Receptor
PDB id Resolution Class Description Source Keywords
4RIF 1.85 Å EC: 2.-.-.- LANDOMYCIN GLYCOSYLTRANSFERASE LANGT2, CARBASUGAR SUBSTRATE STREPTOMYCES CYANOGENUS GT FOLD GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF O- AND C-GLYCOSYLATI VARIANTS OF THE LANDOMYCIN GLYCOSYLTRANSFERASE LANG ANGEW.CHEM.INT.ED.ENGL. V. 54 2811 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3R2 B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
530.357 C17 H28 N2 O13 P2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RIF 1.85 Å EC: 2.-.-.- LANDOMYCIN GLYCOSYLTRANSFERASE LANGT2, CARBASUGAR SUBSTRATE STREPTOMYCES CYANOGENUS GT FOLD GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF O- AND C-GLYCOSYLATI VARIANTS OF THE LANDOMYCIN GLYCOSYLTRANSFERASE LANG ANGEW.CHEM.INT.ED.ENGL. V. 54 2811 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4RIH - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
2 4RII - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 4RIF - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4RIH - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
2 4RII - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 4RIF - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4RIH - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
2 4RII - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
3 4RIF - 3R2 C17 H28 N2 O13 P2 C[C@H]1C[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3R2; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 3R2 1 1
2 TTP 0.689655 0.92
3 T3Q 0.6875 0.935065
4 T3F 0.6875 0.935065
5 1JB 0.684211 0.96
6 TRH 0.684211 0.96
7 18T 0.684211 0.96
8 TYD 0.682353 0.92
9 MMF 0.673469 0.935065
10 TDX 0.666667 0.946667
11 0N2 0.663265 0.948052
12 T46 0.663265 0.96
13 DAU 0.659794 0.934211
14 0FX 0.656566 0.935065
15 FNF 0.653465 0.947368
16 1YF 0.653465 0.947368
17 DWN 0.653061 0.935065
18 3YN 0.653061 0.96
19 QDM 0.643564 0.898734
20 JHZ 0.637255 0.935897
21 4TG 0.631068 0.947368
22 TLO 0.625 0.921053
23 TMP 0.623529 0.906667
24 AKM 0.621359 0.936709
25 QUH 0.62037 0.960526
26 FUH 0.62037 0.960526
27 T5A 0.529915 0.845238
28 TBD 0.526316 0.884615
29 7SG 0.519685 0.845238
30 TQP 0.519685 0.845238
31 T4K 0.515625 0.857143
32 T5K 0.515625 0.857143
33 DT DT DT 0.514563 0.92
34 0DN 0.5 0.789474
35 DT DT PST 0.495413 0.873418
36 THM 0.494118 0.826667
37 LLT 0.494118 0.826667
38 DT DT DT DT DT 0.490741 0.921053
39 ATY 0.475248 0.921053
40 UFP 0.473118 0.835443
41 AZD 0.466019 0.839506
42 THP 0.458333 0.893333
43 T3P 0.456522 0.868421
44 DT ME6 DT 0.454545 0.873418
45 5HU 0.452632 0.894737
46 BRU 0.452632 0.835443
47 TPE 0.45045 0.922078
48 5IU 0.447917 0.835443
49 FDM 0.447917 0.848101
50 NYM 0.447917 0.883117
51 4TA 0.444444 0.811765
52 TXS 0.442105 0.75
53 D3T 0.435644 0.894737
54 ATM 0.435644 0.82716
55 BVP 0.435644 0.87013
56 DUT 0.435644 0.88
57 T3S 0.43299 0.772152
58 DUD 0.424242 0.88
59 ABT 0.401786 0.819277
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RIF; Ligand: 3R2; 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: 4rif.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RIF; Ligand: 3R2; 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: 4rif.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback