Receptor
PDB id Resolution Class Description Source Keywords
4RIH 2.22 Å EC: 2.-.-.- CHIMERIC GLYCOSYLTRANSFERASE LANGT2S8AC, CARBASUGAR SUBSTRAT STREPTOMYCES CYANOGENUS, STREPTOMYCES ORGANISM_TAXID: 80860, 1906 GT FOLD C-GLYCOSYLATING 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...
MG B:402;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
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 313 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 277 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 212 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 (2D)
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 T3F 0.6875 0.935065
4 T3Q 0.6875 0.935065
5 18T 0.684211 0.96
6 TRH 0.684211 0.96
7 1JB 0.684211 0.96
8 TYD 0.682353 0.92
9 MMF 0.673469 0.935065
10 TDX 0.666667 0.946667
11 T46 0.663265 0.96
12 0N2 0.663265 0.948052
13 DAU 0.659794 0.934211
14 0FX 0.656566 0.935065
15 1YF 0.653465 0.947368
16 FNF 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 FUH 0.62037 0.960526
26 QUH 0.62037 0.960526
27 9RC 0.57 0.811765
28 TTP MG 0.557895 0.893333
29 T5A 0.529915 0.845238
30 TBD 0.526316 0.884615
31 7SG 0.519685 0.845238
32 TQP 0.519685 0.845238
33 T4K 0.515625 0.857143
34 T5K 0.515625 0.857143
35 0DN 0.5 0.789474
36 LLT 0.494118 0.826667
37 THM 0.494118 0.826667
38 ATY 0.475248 0.921053
39 UFP 0.473118 0.835443
40 AZD 0.466019 0.839506
41 3DR DT DT DT DT DT 0.46087 0.907895
42 THP 0.458333 0.893333
43 T3P 0.456522 0.868421
44 DT ME6 DT 0.454545 0.873418
45 BRU 0.452632 0.835443
46 5HU 0.452632 0.894737
47 TPE 0.45045 0.922078
48 NYM 0.447917 0.883117
49 5IU 0.447917 0.835443
50 FDM 0.447917 0.848101
51 4TA 0.444444 0.811765
52 TXS 0.442105 0.75
53 D3T 0.435644 0.894737
54 BVP 0.435644 0.87013
55 ATM 0.435644 0.82716
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 Ligands (3D)
Ligand no: 1; Ligand: 3R2; Similar ligands found: 2
No: Ligand Similarity coefficient
1 U2F 0.8631
2 UPG 0.8519
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
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