Receptor
PDB id Resolution Class Description Source Keywords
4OTV 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF IN CELLULO OPEROPHTERA BRUMATA CPV18 OPEROPHTERA BRUMATA CYPOVIRUS 18 OCCLUSION BODY POLYHEDRA MICROCRYSTALS NATURAL CRYSTAL TOVIRUS VIRAL PROTEIN
Ref.: IN CELLULO STRUCTURE DETERMINATION OF A NOVEL CYPOV POLYHEDRIN. ACTA CRYSTALLOGR.,SECT.D V. 70 1435 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:301;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GTP A:302;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:304;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ATP A:303;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MQW 2.4 Å NON-ENZYME: OTHER HIGH-SPEED FIXED-TARGET SERIAL VIRUS CRYSTALLOGRAPHY OPEROPHTERA BRUMATA CYPOVIRUS 18 VIRAL PROTEIN CYPOVIRUS POLYHEDRIN CPV18
Ref.: HIGH-SPEED FIXED-TARGET SERIAL VIRUS CRYSTALLOGRAPH NAT. METHODS V. 14 805 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4X35 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5MQW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4OTS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5A9P - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4OTV - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5GQL - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 2OH6 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 5EXZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5EXY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 2OH7 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 5GQJ - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 5AXU - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
8 2OH5 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
9 5GQI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5GQM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 5AXV - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
12 4X35 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 5MQW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4OTS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 5A9P - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
16 4OTV - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5GQL - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 2OH6 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 5EXZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5EXY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 2OH7 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 5GQJ - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 5AXU - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
8 2OH5 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
9 5GQI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5GQM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 5AXV - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
12 4X35 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 5MQW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 4OTS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 5A9P - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
16 4OTV - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GTP; Similar ligands found: 155
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GDP BEF 0.696629 0.935065
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GTP MG 0.688889 0.96
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GH3 0.681319 0.973333
37 YGP 0.677083 0.901235
38 G3D 0.67033 0.986486
39 GDP AF3 0.659574 0.888889
40 GDP ALF 0.659574 0.888889
41 DGT 0.659341 0.923077
42 GMP 0.658228 0.88
43 G4P 0.655914 0.986486
44 JB3 0.653846 0.948718
45 NGD 0.647619 0.961039
46 QBQ 0.644444 0.986486
47 CAG 0.642202 0.880952
48 2MD 0.62963 0.891566
49 MGP 0.619565 0.961039
50 U2G 0.616822 0.936709
51 6G0 0.612903 0.961039
52 MGD 0.612613 0.891566
53 KB7 0.608696 0.82716
54 TPG 0.608696 0.840909
55 CG2 0.605505 0.936709
56 GDP 7MG 0.601942 0.911392
57 FEG 0.601852 0.879518
58 ZGP 0.59633 0.869048
59 PGD 0.591304 0.925
60 MD1 0.591304 0.891566
61 3GP 0.590909 0.946667
62 GPX 0.581633 0.946667
63 CZF 0.580645 0.933333
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 KBD 0.564356 0.82716
68 2GP 0.555556 0.96
69 FE9 0.555556 0.776596
70 G4M 0.547619 0.880952
71 BGO 0.544643 0.924051
72 KBJ 0.542857 0.797619
73 HEJ 0.537634 0.92
74 ATP 0.537634 0.92
75 G1G 0.533898 0.925
76 AQP 0.531915 0.92
77 5FA 0.531915 0.92
78 JSQ 0.520833 0.873418
79 HFD 0.520833 0.873418
80 R7I 0.520408 0.946667
81 R5I 0.520408 0.946667
82 01G 0.518868 0.902439
83 I2C FE2 CMO CMO 0.516667 0.808989
84 ITT 0.510638 0.868421
85 P2G 0.510638 0.883117
86 AKW 0.504348 0.890244
87 GGM 0.504274 0.901235
88 G1R G1R 0.504065 0.924051
89 DG 0.5 0.910256
90 DGP 0.5 0.910256
91 PGD O 0.5 0.850575
92 MGO 0.5 0.864198
93 P1G 0.5 0.871795
94 GTA 0.495495 0.936709
95 PRT 0.490741 0.959459
96 AP5 0.489362 0.894737
97 IMP 0.489362 0.959459
98 B4P 0.489362 0.894737
99 7DT 0.484536 0.906667
100 GPC 0.479339 0.879518
101 G C 0.478992 0.9
102 BA3 0.478723 0.894737
103 ADP 0.473684 0.92
104 G2Q 0.471698 0.961039
105 6YZ 0.470588 0.896104
106 G7M 0.46875 0.948052
107 C1Z 0.462963 0.986486
108 25L 0.458716 0.907895
109 A2D 0.457447 0.894737
110 RGT 0.45045 0.909091
111 AGS 0.45 0.873418
112 SGP 0.44898 0.82716
113 A4P 0.445378 0.869048
114 ANP 0.441176 0.896104
115 8GT 0.441176 0.875
116 ACQ 0.441176 0.896104
117 APC G U 0.440945 0.886076
118 AT4 0.438776 0.884615
119 6AD 0.436893 0.841463
120 UP5 0.432203 0.873418
121 35G 0.431373 0.933333
122 C2E 0.431373 0.921053
123 PCG 0.431373 0.933333
124 5GP 5GP 0.427184 0.883117
125 TAT 0.427184 0.884615
126 T99 0.427184 0.884615
127 APR 0.425743 0.894737
128 AR6 0.425743 0.894737
129 AN2 0.424242 0.907895
130 7DD 0.424242 0.906667
131 AD9 0.421569 0.896104
132 7D4 0.42 0.835443
133 M33 0.42 0.883117
134 UCG 0.419847 0.911392
135 HDV 0.419048 0.825
136 H6Y 0.419048 0.946667
137 GZ0 0.416667 0.948718
138 ACP 0.415842 0.896104
139 T5A 0.414634 0.802326
140 A3R 0.412844 0.839506
141 MGQ 0.412844 0.935897
142 A1R 0.412844 0.839506
143 ADQ 0.412844 0.871795
144 HQG 0.411215 0.907895
145 MGT 0.411215 0.823529
146 93A 0.41 0.833333
147 A22 0.407407 0.907895
148 CA0 0.405941 0.896104
149 ATF 0.40566 0.884615
150 M7G A2M G 0.405229 0.808989
151 AGO 0.404762 0.888889
152 NYZ 0.403846 0.935897
153 KG4 0.401961 0.896104
154 MGV 0.401786 0.890244
155 CGP 0.4 0.86747
Ligand no: 2; Ligand: ATP; Similar ligands found: 489
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 HEJ 1 1
3 AQP 0.985507 1
4 5FA 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 6YZ 0.833333 0.972222
12 AT4 0.810811 0.958904
13 AN2 0.810811 0.985915
14 25L 0.809524 0.985915
15 APR 0.802632 0.971831
16 AR6 0.802632 0.971831
17 M33 0.8 0.958333
18 ACQ 0.794872 0.972222
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 AD9 0.792208 0.972222
22 ACP 0.789474 0.972222
23 A 0.788732 0.971429
24 AMP 0.788732 0.971429
25 ANP 0.772152 0.972222
26 HQG 0.756098 0.985915
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 KG4 0.74359 0.945205
32 PRX 0.734177 0.893333
33 APC 0.734177 0.958904
34 ABM 0.733333 0.917808
35 45A 0.733333 0.917808
36 ATF 0.731707 0.958904
37 7D4 0.730769 0.905405
38 ITT 0.730769 0.943662
39 AMP MG 0.72973 0.929577
40 ADQ 0.729412 0.945205
41 A3R 0.729412 0.907895
42 AP2 0.714286 0.958904
43 A12 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 JNT 0.701149 0.945205
47 5AL 0.698795 0.931507
48 8LE 0.698795 0.894737
49 ADP MG 0.696203 0.943662
50 ADP BEF 0.696203 0.943662
51 JSQ 0.695122 0.945946
52 HFD 0.695122 0.945946
53 9X8 0.693182 0.92
54 OAD 0.693182 0.945205
55 AU1 0.6875 0.972222
56 APC MG 0.682927 0.917808
57 8LH 0.682353 0.906667
58 SRP 0.682353 0.906667
59 G5P 0.680851 0.921053
60 25A 0.678161 0.971831
61 OZV 0.678161 0.971831
62 3OD 0.677778 0.945205
63 4AD 0.670455 0.92
64 G3A 0.670213 0.921053
65 8LQ 0.666667 0.906667
66 QA7 0.666667 0.894737
67 00A 0.662921 0.883117
68 ADP PO3 0.662651 0.943662
69 RBY 0.662651 0.932432
70 ADV 0.662651 0.932432
71 ATP MG 0.662651 0.943662
72 BIS 0.659341 0.933333
73 5SV 0.659091 0.848101
74 OOB 0.659091 0.931507
75 8QN 0.659091 0.931507
76 GTA 0.65625 0.886076
77 KMQ 0.655914 0.932432
78 BEF ADP 0.654762 0.917808
79 UP5 0.653061 0.92
80 AMO 0.651685 0.932432
81 PAJ 0.651685 0.884615
82 VO4 ADP 0.651163 0.945205
83 2A5 0.650602 0.918919
84 MAP 0.647727 0.945946
85 3AT 0.647059 0.971831
86 AHX 0.644444 0.896104
87 DLL 0.644444 0.931507
88 ATR 0.642857 0.971429
89 PAP 0.642857 0.985714
90 PTJ 0.641304 0.896104
91 V2G 0.639535 0.896104
92 7D3 0.6375 0.905405
93 3UK 0.637363 0.918919
94 SON 0.634146 0.932432
95 A4P 0.633663 0.843373
96 ANP MG 0.632184 0.931507
97 ALF ADP 0.632184 0.87013
98 LAD 0.630435 0.860759
99 PR8 0.630435 0.85
100 B5V 0.630435 0.906667
101 WAQ 0.630435 0.883117
102 AFH 0.628866 0.884615
103 LMS 0.628205 0.82716
104 DTP 0.627907 0.905405
105 GAP 0.627907 0.893333
106 TXA 0.623656 0.932432
107 ME8 0.623656 0.839506
108 NB8 0.623656 0.896104
109 1ZZ 0.623656 0.839506
110 FYA 0.623656 0.905405
111 DQV 0.622449 0.958333
112 T5A 0.621359 0.841463
113 XYA 0.619718 0.84507
114 RAB 0.619718 0.84507
115 ADN 0.619718 0.84507
116 DAL AMP 0.611111 0.905405
117 9SN 0.610526 0.871795
118 48N 0.61 0.896104
119 AP0 0.607843 0.896104
120 9ZD 0.604396 0.907895
121 9ZA 0.604396 0.907895
122 B5M 0.604167 0.894737
123 B5Y 0.604167 0.894737
124 FA5 0.604167 0.906667
125 NAX 0.60396 0.873418
126 DND 0.60396 0.932432
127 NAI 0.60396 0.907895
128 6V0 0.60396 0.896104
129 TXD 0.60396 0.907895
130 ADP BMA 0.602151 0.918919
131 A2R 0.6 0.985915
132 OMR 0.598039 0.851852
133 TXE 0.598039 0.907895
134 XAH 0.597938 0.839506
135 7DT 0.593023 0.985714
136 AOC 0.592593 0.821918
137 L3W 0.592233 0.932432
138 4UV 0.591837 0.894737
139 DDS 0.590909 0.878378
140 139 0.590476 0.873418
141 CNA 0.584906 0.932432
142 6AD 0.58427 0.909091
143 5AS 0.583333 0.77907
144 5N5 0.581081 0.819444
145 GA7 0.58 0.906667
146 4UU 0.58 0.894737
147 4TC 0.576923 0.896104
148 ADJ 0.575472 0.851852
149 5CD 0.573333 0.805556
150 A4D 0.573333 0.819444
151 RGT 0.571429 0.958904
152 A3P 0.571429 0.971429
153 7D5 0.56962 0.878378
154 LAQ 0.568627 0.839506
155 NO7 0.565217 0.932432
156 F2R 0.564815 0.864198
157 80F 0.563636 0.841463
158 CUU 0.563218 0.971831
159 YLP 0.563107 0.819277
160 UPA 0.561905 0.907895
161 AV2 0.56044 0.917808
162 COD 0.559633 0.811765
163 4UW 0.557692 0.860759
164 JB6 0.556701 0.883117
165 3AM 0.555556 0.929577
166 ATP A 0.555556 0.930556
167 ATP A A A 0.555556 0.930556
168 A2P 0.552941 0.957143
169 TYM 0.552381 0.906667
170 NA7 0.552083 0.958904
171 EP4 0.551282 0.753247
172 MYR AMP 0.55102 0.817073
173 PPS 0.549451 0.873418
174 YLB 0.54717 0.819277
175 YLC 0.54717 0.839506
176 DAT 0.545455 0.905405
177 NAD 0.545455 0.931507
178 H1Q 0.545455 0.90411
179 G5A 0.544444 0.77907
180 DTA 0.544304 0.786667
181 M2T 0.544304 0.734177
182 3DH 0.54321 0.773333
183 128 0.542857 0.776471
184 AHZ 0.538462 0.817073
185 SSA 0.537634 0.8
186 GTP 0.537634 0.92
187 MTA 0.5375 0.773333
188 IOT 0.537037 0.831325
189 A3D 0.535714 0.918919
190 AR6 AR6 0.533981 0.917808
191 ARG AMP 0.533981 0.829268
192 7MD 0.533981 0.8625
193 YLA 0.53211 0.819277
194 IMO 0.529412 0.929577
195 AMP DBH 0.529412 0.893333
196 TAD 0.528846 0.884615
197 AYB 0.527273 0.809524
198 HDV 0.526882 0.893333
199 A5A 0.526882 0.807229
200 TSB 0.526316 0.819277
201 EAD 0.525424 0.873418
202 2AM 0.52439 0.943662
203 6RE 0.52381 0.759494
204 6MZ 0.523256 0.930556
205 7DD 0.522727 0.985714
206 CZF 0.521739 0.931507
207 V3L 0.521739 0.971831
208 AVV 0.520833 0.896104
209 BTX 0.517857 0.841463
210 NAE 0.517241 0.894737
211 QBQ 0.516129 0.906667
212 52H 0.515789 0.77907
213 VMS 0.515789 0.788235
214 54H 0.515789 0.788235
215 NSS 0.515464 0.8
216 BT5 0.513274 0.831325
217 NAQ 0.512821 0.871795
218 ZAS 0.511905 0.766234
219 A3N 0.511628 0.786667
220 J7C 0.511628 0.769231
221 5X8 0.511111 0.763158
222 5CA 0.510417 0.8
223 53H 0.510417 0.77907
224 8X1 0.510417 0.752809
225 NVA LMS 0.510204 0.752809
226 ARU 0.510204 0.860759
227 ALF ADP 3PG 0.509259 0.8375
228 AF3 ADP 3PG 0.509259 0.8375
229 38V 0.508475 0.886076
230 ZID 0.508475 0.918919
231 P1H 0.508197 0.851852
232 OVE 0.505882 0.905405
233 S4M 0.505747 0.666667
234 LEU LMS 0.50505 0.730337
235 LPA AMP 0.504673 0.817073
236 NAD TDB 0.504587 0.917808
237 7MC 0.504587 0.841463
238 NAD IBO 0.504587 0.917808
239 D4F 0.504274 0.839506
240 P5A 0.5 0.744444
241 DZD 0.5 0.884615
242 DSZ 0.5 0.8
243 MAO 0.5 0.759036
244 DSH 0.5 0.725
245 LSS 0.5 0.761364
246 FB0 0.5 0.804598
247 NDE 0.495935 0.932432
248 N0B 0.495798 0.819277
249 M24 0.495726 0.85
250 YLY 0.495726 0.809524
251 NJP 0.495575 0.945946
252 9K8 0.49505 0.714286
253 MGP 0.494737 0.884615
254 6C6 0.494624 0.881579
255 O02 0.494624 0.921053
256 NWW 0.493671 0.760563
257 NAJ PZO 0.491379 0.848101
258 0WD 0.491228 0.921053
259 6G0 0.489583 0.884615
260 GJV 0.488636 0.75
261 6FA 0.488189 0.841463
262 5AD 0.486842 0.746479
263 KAA 0.485149 0.752809
264 GSU 0.485149 0.77907
265 71V 0.483146 0.907895
266 NEC 0.482759 0.746667
267 A3G 0.482759 0.8
268 ODP 0.482456 0.909091
269 K3K 0.480769 0.802632
270 FAS 0.48062 0.851852
271 FAD 0.48062 0.851852
272 7D7 0.480519 0.743243
273 FDA 0.480315 0.833333
274 N6P 0.48 0.915493
275 2SA 0.479167 0.932432
276 GP3 0.478723 0.921053
277 AMP NAD 0.478261 0.905405
278 SFG 0.478261 0.75
279 4TA 0.478261 0.807229
280 NDP 0.477876 0.921053
281 NPW 0.477876 0.886076
282 LQJ 0.47619 0.917808
283 NDC 0.47619 0.871795
284 YSA 0.47619 0.77907
285 NAJ PYZ 0.475 0.807229
286 MGO 0.474227 0.860759
287 NZQ 0.473684 0.909091
288 TXP 0.473684 0.921053
289 6IA 0.473684 0.8375
290 GDP 0.473684 0.92
291 A7D 0.472527 0.776316
292 J4G 0.470588 0.92
293 SFD 0.469231 0.734043
294 SA8 0.468085 0.707317
295 A5D 0.468085 0.786667
296 ZDA 0.468085 0.864865
297 12D 0.46789 0.785714
298 PGS 0.467391 0.883117
299 MHZ 0.467391 0.697674
300 8PZ 0.466667 0.8
301 62F 0.466165 0.8625
302 D5M 0.465909 0.878378
303 DA 0.465909 0.878378
304 GGZ 0.464646 0.825
305 SAH 0.463158 0.74359
306 SAI 0.463158 0.734177
307 FAY 0.462687 0.8625
308 Y3J 0.4625 0.726027
309 B1U 0.462264 0.736264
310 PO4 PO4 A A A A PO4 0.460784 0.902778
311 AAM 0.460674 0.971429
312 RFL 0.459259 0.821429
313 SMM 0.459184 0.686047
314 HF7 0.459184 0.893333
315 C2R 0.458824 0.90411
316 AMZ 0.458824 0.916667
317 SAM 0.458333 0.690476
318 K3E 0.457944 0.792208
319 A3S 0.456522 0.810811
320 FNK 0.455224 0.804598
321 7C5 0.453704 0.818182
322 AAT 0.453608 0.707317
323 EEM 0.453608 0.690476
324 NWQ 0.453488 0.739726
325 XNP 0.452991 0.873418
326 PRT 0.45283 0.931507
327 K2R 0.451923 0.88
328 AIR 0.451219 0.901408
329 62X 0.45098 0.666667
330 KOY 0.45045 0.802632
331 GSP 0.45 0.873418
332 ETB 0.45 0.833333
333 DCA 0.45 0.823529
334 N5O 0.449438 0.763158
335 NIA 0.448276 0.822785
336 A3T 0.446809 0.821918
337 K15 0.446602 0.682353
338 PUA 0.446281 0.884615
339 QXP 0.445545 0.785714
340 6K6 0.445545 0.930556
341 GEK 0.445545 0.7375
342 4YB 0.445455 0.761364
343 V47 0.444444 0.783784
344 S7M 0.444444 0.690476
345 DG1 0.443548 0.921053
346 1DG 0.443548 0.921053
347 Z5A 0.443548 0.77907
348 COA 0.442623 0.823529
349 0T1 0.442623 0.823529
350 WSA 0.442478 0.788235
351 8BR 0.43956 0.906667
352 N5A 0.43956 0.736842
353 DZ4 0.438776 0.881579
354 8Q2 0.438596 0.772727
355 101 0.438202 0.878378
356 IDP 0.4375 0.918919
357 NVA 2AD 0.4375 0.759494
358 9JJ 0.435714 0.8625
359 KY2 0.435644 0.731707
360 NAP 0.435484 0.945205
361 K2W 0.435185 0.740741
362 APU 0.434783 0.894737
363 7RP 0.433333 0.928571
364 QXG 0.432692 0.776471
365 A6D 0.432692 0.722892
366 TAP 0.432 0.907895
367 AMX 0.432 0.833333
368 COS 0.432 0.804598
369 CAO 0.432 0.795455
370 J7V 0.432 0.833333
371 30N 0.432 0.752688
372 V1N 0.431193 0.917808
373 KL2 0.430233 0.837838
374 K38 0.429907 0.779221
375 649 0.429825 0.744444
376 P5F 0.429577 0.823529
377 NA0 0.428571 0.932432
378 7RA 0.428571 0.957747
379 SCO 0.428571 0.823529
380 R2V 0.428571 0.785714
381 CMX 0.428571 0.823529
382 0UM 0.427184 0.698795
383 KYB 0.427184 0.731707
384 GAV 0.427184 0.884615
385 1RB 0.426966 0.885714
386 QQY 0.426966 0.815789
387 ACK 0.426966 0.861111
388 GCP 0.425743 0.896104
389 G1R 0.425743 0.907895
390 ACO 0.425197 0.795455
391 FCX 0.425197 0.795455
392 FAM 0.425197 0.804598
393 OZP 0.424779 0.728395
394 O05 0.424528 0.843373
395 GNH 0.424242 0.907895
396 F2N 0.423611 0.813953
397 K2H 0.423077 0.75641
398 GKE 0.422018 0.884615
399 GDC 0.422018 0.884615
400 K3H 0.422018 0.75
401 GDD 0.422018 0.884615
402 KYE 0.422018 0.714286
403 HAX 0.421875 0.804598
404 3AD 0.421687 0.805556
405 9GM 0.421569 0.896104
406 GNP 0.421569 0.896104
407 FA9 0.42069 0.864198
408 TM1 0.420561 0.77381
409 KY5 0.420561 0.725
410 KB1 0.420561 0.698795
411 9BG 0.420168 0.896104
412 H6Y 0.42 0.945205
413 2MC 0.419847 0.769231
414 KXW 0.419643 0.707317
415 FYN 0.418605 0.823529
416 3KK 0.418605 0.804598
417 S8M 0.417476 0.759494
418 7L1 0.417323 0.795455
419 26A 0.416667 0.763158
420 2VA 0.416667 0.8
421 NHD 0.416667 0.905405
422 HZ2 0.415929 0.731707
423 QQX 0.41573 0.805195
424 CA6 0.415385 0.729167
425 OXK 0.415385 0.804598
426 MCD 0.415385 0.804598
427 SOP 0.415385 0.804598
428 COK 0.415385 0.804598
429 YZS 0.415385 0.729167
430 KGP 0.415385 0.729167
431 KY8 0.415094 0.728395
432 K2K 0.415094 0.7375
433 FAJ 0.414966 0.831325
434 NX8 0.414141 0.716049
435 Q34 0.413793 0.674419
436 YE1 0.413534 0.813953
437 RMB 0.413043 0.873239
438 FAI 0.413043 0.916667
439 AS 0.413043 0.833333
440 CO6 0.412214 0.804598
441 1VU 0.412214 0.795455
442 NMX 0.412214 0.76087
443 CMC 0.412214 0.804598
444 SXZ 0.411215 0.710843
445 ANZ 0.410714 0.8
446 SCA 0.410448 0.804598
447 SCD 0.409091 0.823529
448 CAJ 0.409091 0.804598
449 NAD BBN 0.408759 0.841463
450 HY8 0.408696 0.731707
451 EO7 0.408602 0.788235
452 D3Y 0.407767 0.789474
453 CC5 0.407407 0.816901
454 KGA 0.407407 0.744681
455 KH3 0.40708 0.674419
456 PLP AAD 0.406504 0.733333
457 SLU 0.406504 0.770115
458 G 0.40625 0.906667
459 5GP 0.40625 0.906667
460 MLC 0.406015 0.804598
461 KGJ 0.406015 0.752688
462 1HE 0.406015 0.786517
463 3HC 0.406015 0.813953
464 A1S 0.406015 0.804598
465 IVC 0.406015 0.813953
466 BCO 0.406015 0.804598
467 GTG 0.405405 0.886076
468 NMN AMP PO4 0.404959 0.87013
469 Q2P 0.404959 0.674419
470 3D1 0.404762 0.773333
471 3L1 0.404762 0.773333
472 2BA 0.404255 0.915493
473 CMP 0.404255 0.901408
474 VRT 0.40404 0.769231
475 SO8 0.40404 0.789474
476 MCA 0.402985 0.795455
477 COO 0.402985 0.804598
478 CAA 0.402985 0.813953
479 SO5 0.402985 0.721649
480 LCV 0.402985 0.721649
481 NAD CJ3 0.402878 0.811765
482 3NZ 0.401869 0.782051
483 G2R 0.401869 0.884615
484 YXS 0.4 0.729167
485 2CP 0.4 0.795455
486 2FA 0.4 0.813333
487 YXR 0.4 0.729167
488 ZZB 0.4 0.77381
489 MC4 0.4 0.76087
Similar Ligands (3D)
Ligand no: 1; Ligand: GTP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 BEF GDP 0.9967
2 ALF GDP 0.9831
3 BEF ADP 0.9768
4 DTP 0.9699
5 8DG 0.9681
6 3AT 0.9677
7 APC 0.9540
8 GDP MG 0.9519
9 ADP BEF 0.9514
10 ADP ALF 0.9503
11 ADP AF3 0.9408
12 ALF ADP 0.9332
13 HF7 0.9242
14 UTP 0.9210
15 DZ4 0.9149
16 CTP 0.9139
17 AMO 0.9072
18 ADP MG 0.9070
19 DSZ 0.8952
20 2KH 0.8870
21 TTP 0.8866
22 6U4 0.8793
23 54H 0.8791
24 VO4 ADP 0.8791
25 EEM 0.8762
26 ATP MG 0.8751
27 SSA 0.8728
28 5AL 0.8707
29 SAM 0.8703
30 KAA 0.8702
31 2TM 0.8697
32 DCP 0.8670
33 DAT 0.8669
34 ADX 0.8660
35 GSU 0.8654
36 SFG 0.8645
37 8X1 0.8616
38 A5A 0.8614
39 D3T 0.8609
40 G5A 0.8580
41 RSN 0.8567
Ligand no: 2; Ligand: ATP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 ADP AF3 0.9964
2 ADP ALF 0.9801
3 ADP VO4 0.9704
4 BEF GDP 0.9696
5 GDP ALF 0.9646
6 GDP AF3 0.9633
7 GDP BEF 0.9621
8 ALF GDP 0.9621
9 DBG 0.9581
10 CTP 0.9340
11 UTP 0.9337
12 GDP MG 0.9246
13 DGT 0.9177
14 DCP 0.9141
15 DCP MG 0.9114
16 8DG 0.9051
17 MGT 0.9049
18 6U4 0.8990
19 2KH 0.8972
20 MSP 0.8951
21 TTP 0.8917
22 MOD 0.8909
23 8GT 0.8879
24 G2P 0.8852
25 DGI 0.8847
26 2TM 0.8819
27 L3U 0.8814
28 M7G 0.8804
29 GP2 0.8802
30 DUT 0.8788
31 UNP 0.8786
32 Y9Z 0.8773
33 F6G 0.8769
34 DUP 0.8755
35 GH3 0.8730
36 D3T 0.8684
37 0RC 0.8650
38 BUP 0.8621
39 DUT MG 0.8599
40 UDP 0.8570
41 TYR AMP 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MQW; Ligand: ATP; 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: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MQW; Ligand: ATP; 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: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MQW; Ligand: ATP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5MQW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5MQW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5MQW; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5mqw.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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