 0.88
57 BVP 0.407407 0.87013
58 F5G 0.404762 0.918919
59 T3S 0.403846 0.794872
60 ABT 0.401709 0.841463
Similar Ligands (3D)
Ligand no: 1; Ligand: FON; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: FNF; 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 : 4LXQ; Ligand: FON; 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: 4lxq.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LXQ; Ligand: FON; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4lxq.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LXQ; Ligand: TYD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4lxq.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4LXQ; Ligand: TYD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4lxq.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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