Receptor
PDB id Resolution Class Description Source Keywords
3ER9 2.06 Å EC: 2.1.1.57 CRYSTAL STRUCTURE OF THE HETERODIMERIC VACCINIA VIRUS MRNA POLYADENYLATE POLYMERASE COMPLEX WITH UU AND 3'-DEOXY ATP VACCINIA VIRUS WR POLYADENYLATE POLYMERASE TRANSLOCATION SINGLE TRANDED RNA POLYMERASE RNA PROTEIN COMPLEX PROCESSIVITY HETERODIMERNUCLEOTIDYLTRANSFERASE POXVIRUS; METHYLTRANSFERASE MRNA CMRNA PROCESSING S-ADENOSYL-L-METHIONINE TRANSCRIPTION TRANSFERASE TRANSFERASE-RNA COMPLEX
Ref.: POLYMERASE TRANSLOCATION WITH RESPECT TO SINGLE-STR NUCLEIC ACID: LOOPING OR WRAPPING OF PRIMER AROUND POLYMERASE STRUCTURE V. 17 680 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3AT B:800;
 Valid;
 none;
 submit data
491.182 C10 H16 N5 O12 P3 c1nc(...
CA B:901;
B:902;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
GOL A:880;
A:890;
A:900;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
U U D:600;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ER9 2.06 Å EC: 2.1.1.57 CRYSTAL STRUCTURE OF THE HETERODIMERIC VACCINIA VIRUS MRNA POLYADENYLATE POLYMERASE COMPLEX WITH UU AND 3'-DEOXY ATP VACCINIA VIRUS WR POLYADENYLATE POLYMERASE TRANSLOCATION SINGLE TRANDED RNA POLYMERASE RNA PROTEIN COMPLEX PROCESSIVITY HETERODIMERNUCLEOTIDYLTRANSFERASE POXVIRUS; METHYLTRANSFERASE MRNA CMRNA PROCESSING S-ADENOSYL-L-METHIONINE TRANSCRIPTION TRANSFERASE TRANSFERASE-RNA COMPLEX
Ref.: POLYMERASE TRANSLOCATION WITH RESPECT TO SINGLE-STR NUCLEIC ACID: LOOPING OR WRAPPING OF PRIMER AROUND POLYMERASE STRUCTURE V. 17 680 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3ER9 - U U n/a n/a
2 2GA9 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ER9 - U U n/a n/a
2 2GA9 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ER9 - U U n/a n/a
2 2GA9 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3AT; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 3AT 1 1
2 CUU 0.891892 1
3 DTP 0.655172 0.931507
4 7D4 0.654762 0.905405
5 ATP 0.647059 0.971831
6 HEJ 0.647059 0.971831
7 AQP 0.639535 0.971831
8 5FA 0.639535 0.971831
9 DDS 0.617977 0.878378
10 3AD 0.605263 0.830986
11 B4P 0.593023 0.944444
12 AP5 0.593023 0.944444
13 BA3 0.581395 0.944444
14 ADP 0.574713 0.971831
15 DAT 0.573034 0.931507
16 7D3 0.569767 0.905405
17 GH3 0.5625 0.92
18 A2D 0.55814 0.944444
19 2A5 0.549451 0.945205
20 6YZ 0.547368 0.972222
21 25L 0.544554 0.958333
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 AT4 0.516484 0.932432
28 AN2 0.516484 0.958333
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 A 0.505747 0.943662
37 AMP 0.505747 0.943662
38 ACP 0.505376 0.972222
39 AV2 0.505155 0.917808
40 NA7 0.5 0.958904
41 ANP 0.5 0.945205
42 128 0.495495 0.776471
43 A1R 0.49505 0.907895
44 HQG 0.494949 0.958333
45 A2R 0.494949 0.958333
46 CA0 0.494624 0.918919
47 D5M 0.494382 0.90411
48 DA 0.494382 0.90411
49 A22 0.49 0.958333
50 KG4 0.489362 0.918919
51 APC 0.484211 0.958904
52 ADQ 0.480392 0.918919
53 ZDA 0.479167 0.864865
54 ADX 0.478723 0.85
55 A3P 0.478261 0.971429
56 AP2 0.478261 0.958904
57 A2P 0.478261 0.957143
58 A12 0.478261 0.958904
59 JNT 0.475728 0.945205
60 ATF 0.474747 0.932432
61 JSQ 0.474227 0.92
62 HFD 0.474227 0.92
63 50T 0.473684 0.931507
64 G5P 0.472727 0.896104
65 45A 0.472527 0.891892
66 ABM 0.472527 0.891892
67 9X8 0.471154 0.894737
68 HF7 0.47 0.918919
69 PRX 0.46875 0.868421
70 AMP MG 0.466667 0.902778
71 2AM 0.465909 0.943662
72 8LE 0.464646 0.87013
73 5AL 0.464646 0.905405
74 DZ4 0.464646 0.906667
75 G3A 0.463636 0.896104
76 ITT 0.463158 0.916667
77 3OD 0.462264 0.918919
78 T5A 0.461538 0.841463
79 QA7 0.460784 0.87013
80 8LQ 0.460784 0.906667
81 3AM 0.460674 0.929577
82 OAD 0.457143 0.918919
83 A4P 0.456897 0.821429
84 8QN 0.456311 0.905405
85 SRP 0.455446 0.906667
86 8LH 0.455446 0.881579
87 PR8 0.45283 0.85
88 ADP MG 0.452632 0.916667
89 ADP BEF 0.452632 0.916667
90 3D1 0.452381 0.797297
91 3L1 0.452381 0.797297
92 PAJ 0.451923 0.860759
93 4AD 0.451923 0.92
94 SRA 0.450549 0.893333
95 OVE 0.450549 0.905405
96 PPS 0.45 0.873418
97 APC MG 0.44898 0.891892
98 PTJ 0.448598 0.871795
99 AU1 0.447917 0.945205
100 00A 0.447619 0.858974
101 AFH 0.446429 0.884615
102 HDV 0.445545 0.893333
103 VO4 ADP 0.445545 0.918919
104 UP5 0.443478 0.894737
105 GTA 0.442478 0.8625
106 25A 0.442308 0.944444
107 OOB 0.442308 0.905405
108 5SV 0.442308 0.825
109 OZV 0.442308 0.944444
110 AS 0.44086 0.857143
111 V3L 0.44 0.944444
112 B5V 0.439252 0.881579
113 7D7 0.439024 0.743243
114 12D 0.438596 0.785714
115 AMO 0.438095 0.932432
116 SON 0.4375 0.932432
117 KMQ 0.436364 0.906667
118 AP0 0.435897 0.871795
119 TXA 0.435185 0.906667
120 NB8 0.435185 0.896104
121 BIS 0.435185 0.907895
122 101 0.434783 0.878378
123 48N 0.434783 0.896104
124 RBY 0.434343 0.932432
125 ADV 0.434343 0.932432
126 ATP MG 0.434343 0.916667
127 ADP PO3 0.434343 0.916667
128 DLL 0.433962 0.905405
129 ADN 0.433735 0.819444
130 RAB 0.433735 0.819444
131 XYA 0.433735 0.819444
132 CNA 0.433333 0.906667
133 MAP 0.432692 0.92
134 NAX 0.431034 0.873418
135 DND 0.431034 0.906667
136 BEF ADP 0.43 0.891892
137 3UK 0.429907 0.893333
138 9SN 0.427273 0.848101
139 LAQ 0.426087 0.817073
140 WAQ 0.425926 0.883117
141 LAD 0.425926 0.860759
142 139 0.425 0.85
143 NPW 0.425 0.886076
144 103 0.423913 0.837838
145 LMS 0.423913 0.804878
146 ME8 0.422018 0.839506
147 1ZZ 0.422018 0.817073
148 V2G 0.421569 0.896104
149 NZQ 0.421488 0.909091
150 AHX 0.420561 0.896104
151 GGZ 0.419048 0.825
152 TXD 0.418803 0.883117
153 6V0 0.418803 0.871795
154 NAI 0.418803 0.883117
155 ANP MG 0.417476 0.905405
156 ALF ADP 0.417476 0.846154
157 DQV 0.417391 0.931507
158 TXE 0.415254 0.883117
159 9ZA 0.415094 0.883117
160 9ZD 0.415094 0.883117
161 A3G 0.414894 0.8
162 XNP 0.414634 0.873418
163 ADJ 0.413223 0.829268
164 NDP 0.413223 0.896104
165 GAP 0.411765 0.868421
166 B5Y 0.410714 0.87013
167 FA5 0.410714 0.906667
168 B5M 0.410714 0.87013
169 TXP 0.409836 0.896104
170 DGT 0.409524 0.871795
171 FYA 0.409091 0.905405
172 5F1 0.409091 0.733333
173 4UU 0.408696 0.87013
174 80F 0.408 0.841463
175 5N5 0.406977 0.794521
176 NJP 0.406504 0.92
177 NVA 2AD 0.405941 0.759494
178 DAL AMP 0.40566 0.88
179 CC5 0.404762 0.816901
180 ADP BMA 0.40367 0.893333
181 4UV 0.403509 0.87013
182 OMR 0.403361 0.829268
183 0WD 0.403226 0.896104
184 5CD 0.402299 0.780822
185 NWW 0.402299 0.736111
186 A4D 0.402299 0.794521
187 J4G 0.4 0.92
188 L3W 0.4 0.906667
189 2VA 0.4 0.776316
190 AOC 0.4 0.797297
191 M2T 0.4 0.7125
192 A3T 0.4 0.797297
Ligand no: 2; Ligand: U U ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: 3AT; Similar ligands found: 19
No: Ligand Similarity coefficient
1 GTP 0.9677
2 UTP 0.9158
3 2KH 0.8966
4 ADP ALF 0.8902
5 TTP 0.8877
6 CTP 0.8869
7 SSA 0.8856
8 P5A 0.8845
9 2TM 0.8794
10 TSB 0.8784
11 GCP 0.8730
12 DUP 0.8719
13 MGT 0.8706
14 GNP 0.8675
15 8DG 0.8673
16 DUT 0.8618
17 D3T 0.8588
18 8X1 0.8582
19 G5A 0.8521
Ligand no: 2; Ligand: U U ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 U U 0.9999
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ER9; Ligand: 3AT; 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: 3er9.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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