Receptor
PDB id Resolution Class Description Source Keywords
3V3L 1.65 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF HUMAN RNF146 WWE DOMAIN IN COMPLEX WITH ADPRIBOSE HOMO SAPIENS LIGASE
Ref.: RECOGNITION OF THE ISO-ADP-RIBOSE MOIETY IN POLY(AD BY WWE DOMAINS SUGGESTS A GENERAL MECHANISM FOR POLY(ADP-RIBOSYL)ATION-DEPENDENT UBIQUITINATION. GENES DEV. V. 26 235 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
V3L A:1;
B:1;
Valid;
Valid;
none;
none;
Kd ~ 370 nM
559.316 C15 H23 N5 O14 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V3L 1.65 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF HUMAN RNF146 WWE DOMAIN IN COMPLEX WITH ADPRIBOSE HOMO SAPIENS LIGASE
Ref.: RECOGNITION OF THE ISO-ADP-RIBOSE MOIETY IN POLY(AD BY WWE DOMAINS SUGGESTS A GENERAL MECHANISM FOR POLY(ADP-RIBOSYL)ATION-DEPENDENT UBIQUITINATION. GENES DEV. V. 26 235 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 3V3L Kd ~ 370 nM V3L C15 H23 N5 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3V3L Kd ~ 370 nM V3L C15 H23 N5 O14 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3V3L Kd ~ 370 nM V3L C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: V3L; Similar ligands found: 239
No: Ligand ECFP6 Tc MDL keys Tc
1 V3L 1 1
2 AR6 AR6 0.705263 0.944444
3 A2P 0.7 0.957143
4 A 0.6375 0.971429
5 AMP 0.6375 0.971429
6 25A 0.612903 0.971831
7 ATR 0.595506 0.943662
8 7D5 0.580247 0.878378
9 A2R 0.574468 0.985915
10 2AM 0.573171 0.916667
11 A22 0.568421 0.958333
12 A3P 0.563218 0.971429
13 HQG 0.557895 0.985915
14 OVE 0.552941 0.88
15 AN2 0.550562 0.958333
16 45A 0.54023 0.917808
17 ABM 0.54023 0.917808
18 A2D 0.54023 0.944444
19 ADP 0.539326 0.971831
20 AMP MG 0.534884 0.929577
21 NA7 0.53 0.932432
22 25L 0.529412 0.958333
23 BA3 0.52809 0.944444
24 A12 0.52809 0.932432
25 AP2 0.52809 0.932432
26 ADQ 0.525253 0.945205
27 AP5 0.522222 0.944444
28 B4P 0.522222 0.944444
29 HEJ 0.521739 0.971831
30 ATP 0.521739 0.971831
31 SRA 0.517241 0.918919
32 AT4 0.516484 0.932432
33 APC 0.516129 0.932432
34 AQP 0.516129 0.971831
35 2A5 0.516129 0.893333
36 5FA 0.516129 0.971831
37 3AM 0.511628 0.929577
38 AU1 0.51087 0.945205
39 ADX 0.51087 0.85
40 M33 0.51087 0.931507
41 CA0 0.51087 0.945205
42 AGS 0.510638 0.92
43 XYA 0.506329 0.819444
44 RAB 0.506329 0.819444
45 ADN 0.506329 0.819444
46 50T 0.505376 0.931507
47 ACP 0.505376 0.945205
48 KG4 0.505376 0.945205
49 PRX 0.5 0.893333
50 AR6 0.5 0.971831
51 ADP BMA 0.5 0.918919
52 T99 0.5 0.932432
53 ADP BEF 0.5 0.943662
54 TAT 0.5 0.932432
55 APR 0.5 0.971831
56 ADP MG 0.5 0.943662
57 PO4 PO4 A A A A PO4 0.5 0.902778
58 ACQ 0.5 0.945205
59 7D3 0.5 0.88
60 8LE 0.494845 0.92
61 ADV 0.494737 0.932432
62 AD9 0.494737 0.945205
63 PAP 0.494737 0.957747
64 RBY 0.494737 0.932432
65 7D4 0.494624 0.88
66 ATF 0.489796 0.932432
67 6YZ 0.484848 0.945205
68 ANP 0.484536 0.945205
69 SON 0.483871 0.958904
70 J4G 0.480769 0.945946
71 5AL 0.479592 0.958333
72 PPS 0.479592 0.85
73 V2G 0.479592 0.921053
74 ADP PO3 0.479167 0.943662
75 ATP MG 0.479167 0.943662
76 APC MG 0.479167 0.917808
77 DA 0.477778 0.878378
78 D5M 0.477778 0.878378
79 PTJ 0.47619 0.921053
80 5N5 0.47561 0.794521
81 VO4 ADP 0.474747 0.945205
82 BEF ADP 0.474227 0.917808
83 LMS 0.47191 0.82716
84 OAD 0.471154 0.945205
85 9X8 0.471154 0.92
86 9ZD 0.470588 0.933333
87 OOB 0.470588 0.958333
88 9ZA 0.470588 0.933333
89 5SV 0.470588 0.848101
90 8LH 0.47 0.932432
91 SRP 0.47 0.932432
92 GAP 0.469388 0.918919
93 ODP 0.466102 0.884615
94 PAJ 0.466019 0.884615
95 4AD 0.466019 0.92
96 A3R 0.466019 0.883117
97 KMQ 0.462963 0.932432
98 FYA 0.462264 0.905405
99 NPW 0.461538 0.8625
100 NDP 0.461538 0.896104
101 DLL 0.461538 0.958333
102 MAP 0.460784 0.92
103 QA7 0.460784 0.92
104 8LQ 0.460784 0.932432
105 ANP MG 0.46 0.931507
106 AV2 0.46 0.891892
107 ALF ADP 0.46 0.87013
108 TXP 0.457627 0.896104
109 NZQ 0.457627 0.884615
110 5AS 0.457447 0.77907
111 3UK 0.457143 0.945205
112 7D7 0.45679 0.743243
113 OZV 0.456311 0.944444
114 8QN 0.456311 0.958333
115 NJP 0.453782 0.92
116 EP4 0.453488 0.753247
117 LAD 0.45283 0.884615
118 B5V 0.45283 0.932432
119 A4D 0.452381 0.794521
120 5CD 0.452381 0.805556
121 A1R 0.451923 0.883117
122 AMO 0.451923 0.932432
123 XNP 0.45 0.85
124 BIS 0.448598 0.907895
125 3OD 0.448598 0.945205
126 TXA 0.448598 0.932432
127 ME8 0.448598 0.8625
128 1ZZ 0.448598 0.8625
129 DTA 0.448276 0.786667
130 00A 0.447619 0.907895
131 AHX 0.447619 0.871795
132 JNT 0.447619 0.918919
133 DAL AMP 0.446602 0.931507
134 A3G 0.445652 0.776316
135 AOC 0.445652 0.821918
136 DSH 0.445652 0.725
137 G5A 0.444444 0.77907
138 5X8 0.443299 0.786667
139 CUU 0.443299 0.944444
140 MTA 0.443182 0.773333
141 3AT 0.44 0.944444
142 PR8 0.439252 0.873418
143 WAQ 0.439252 0.907895
144 FA5 0.436364 0.932432
145 NB8 0.435185 0.896104
146 JB6 0.435185 0.883117
147 6RE 0.434783 0.759494
148 3DH 0.433333 0.773333
149 XAH 0.432432 0.839506
150 M2T 0.431818 0.734177
151 MYR AMP 0.431193 0.839506
152 TM1 0.431193 0.795181
153 VRT 0.43 0.746835
154 DAT 0.428571 0.88
155 2VA 0.428571 0.776316
156 4UV 0.428571 0.92
157 OMR 0.42735 0.851852
158 9SN 0.427273 0.896104
159 KL2 0.426966 0.837838
160 NMN AMP PO4 0.42623 0.87013
161 LAQ 0.426087 0.8625
162 DTP 0.425743 0.88
163 IMO 0.425532 0.929577
164 G3A 0.424779 0.896104
165 ZAS 0.423913 0.766234
166 UPA 0.423729 0.883117
167 ATP A 0.423423 0.930556
168 B5M 0.423423 0.92
169 ATP A A A 0.423423 0.930556
170 B5Y 0.423423 0.92
171 A3S 0.42268 0.786667
172 NAP 0.421875 0.945205
173 AFH 0.421053 0.884615
174 6MZ 0.421053 0.930556
175 7MD 0.421053 0.8625
176 G5P 0.421053 0.896104
177 S4M 0.421053 0.666667
178 ARG AMP 0.421053 0.851852
179 NVA 2AD 0.42 0.7375
180 LQJ 0.419643 0.917808
181 101 0.419355 0.878378
182 GGZ 0.419048 0.802469
183 TSB 0.419048 0.797619
184 TAP 0.418605 0.907895
185 1DG 0.418605 0.896104
186 NWW 0.418605 0.736111
187 DG1 0.418605 0.896104
188 A5A 0.417476 0.807229
189 TAD 0.417391 0.860759
190 71V 0.416667 0.883117
191 MAO 0.416667 0.759036
192 N01 0.416 0.905405
193 AMP DBH 0.415929 0.893333
194 SO8 0.415842 0.766234
195 NA0 0.415385 0.932432
196 TYM 0.415254 0.932432
197 H1Q 0.414141 0.90411
198 SSA 0.413462 0.77907
199 LSS 0.411215 0.761364
200 NSS 0.411215 0.77907
201 J7C 0.410526 0.769231
202 LPA AMP 0.410256 0.839506
203 5AD 0.409639 0.746479
204 VMS 0.409524 0.788235
205 52H 0.409524 0.77907
206 54H 0.409524 0.788235
207 4UU 0.408696 0.92
208 GA7 0.408696 0.881579
209 ANZ 0.408696 0.8
210 ACK 0.408602 0.861111
211 QQY 0.408602 0.815789
212 N6P 0.407407 0.915493
213 B1U 0.40708 0.736264
214 NAX 0.40678 0.85
215 6V0 0.40678 0.871795
216 4UW 0.40678 0.884615
217 AMZ 0.406593 0.890411
218 C2R 0.406593 0.90411
219 8BR 0.40625 0.906667
220 GJV 0.40625 0.75
221 A5D 0.405941 0.786667
222 5CA 0.40566 0.77907
223 8X1 0.40566 0.752809
224 53H 0.40566 0.77907
225 DQV 0.405172 0.931507
226 GTA 0.405172 0.8625
227 7L1 0.40458 0.775281
228 V1N 0.403509 0.944444
229 3AD 0.402299 0.805556
230 CO7 0.40146 0.784091
231 KAA 0.4 0.752809
232 YLC 0.4 0.8625
233 AP0 0.4 0.871795
234 L3W 0.4 0.906667
235 P5A 0.4 0.744444
236 SFG 0.4 0.773333
237 7MC 0.4 0.841463
238 A3T 0.4 0.797297
239 NEC 0.4 0.723684
Similar Ligands (3D)
Ligand no: 1; Ligand: V3L; 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 : 3V3L; Ligand: V3L; 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: 3v3l.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V3L; Ligand: V3L; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3v3l.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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