Receptor
PDB id Resolution Class Description Source Keywords
3ER9 2.06 Å EC: 2.7.7.19 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
613.342 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ER9 2.06 Å EC: 2.7.7.19 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 5 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 4 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 3 families.
1 3ER9 - U U n/a n/a
2 2GA9 - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
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
Ligand no: 2; Ligand: U U ; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 U U 1 1
2 U U U U 0.839506 0.984848
3 U A A U 0.678571 0.88
4 U A 0.645455 0.88
5 UDP UDP 0.638554 0.954545
6 UTP U U U 0.630435 0.939394
7 UPU 0.6 0.955224
8 U5P 0.585366 0.969697
9 U 0.585366 0.969697
10 44P 0.564706 0.914286
11 UDP 0.563218 0.955224
12 G U 0.5625 0.822785
13 A U 0.544643 0.842105
14 C C 0.536082 0.914286
15 UTP 0.527473 0.955224
16 2KH 0.521739 0.927536
17 C C C C 0.52 0.901408
18 A U C C 0.519685 0.820513
19 G C C C 0.516129 0.846154
20 UNP 0.510638 0.927536
21 CSV 0.509434 0.864865
22 CSQ 0.509434 0.864865
23 A G U U 0.507463 0.8125
24 URM 0.5 0.914286
25 GUD 0.5 0.927536
26 G G G C 0.5 0.835443
27 660 0.5 0.914286
28 UPG 0.5 0.927536
29 GDU 0.5 0.927536
30 U3P 0.5 0.925373
31 UFM 0.5 0.927536
32 UA3 0.5 0.925373
33 UDH 0.49 0.828947
34 UPF 0.485437 0.876712
35 UAD 0.485437 0.927536
36 UDX 0.485437 0.927536
37 U2F 0.485437 0.876712
38 URI 0.481481 0.823529
39 A G U 0.481203 0.8125
40 Y6W 0.480392 0.876712
41 UGA 0.47619 0.941176
42 USQ 0.47619 0.810127
43 UGB 0.47619 0.941176
44 UPP 0.475248 0.927536
45 UFG 0.471154 0.876712
46 UDM 0.46789 0.901408
47 3UC 0.46729 0.876712
48 G3N 0.457944 0.901408
49 PUP 0.457143 0.9
50 A G C C 0.448819 0.833333
51 CTP C C C C 0.448276 0.9
52 CJB 0.447059 0.808824
53 UD1 0.446429 0.914286
54 UD2 0.446429 0.914286
55 G C 0.439024 0.822785
56 UD7 0.438596 0.914286
57 HP7 0.438596 0.927536
58 MJZ 0.434783 0.901408
59 12V 0.431034 0.888889
60 F5P 0.431034 0.901408
61 HWU 0.431034 0.888889
62 F5G 0.431034 0.914286
63 UD4 0.431034 0.901408
64 U4S 0.423913 0.743243
65 IUG 0.423729 0.822785
66 EEB 0.418033 0.888889
67 U2P 0.417582 0.911765
68 U2S 0.414894 0.780822
69 U3S 0.414894 0.767123
70 G G 0.413793 0.797468
71 EPZ 0.409836 0.901408
72 EPU 0.406504 0.888889
73 PMP UD1 0.405797 0.8
74 UDZ 0.404959 0.866667
75 UP5 0.404959 0.842105
76 U A C C 0.403101 0.831169
77 A C A C 0.403101 0.820513
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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