Receptor
PDB id Resolution Class Description Source Keywords
4LY3 1.9 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF WLARD, A SUGAR 3N-FORMYL TRANSFERASE IN PRESENCE OF DTPD-QUI3N, DTDP-QUI3NFO, AND 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
1YF B:302;
Valid;
none;
submit data
575.355 C17 H27 N3 O15 P2 C[C@@...
1YJ A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
445.429 C19 H23 N7 O6 c1cc(...
T3Q A:302;
Valid;
none;
submit data
547.345 C16 H27 N3 O14 P2 C[C@@...
MPO B:303;
A:303;
Invalid;
Invalid;
none;
none;
submit data
209.263 C7 H15 N O4 S C1COC...
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 269 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 237 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 187 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
Ligand no: 1; Ligand: 1YF; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 1YF 1 1
2 FNF 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 JHZ 0.581818 0.935897
27 AKM 0.581818 0.936709
28 TMP 0.576087 0.906667
29 T5K 0.55814 0.902439
30 T4K 0.55814 0.902439
31 TBD 0.490196 0.884615
32 T5A 0.488 0.86747
33 DT DT DT 0.481818 0.92
34 DT DT PST 0.465517 0.873418
35 AZD 0.462963 0.8625
36 0DN 0.462366 0.789474
37 DT DT DT DT DT 0.46087 0.921053
38 ATY 0.457944 0.921053
39 THM 0.456522 0.826667
40 LLT 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 BRU 0.421569 0.835443
47 5HU 0.421569 0.894737
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 NYM 0.417476 0.907895
53 FDM 0.417476 0.848101
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
Ligand no: 2; Ligand: 1YJ; Similar ligands found: 26
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 MEF 0.469027 0.84
11 DHF 0.462963 1
12 THH 0.455357 0.733333
13 GHC 0.454545 0.684211
14 3TZ 0.452174 0.774648
15 28Z 0.452174 0.838235
16 29D 0.452174 0.838235
17 29C 0.452174 0.838235
18 83A 0.45045 0.826087
19 GHW 0.449541 0.693333
20 FOL 0.428571 0.863636
21 DZF 0.428571 0.848485
22 LYA 0.422018 0.782609
23 DXY 0.401786 0.777778
24 DXZ 0.401786 0.777778
25 DDF 0.4 0.910448
26 21V 0.4 0.910448
Ligand no: 3; Ligand: T3Q; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 T3Q 1 1
2 T3F 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 0N2 0.71875 0.986842
12 T46 0.71875 0.973333
13 4TG 0.717172 0.986667
14 DAU 0.715789 0.947368
15 TDX 0.705263 0.96
16 QUH 0.701923 0.973684
17 FUH 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 7SG 0.598361 0.879518
28 TQP 0.598361 0.879518
29 T4K 0.568 0.891566
30 T5K 0.568 0.891566
31 T5A 0.521008 0.879518
32 DT DT DT 0.519231 0.907895
33 TBD 0.515464 0.873418
34 DT DT PST 0.5 0.8625
35 DT DT DT DT DT 0.495413 0.909091
36 0DN 0.488636 0.779221
37 THM 0.482759 0.815789
38 LLT 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 BRU 0.443299 0.825
49 5HU 0.443299 0.883117
50 D3T 0.441176 0.883117
51 ATM 0.441176 0.839506
52 DUT 0.441176 0.868421
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 BVP 0.427184 0.858974
58 T3S 0.424242 0.78481
59 ABT 0.40708 0.831325
60 DCP 0.40566 0.835443
61 2DT 0.402062 0.87013
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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