-->
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: 141
This union binding pocket(no: 1) in the query (biounit: 4rif.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6BT4 KPM None
2 1U4L H1S None
3 4X7R UDP 1.31926
4 4X7R 3YW 1.31926
5 4X7R NTO 1.31926
6 2VT3 ATP 1.39535
7 2QK4 ATP 1.58311
8 4D52 GIV 1.5873
9 4D52 GXL 1.5873
10 3UB7 ACM 1.65746
11 4O48 ASP 1.80723
12 1TZD ADP 1.81818
13 5OLK DTP 1.86047
14 5H2U 1N1 1.87266
15 1KYZ SAH 1.91781
16 5ZCT ANP 1.96078
17 4HE2 AMP 2.07101
18 3NOJ PYR 2.10084
19 3THR C2F 2.11082
20 3SIX GDP 2.12121
21 4GN8 ASO 2.34114
22 5LPB ADP 2.36486
23 6F3G CJN 2.37288
24 2Z48 A2G 2.37467
25 2Z49 AMG 2.37467
26 3CV2 OXL 2.37467
27 3BER AMP 2.40964
28 3COB ADP 2.43902
29 4YG6 GAL NAG 2.45399
30 3UN3 G16 2.50627
31 5NM7 GLY 2.63158
32 3CV3 UDP 2.63852
33 5ZI9 FLC 2.69231
34 2Y7P SAL 2.75229
35 3NB0 G6P 2.90237
36 1D4D SIN 2.90237
37 6CUZ FEV 2.90237
38 1GOJ ADP 3.09859
39 2WME NAP 3.16623
40 3BEO UDP 3.2
41 1SQL GUN 3.42466
42 5V2J UDP 3.43008
43 5V2J 7WV 3.43008
44 2R68 SUP 3.43008
45 3U7Q HCA 3.43008
46 4ZLA BES 3.43008
47 3OKP GDD 3.43008
48 1XVB BHL 3.52941
49 4U00 ADP 3.68852
50 4CQM NAP 3.68852
51 4C2G ALA ALA ALA ALA 3.69393
52 5WBF LAC 3.7037
53 4CS9 AMP 3.7037
54 6G33 5ID 3.83481
55 6H45 QEI 3.95778
56 1T9D PYD 3.95778
57 5N53 8NB 4.10256
58 2F7A BEZ 4.31034
59 6HKE LMR 4.40252
60 6HKE MLT 4.40252
61 1P7T PYR 4.48549
62 2DTJ THR 4.49438
63 1DMH MCT 4.50161
64 6EJI UD2 4.55764
65 3HBN UDP 4.60993
66 2J5V PCA 4.63215
67 3FSY SCA 4.81928
68 3FCI 3FI 4.93274
69 2VCH UDP 5.01319
70 4PQG UDP 5.01319
71 4A59 AMP 5.01319
72 4LEB THR THR THR THR THR THR THR 5.01319
73 1U1I NAD 5.01319
74 1XMY ROL 5.01319
75 5M45 AMP 5.01319
76 1FWV SGA MAG FUC 5.22388
77 5MUL BDP 5.27704
78 6D28 NEC 5.49451
79 6BK3 UDP 5.5409
80 5Z21 OXM 5.5409
81 2YRX AMP 5.5409
82 5ZXD ATP 5.5409
83 1TD2 PXL 5.57491
84 4BIX ADP 5.7047
85 5WXK TYD 5.71429
86 1TZJ A3B 5.91716
87 1SBR VIB 6
88 2ACV UDP 6.0686
89 5Z20 OXM 6.08696
90 5LY1 PPI 6.33245
91 5NTD BES 6.33245
92 1RM0 D6P 6.33245
93 5EFQ ADP 6.34328
94 4NZ6 DGL 6.38978
95 3LTW HLZ 6.42857
96 1VM6 NAD 6.57895
97 4REL KMP 6.59631
98 2P3V SRT 6.64062
99 3EPO MP5 6.86275
100 4XSU UDP 7.12401
101 4XSU GLC 7.12401
102 1RZU ADP 7.12401
103 4X1T UDP 7.38786
104 4L9Z OXL 7.38786
105 1M7G AV2 8.05687
106 1NX0 ALA LYS ALA ILE ALA 8.09249
107 4XFR CIT 8.43091
108 2OWZ CIT 8.43373
109 2QZS 250 8.44327
110 2QZS GLC 8.44327
111 2QZS ADP 8.44327
112 3VPD ANP 8.54093
113 1XDS SAM 9.09091
114 3DLS ADP 9.23483
115 2J1E NDG GAL 9.33333
116 1PBK RAP 9.48276
117 5W8X UDP 9.68586
118 5BQ5 ADP BEF 10.0529
119 3HBF UDP 10.2902
120 3HBF MYC 10.2902
121 5ZYN SIN 10.5541
122 3S2U UD1 10.8179
123 3KDM TES 11.9266
124 1NLM UD1 12.1372
125 2CJU PHX 12.3894
126 5E5U MLI 12.8788
127 1JA9 PYQ 13.1387
128 2C1X UDP 14.0351
129 3GUZ PAF 14.7727
130 3IAA TYD 15.1442
131 3RSC TYD 15.1807
132 1QZZ SAM 15.8311
133 2YIP YIO 16.6667
134 2IYA UDP 19.7889
135 5LXM ADP 28.9474
136 2IYF UDP 31.1346
137 3H4T UDP 34.3008
138 3UYK 0CX 45.9103
139 3OTI TYD 47.7573
140 3OTH TYD 49.6042
141 3OTH CLJ 49.6042
Pocket No.: 2; Query (leader) PDB : 4RIF; Ligand: 3R2; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 4rif.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3CYQ AMU None
2 4FRZ ADP 2.37467
3 2OG2 MLI 3.06407
4 1M1B SPV 3.38983
5 2AWN ADP 3.43008
6 3HW5 AMP 3.44828
7 3BP1 GUN 3.44828
8 5H4S RAM 3.52113
9 2OEM 1AE 3.69393
10 3H4S ADP 3.7037
11 1T9D P22 3.95778
12 3FIU POP 4.41767
13 5VRH PLM 5.01319
14 5B0I BOG 5.53936
15 3GWZ SAH 5.96206
16 4TQK NAG 6.33245
17 2OFW ADX 8.17308
18 5ENZ UDP 8.17942
19 5LV1 78T 8.21429
20 3ZIA ADP 9.52381
21 4U60 SIA GAL NGA 11.4286
APoc FAQ
Feedback