Receptor
PDB id Resolution Class Description Source Keywords
4LXT 1.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE WLARD, A SUGAR 3N-FORMYL TRANSFERASE IN TH OF DTDP-QUI3N AND 5-N-FORMYL-THF CAMPYLOBACTER JEJUNI SUBSP. JEJUNI FORMYLTRANSFERASE 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:302;
A:303;
A:304;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
209.263 C7 H15 N O4 S C1COC...
FON A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
CL A:309;
B:306;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
EDO A:307;
B:305;
A:308;
A:306;
B:304;
B:307;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
T3Q A:305;
B:303;
 Valid;
Valid;
 none;
none;
 submit data
547.345 C16 H27 N3 O14 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: T3Q; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 T3F 1 1
2 T3Q 1 1
3 18T 0.840909 0.973333
4 TRH 0.840909 0.973333
5 1JB 0.840909 0.973333
6 0FX 0.804348 1
7 MMF 0.784946 0.973684
8 QDM 0.768421 0.935897
9 FNF 0.760417 0.986667
10 1YF 0.760417 0.986667
11 T46 0.71875 0.973333
12 0N2 0.71875 0.986842
13 4TG 0.717172 0.986667
14 DAU 0.715789 0.947368
15 TDX 0.705263 0.96
16 FUH 0.701923 0.973684
17 QUH 0.701923 0.973684
18 3R2 0.6875 0.935065
19 TTP 0.674157 0.907895
20 DWN 0.673469 0.973684
21 TYD 0.666667 0.907895
22 3YN 0.64 0.947368
23 TLO 0.628866 0.909091
24 AKM 0.625 0.949367
25 JHZ 0.625 0.948718
26 TMP 0.609195 0.894737
27 TQP 0.598361 0.879518
28 7SG 0.598361 0.879518
29 9RC 0.574257 0.802326
30 T4K 0.568 0.891566
31 T5K 0.568 0.891566
32 TTP MG 0.5625 0.881579
33 T5A 0.521008 0.879518
34 TBD 0.515464 0.873418
35 3DR DT DT DT DT DT 0.491228 0.896104
36 0DN 0.488636 0.779221
37 LLT 0.482759 0.815789
38 THM 0.482759 0.815789
39 AZD 0.471154 0.851852
40 NYM 0.46875 0.921053
41 ATY 0.466019 0.909091
42 THP 0.463918 0.881579
43 UFP 0.463158 0.825
44 4TA 0.460317 0.845238
45 TPE 0.455357 0.910256
46 FDM 0.453608 0.8375
47 T3P 0.446809 0.857143
48 5HU 0.443299 0.883117
49 BRU 0.443299 0.825
50 DUT 0.441176 0.868421
51 ATM 0.441176 0.839506
52 D3T 0.441176 0.883117
53 5IU 0.438776 0.825
54 DT ME6 DT 0.435484 0.8625
55 TXS 0.43299 0.7625
56 DUD 0.43 0.868421
57 AWU 0.427273 0.893333
58 BVP 0.427184 0.858974
59 T3S 0.424242 0.78481
60 ABT 0.40708 0.831325
61 DCP 0.40566 0.835443
62 2DT 0.402062 0.87013
Similar Ligands (3D)
Ligand no: 1; Ligand: FON; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: T3Q; 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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