Receptor
PDB id Resolution Class Description Source Keywords
6WUG 1.9 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF S. POMBE RAI1 IN COMPLEX WITH 3'-FADP SCHIZOSACCHAROMYCES POMBE FAD 3-prime -FADP RNA CAP DECAPPING HYDROLASE RAI1
Ref.: DXO/RAI1 ENZYMES REMOVE 5'-END FAD AND DEPHOSPHO-CO RNAS. NUCLEIC ACIDS RES. V. 48 6136 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UBG A:403;
 Valid;
 none;
 submit data
865.53 C27 H34 N9 O18 P3 Cc1cc...
MG A:401;
A:402;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
CSS A:182;
 Invalid;
 none;
 submit data
153.223 C3 H7 N O2 S2 C([C@...
EDO A:404;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6WUG 1.9 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF S. POMBE RAI1 IN COMPLEX WITH 3'-FADP SCHIZOSACCHAROMYCES POMBE FAD 3-prime -FADP RNA CAP DECAPPING HYDROLASE RAI1
Ref.: DXO/RAI1 ENZYMES REMOVE 5'-END FAD AND DEPHOSPHO-CO RNAS. NUCLEIC ACIDS RES. V. 48 6136 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 6WUI - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
2 6WUG - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 6WUI - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
2 6WUG - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 6WUI - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
2 6WUG - UBG C27 H34 N9 O18 P3 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UBG; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 UBG 1 1
2 FAD 0.845588 0.987654
3 FAS 0.845588 0.987654
4 FAY 0.72973 0.975309
5 RFL 0.724832 0.952381
6 6FA 0.682432 0.97561
7 FAE 0.647059 0.97561
8 SFD 0.549383 0.851064
9 FDA 0.540373 0.918605
10 FMN 0.534351 0.888889
11 PAP 0.51145 0.851852
12 FNK 0.508876 0.88764
13 62F 0.508876 0.927711
14 FAJ 0.505618 0.963855
15 F2N 0.497175 0.897727
16 JNT 0.485714 0.865854
17 PUA 0.46875 0.858824
18 PPS 0.467153 0.766667
19 A3P 0.465649 0.839506
20 ETB 0.4625 0.833333
21 DCA 0.4625 0.844444
22 FA9 0.461538 0.951807
23 COA 0.447853 0.844444
24 0T1 0.447853 0.844444
25 0WD 0.446541 0.847059
26 3KK 0.446429 0.826087
27 CA6 0.443787 0.752475
28 RBF 0.443609 0.780488
29 FCX 0.443114 0.817204
30 FAM 0.443114 0.826087
31 6YU 0.441624 0.870968
32 HAX 0.440476 0.826087
33 AMX 0.439759 0.853933
34 COS 0.439759 0.826087
35 30N 0.439759 0.77551
36 CAO 0.439759 0.817204
37 CMX 0.437126 0.844444
38 SCO 0.437126 0.844444
39 FAD NBT 0.436464 0.849462
40 OXK 0.435294 0.826087
41 KGP 0.435294 0.752475
42 YZS 0.435294 0.752475
43 COK 0.435294 0.826087
44 ACO 0.434524 0.817204
45 SO5 0.433526 0.745098
46 MCA 0.433526 0.817204
47 YE1 0.433526 0.855556
48 LCV 0.433526 0.745098
49 P6G FDA 0.432432 0.897727
50 9BG 0.43125 0.891566
51 CNV FAD 0.430939 0.91954
52 2MC 0.430233 0.791667
53 FYN 0.429412 0.844444
54 KGJ 0.427746 0.8125
55 A1S 0.427746 0.826087
56 IVC 0.427746 0.835165
57 1CZ 0.426966 0.817204
58 MCD 0.426901 0.826087
59 SOP 0.426901 0.826087
60 COO 0.425287 0.826087
61 CMC 0.424419 0.826087
62 NMX 0.424419 0.802083
63 1VU 0.424419 0.817204
64 CO6 0.424419 0.826087
65 YXR 0.422857 0.752475
66 YXS 0.422857 0.752475
67 PAX 0.422619 0.829545
68 CAJ 0.421965 0.826087
69 SCD 0.421965 0.844444
70 KGA 0.420455 0.804124
71 KFV 0.420455 0.795918
72 IRC 0.420455 0.835165
73 3AM 0.419847 0.804878
74 1HE 0.41954 0.808511
75 3HC 0.41954 0.835165
76 MLC 0.41954 0.826087
77 BCO 0.41954 0.826087
78 N9V 0.418994 0.817204
79 CAA 0.417143 0.835165
80 GRA 0.41573 0.826087
81 DAL FAD PER 0.414894 0.847826
82 SCA 0.414773 0.826087
83 MC4 0.414773 0.783505
84 2CP 0.414773 0.817204
85 0ET 0.414365 0.808511
86 01A 0.414365 0.810526
87 P5F 0.413978 0.952941
88 TGC 0.413408 0.817204
89 COW 0.412429 0.857143
90 CA8 0.412429 0.77
91 2KQ 0.412429 0.808511
92 1GZ 0.412429 0.817204
93 HGG 0.412429 0.826087
94 COF 0.412429 0.808511
95 3CP 0.412429 0.826087
96 BYC 0.412429 0.846154
97 1CV 0.412088 0.826087
98 FAD CNX 0.411765 0.822917
99 FAD T2C 0.410526 0.829787
100 FAQ 0.410112 0.846154
101 BCA 0.410112 0.836957
102 4CA 0.410112 0.836957
103 NHM 0.409836 0.808511
104 NHW 0.409836 0.808511
105 UOQ 0.409836 0.808511
106 4CO 0.40884 0.836957
107 MYA 0.40884 0.808511
108 UCC 0.40884 0.808511
109 DCC 0.40884 0.808511
110 MFK 0.40884 0.808511
111 0FQ 0.40884 0.846154
112 5F9 0.40884 0.808511
113 ST9 0.40884 0.808511
114 HXC 0.407821 0.808511
115 APU 0.40625 0.845238
116 A22 0.40411 0.876543
117 S0N 0.403315 0.866667
118 CO8 0.403315 0.808511
119 2NE 0.403315 0.847826
120 CIC 0.403315 0.826087
121 HDC 0.402174 0.808511
122 4KX 0.402174 0.819149
123 HFQ 0.4 0.847826
124 MRR 0.4 0.808511
125 MRS 0.4 0.808511
Similar Ligands (3D)
Ligand no: 1; Ligand: UBG; 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 : 6WUG; Ligand: UBG; 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: 6wug.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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