Receptor
PDB id Resolution Class Description Source Keywords
4LY0 1.6 Å EC: 2.-.-.- CRYSTAL STRUCTURE WLARD, A SUGAR 3N-FORMYL TRANSFERASE IN TH OF DTDP-GLC AND 10-N-FORMYL-THF CAMPYLOBACTER JEJUNI SUBSP. JEJUNI 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
DAU A:302;
B:302;
 Valid;
Valid;
 none;
none;
 submit data
564.329 C16 H26 N2 O16 P2 CC1=C...
EDO A:304;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
MPO B:303;
A:303;
 Invalid;
Invalid;
 none;
none;
 submit data
209.263 C7 H15 N O4 S C1COC...
1YA A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
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: DAU; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 DAU 1 1
2 1JB 0.788889 0.972973
3 TRH 0.788889 0.972973
4 18T 0.788889 0.972973
5 TDX 0.731183 0.986301
6 0FX 0.71875 0.947368
7 T3Q 0.715789 0.947368
8 T3F 0.715789 0.947368
9 T46 0.708333 0.972973
10 TTP 0.701149 0.932432
11 MMF 0.701031 0.947368
12 TYD 0.694118 0.932432
13 4TG 0.69 0.96
14 QDM 0.686869 0.910256
15 1YF 0.68 0.96
16 FNF 0.68 0.96
17 3R2 0.659794 0.934211
18 3YN 0.646465 0.946667
19 0N2 0.64 0.935065
20 TMP 0.635294 0.918919
21 JHZ 0.631068 0.898734
22 DWN 0.63 0.922078
23 FUH 0.62963 0.947368
24 QUH 0.62963 0.947368
25 TLO 0.618557 0.933333
26 AKM 0.615385 0.9
27 9RC 0.564356 0.821429
28 T5K 0.56 0.86747
29 T4K 0.56 0.86747
30 TTP MG 0.552083 0.905405
31 7SG 0.552 0.855422
32 TQP 0.552 0.855422
33 T5A 0.551724 0.855422
34 TBD 0.536842 0.896104
35 LLT 0.52381 0.863014
36 THM 0.52381 0.863014
37 UFM 0.519608 0.891892
38 UPG 0.519608 0.891892
39 GDU 0.519608 0.891892
40 2GW 0.518182 0.906667
41 UFP 0.5 0.846154
42 0DN 0.494253 0.8
43 AZD 0.490196 0.85
44 1GW 0.487179 0.871795
45 C5G 0.485981 0.846154
46 ATY 0.485149 0.907895
47 T3P 0.483516 0.905405
48 5HU 0.478723 0.932432
49 3DR DT DT DT DT DT 0.469565 0.894737
50 THP 0.46875 0.905405
51 4TA 0.464 0.821429
52 BRU 0.463158 0.846154
53 DUT 0.46 0.891892
54 ATM 0.46 0.8375
55 FDM 0.458333 0.858974
56 NYM 0.458333 0.894737
57 5IU 0.458333 0.846154
58 DUD 0.44898 0.891892
59 GDC 0.448276 0.724138
60 GDD 0.448276 0.724138
61 GKE 0.448276 0.724138
62 TPE 0.446429 0.909091
63 D3T 0.445545 0.906667
64 TXS 0.4375 0.759494
65 BVP 0.431373 0.881579
66 T3S 0.428571 0.782051
67 ADQ 0.428571 0.746988
68 DT ME6 DT 0.427419 0.860759
69 ABT 0.423423 0.829268
70 USQ 0.415929 0.785714
71 AZZ 0.412371 0.772152
72 U2F 0.410714 0.846154
73 UPF 0.410714 0.846154
74 UFG 0.410714 0.846154
75 2DT 0.40625 0.893333
76 ADS THS THS THS 0.406015 0.772727
77 AWU 0.405405 0.891892
78 UD1 0.403361 0.905405
79 UD2 0.403361 0.905405
Ligand no: 2; Ligand: 1YA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 1YA 1 1
2 THG 0.66 0.954545
3 1YJ 0.66 0.954545
4 FFO 0.508929 0.970588
5 10F 0.504505 0.893939
6 C2F 0.486726 0.929577
7 MEF 0.452991 0.88
8 GHW 0.446429 0.666667
9 GHC 0.426087 0.658228
10 9L9 0.424528 0.852941
11 6DD 0.422414 0.797101
12 FON 0.413223 0.970588
13 GUE 0.404959 0.916667
14 THF 0.4 0.915493
15 DXY 0.4 0.746667
16 DXZ 0.4 0.746667
17 CB3 0.4 0.828571
Similar Ligands (3D)
Ligand no: 1; Ligand: DAU; Similar ligands found: 4
No: Ligand Similarity coefficient
1 GDR 0.9144
2 UGA 0.9090
3 CXY 0.9053
4 UGF 0.8901
Ligand no: 2; Ligand: 1YA; 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
APoc FAQ
Feedback