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Receptor
PDB id Resolution Class Description Source Keywords
1Q79 2.15 Å EC: 2.7.7.19 CRYSTAL STRUCTURE OF MAMMALIAN POLY(A) POLYMERASE BOS TAURUS MRNA PROCESSING NUCLEOTIDYL TRANSFERASE TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL INSIGHTS INTO SUBSTRATE AND CATALYTIC MECHANISM OF MAMMALIAN POLY(A) POLYME J.MOL.BIOL. V. 341 911 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3AT A:1000;
Valid;
none;
submit data
491.182 C10 H16 N5 O12 P3 c1nc(...
GOL A:3000;
A:3001;
A:3002;
A:3003;
A:3004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1001;
A:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q79 2.15 Å EC: 2.7.7.19 CRYSTAL STRUCTURE OF MAMMALIAN POLY(A) POLYMERASE BOS TAURUS MRNA PROCESSING NUCLEOTIDYL TRANSFERASE TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL INSIGHTS INTO SUBSTRATE AND CATALYTIC MECHANISM OF MAMMALIAN POLY(A) POLYME J.MOL.BIOL. V. 341 911 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1Q79 - 3AT C10 H16 N5 O12 P3 c1nc(c2c(n....
2 1F5A - 3PO H5 O10 P3 OP(=O)(O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Q79 - 3AT C10 H16 N5 O12 P3 c1nc(c2c(n....
2 1F5A - 3PO H5 O10 P3 OP(=O)(O)O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1Q79 - 3AT C10 H16 N5 O12 P3 c1nc(c2c(n....
2 1F5A - 3PO H5 O10 P3 OP(=O)(O)O....
3 2HHP ic50 = 20 mM FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3AT; Similar ligands found: 173
No: Ligand ECFP6 Tc MDL keys Tc
1 3AT 1 1
2 DTP 0.655172 0.931507
3 7D4 0.654762 0.905405
4 ATP 0.647059 0.971831
5 HEJ 0.647059 0.971831
6 5FA 0.639535 0.971831
7 AQP 0.639535 0.971831
8 DDS 0.617977 0.878378
9 3AD 0.605263 0.830986
10 B4P 0.593023 0.944444
11 AP5 0.593023 0.944444
12 BA3 0.581395 0.944444
13 ADP 0.574713 0.971831
14 DAT 0.573034 0.931507
15 7D3 0.569767 0.905405
16 GH3 0.5625 0.92
17 A2D 0.55814 0.944444
18 2A5 0.549451 0.945205
19 6YZ 0.547368 0.972222
20 25L 0.544554 0.958333
21 SAP 0.543478 0.92
22 ATR 0.543478 0.971429
23 AGS 0.543478 0.92
24 TAT 0.531915 0.932432
25 T99 0.531915 0.932432
26 PAP 0.526882 0.985714
27 AN2 0.516484 0.958333
28 AT4 0.516484 0.932432
29 APR 0.516129 0.944444
30 AR6 0.516129 0.944444
31 ACQ 0.515789 0.972222
32 M33 0.51087 0.931507
33 AD9 0.510638 0.945205
34 A3R 0.51 0.907895
35 7D5 0.505882 0.878378
36 AMP 0.505747 0.943662
37 A 0.505747 0.943662
38 ACP 0.505376 0.972222
39 AV2 0.505155 0.917808
40 ANP 0.5 0.945205
41 NA7 0.5 0.958904
42 128 0.495495 0.776471
43 A1R 0.49505 0.907895
44 A2R 0.494949 0.958333
45 CA0 0.494624 0.918919
46 DA 0.494382 0.90411
47 D5M 0.494382 0.90411
48 A22 0.49 0.958333
49 APC 0.484211 0.958904
50 ADQ 0.480392 0.918919
51 ZDA 0.479167 0.864865
52 ADX 0.478723 0.85
53 A12 0.478261 0.958904
54 AP2 0.478261 0.958904
55 A2P 0.478261 0.957143
56 A3P 0.478261 0.971429
57 ATF 0.474747 0.932432
58 HFD 0.474227 0.92
59 50T 0.473684 0.931507
60 G5P 0.472727 0.896104
61 ABM 0.472527 0.891892
62 9X8 0.471154 0.894737
63 HF7 0.47 0.918919
64 PRX 0.46875 0.868421
65 2AM 0.465909 0.943662
66 5AL 0.464646 0.905405
67 G3A 0.463636 0.896104
68 ITT 0.463158 0.916667
69 3OD 0.462264 0.918919
70 T5A 0.461538 0.841463
71 3AM 0.460674 0.929577
72 OAD 0.457143 0.918919
73 A4P 0.456897 0.821429
74 8QN 0.456311 0.905405
75 SRP 0.455446 0.906667
76 PR8 0.45283 0.85
77 3L1 0.452381 0.797297
78 3D1 0.452381 0.797297
79 PAJ 0.451923 0.860759
80 4AD 0.451923 0.92
81 SRA 0.450549 0.893333
82 OVE 0.450549 0.905405
83 PPS 0.45 0.873418
84 PTJ 0.448598 0.871795
85 AU1 0.447917 0.945205
86 00A 0.447619 0.858974
87 AFH 0.446429 0.884615
88 HDV 0.445545 0.893333
89 UP5 0.443478 0.894737
90 GTA 0.442478 0.8625
91 5SV 0.442308 0.825
92 OOB 0.442308 0.905405
93 25A 0.442308 0.944444
94 AS 0.44086 0.857143
95 V3L 0.44 0.944444
96 B5V 0.439252 0.881579
97 7D7 0.439024 0.743243
98 12D 0.438596 0.785714
99 AMO 0.438095 0.932432
100 SON 0.4375 0.932432
101 AP0 0.435897 0.871795
102 NB8 0.435185 0.896104
103 BIS 0.435185 0.907895
104 TXA 0.435185 0.906667
105 48N 0.434783 0.896104
106 101 0.434783 0.878378
107 ADV 0.434343 0.932432
108 RBY 0.434343 0.932432
109 ADP PO3 0.434343 0.916667
110 DLL 0.433962 0.905405
111 RAB 0.433735 0.819444
112 ADN 0.433735 0.819444
113 XYA 0.433735 0.819444
114 CNA 0.433333 0.906667
115 MAP 0.432692 0.92
116 DND 0.431034 0.906667
117 NXX 0.431034 0.906667
118 NAX 0.431034 0.873418
119 3UK 0.429907 0.893333
120 9SN 0.427273 0.848101
121 LAQ 0.426087 0.817073
122 LAD 0.425926 0.860759
123 WAQ 0.425926 0.883117
124 139 0.425 0.85
125 NPW 0.425 0.886076
126 LMS 0.423913 0.804878
127 103 0.423913 0.837838
128 1ZZ 0.422018 0.817073
129 ME8 0.422018 0.839506
130 NZQ 0.421488 0.909091
131 AHX 0.420561 0.896104
132 GGZ 0.419048 0.825
133 NAI 0.418803 0.883117
134 6V0 0.418803 0.871795
135 TXD 0.418803 0.883117
136 ALF ADP 0.417476 0.846154
137 ADP ALF 0.417476 0.846154
138 DQV 0.417391 0.931507
139 TXE 0.415254 0.883117
140 9ZD 0.415094 0.883117
141 9ZA 0.415094 0.883117
142 A3G 0.414894 0.8
143 XNP 0.414634 0.873418
144 ADP VO4 0.413462 0.905405
145 VO4 ADP 0.413462 0.905405
146 NDP 0.413223 0.896104
147 ADJ 0.413223 0.829268
148 GAP 0.411765 0.868421
149 FA5 0.410714 0.906667
150 B5Y 0.410714 0.87013
151 B5M 0.410714 0.87013
152 YAP 0.410714 0.894737
153 TXP 0.409836 0.896104
154 DGT 0.409524 0.871795
155 5F1 0.409091 0.733333
156 FYA 0.409091 0.905405
157 4UU 0.408696 0.87013
158 80F 0.408 0.841463
159 5N5 0.406977 0.794521
160 NJP 0.406504 0.92
161 NVA 2AD 0.405941 0.759494
162 DAL AMP 0.40566 0.88
163 CC5 0.404762 0.816901
164 ADP BMA 0.40367 0.893333
165 4UV 0.403509 0.87013
166 OMR 0.403361 0.829268
167 0WD 0.403226 0.896104
168 5CD 0.402299 0.780822
169 A4D 0.402299 0.794521
170 AOC 0.4 0.797297
171 2VA 0.4 0.776316
172 A3T 0.4 0.797297
173 M2T 0.4 0.7125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q79; Ligand: 3AT; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 1q79.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1VA6 ADP 1.75097
2 1VA6 P2S 1.75097
3 1FEC FAD 2.04082
4 3ZGJ RMN 2.15633
5 2BS5 BGC GAL FUC 2.22222
6 1A78 TDG 2.23881
7 3WV6 GAL GLC 2.36486
8 3WV6 GAL BGC 2.36486
9 5I49 2KH 2.53906
10 5V2J UDP 2.89532
11 5V2J 7WV 2.89532
12 4D52 GXL 3.1746
13 4D52 GIV 3.1746
14 1SLT NDG GAL 3.73134
15 5H9Q TD2 3.87097
16 5D48 L96 3.94737
17 4OMJ 2TX 3.95683
18 4U03 GTP 3.98126
19 4U03 TLL 3.98126
20 5ML3 DL3 4.02685
21 5A2Z GTP 4.0856
22 1S4M LUM 4.09556
23 5BUK FAD 4.22222
24 5J60 FAD 4.375
25 3WUD GLC GAL 4.41176
26 5DG2 GAL GLC 4.44444
27 5I8T LAC 4.46927
28 6MPT C30 4.47471
29 2P7Q GG6 4.51128
30 6FA4 D1W 4.62428
31 2FB3 GTP 4.70588
32 5ENQ 5QE 4.73373
33 2Q0D ATP 4.81586
34 4OCJ NDG 5.01319
35 5XDT ZI7 5.19481
36 4OIT MAN 5.30973
37 4WW8 VD9 5.32319
38 1NWW HPN 5.36913
39 2R0H CTO 5.4878
40 3JZ0 APC 5.57491
41 5NFB 8VT 5.68182
42 3NV3 GAL NAG MAN 5.7971
43 5E2N V14 6.08365
44 1I82 BGC BGC 6.34921
45 3N7H DE3 6.4
46 1KJ1 MAN 6.42202
47 5CFT 51G 6.48649
48 5CFT APC 6.48649
49 1IS3 LAT 6.66667
50 2GJ5 VD3 6.79012
51 3M3E GAL A2G NPO 6.8323
52 2YMZ LAT 6.92308
53 5LPA 71R 7.77778
54 5LPA ATP 7.77778
55 5T9C G3P 7.83582
56 1KNY APC 7.90514
57 6GNO XDI 8.14815
58 4WUP 3UF 9.23077
59 1ULE GLA GAL NAG 9.33333
60 3VV1 GAL FUC 9.375
61 4NKT 2KH 9.38416
62 1TT8 PHB 9.7561
63 1R89 CTP 10.0687
64 5BSH PRO 10.4693
65 2B56 U5P 10.5058
66 2B56 UTP 10.5058
67 2Q7V FAD 10.5058
68 5W0N UPU 10.9181
69 5W0N 2KH 10.9181
70 5HZ9 5M8 11.1111
71 2D6M LBT 13.2075
72 2F5Z FAD 14.0625
73 5GLT BGC GAL NAG GAL 20.0704
74 2BOS GLA GAL 30.8824
75 2BOS GLA GAL GLC 30.8824
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