Receptor
PDB id Resolution Class Description Source Keywords
4UCI 2.21 Å EC: 7.-.-.- X-RAY STRUCTURE AND ACTIVITIES OF AN ESSENTIAL MONONEGAVIRAL PROTEIN DOMAIN HUMAN METAPNEUMOVIRUS TRANSFERASE METHYLTRANSFERASE CAPPING L PROTEIN S-ADENOSMETHIONINE ROSSMANN GTP ADENOSINE TRIPHOSPHATASE
Ref.: X-RAY STRUCTURE AND ACTIVITIES OF AN ESSENTIAL MONONEGAVIRALES L-PROTEIN DOMAIN. NAT.COMMUN. V. 6 8749 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:2412;
B:2413;
B:2414;
A:2413;
B:2411;
A:2412;
A:2411;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ADN A:2414;
B:2415;
Valid;
Valid;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
GTP A:2410;
B:2410;
Valid;
Valid;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
ZN A:2408;
B:2408;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
SAM A:2409;
B:2409;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UCI 2.21 Å EC: 7.-.-.- X-RAY STRUCTURE AND ACTIVITIES OF AN ESSENTIAL MONONEGAVIRAL PROTEIN DOMAIN HUMAN METAPNEUMOVIRUS TRANSFERASE METHYLTRANSFERASE CAPPING L PROTEIN S-ADENOSMETHIONINE ROSSMANN GTP ADENOSINE TRIPHOSPHATASE
Ref.: X-RAY STRUCTURE AND ACTIVITIES OF AN ESSENTIAL MONONEGAVIRALES L-PROTEIN DOMAIN. NAT.COMMUN. V. 6 8749 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4UCI - ADN C10 H13 N5 O4 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 217 families.
1 4UCI - ADN C10 H13 N5 O4 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 181 families.
1 4UCI - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADN; Similar ligands found: 286
No: Ligand ECFP6 Tc MDL keys Tc
1 XYA 1 1
2 ADN 1 1
3 RAB 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 5AD 0.672727 0.854839
16 6RE 0.671875 0.830986
17 SRA 0.671875 0.797297
18 AMP MG 0.661538 0.819444
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 A3N 0.651515 0.923077
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 A12 0.632353 0.810811
32 AP2 0.632353 0.810811
33 BA3 0.632353 0.84507
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 AP5 0.623188 0.84507
37 5AS 0.623188 0.714286
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 5X8 0.619718 0.865672
41 SON 0.614286 0.786667
42 A7D 0.614286 0.909091
43 APC 0.611111 0.810811
44 AQP 0.611111 0.84507
45 5FA 0.611111 0.84507
46 2FA 0.606557 0.924242
47 26A 0.606557 0.893939
48 M33 0.605634 0.833333
49 CA0 0.605634 0.821918
50 AU1 0.605634 0.821918
51 MHZ 0.605634 0.75641
52 ADP MG 0.605634 0.808219
53 ADX 0.605634 0.759494
54 AGS 0.60274 0.8
55 AD9 0.60274 0.821918
56 SAP 0.60274 0.8
57 2AM 0.6 0.842857
58 SFG 0.597222 0.850746
59 50T 0.597222 0.833333
60 BEF ADP 0.597222 0.786667
61 ACP 0.597222 0.821918
62 ADP BEF 0.597222 0.786667
63 MTP 0.590164 0.852941
64 APR 0.589041 0.84507
65 PRX 0.589041 0.797297
66 AR6 0.589041 0.84507
67 A3G 0.588235 0.938462
68 TAT 0.586667 0.810811
69 ACQ 0.586667 0.821918
70 A3P 0.585714 0.816901
71 RBY 0.581081 0.810811
72 ADV 0.581081 0.810811
73 SA8 0.581081 0.794521
74 ADP PO3 0.581081 0.842857
75 A5D 0.581081 0.865672
76 1DA 0.580645 1
77 6MD 0.580645 0.952381
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 SAI 0.573333 0.828571
82 ATP MG 0.573333 0.808219
83 G5A 0.573333 0.714286
84 A22 0.56962 0.833333
85 GAP 0.565789 0.821918
86 ANP 0.565789 0.821918
87 SAM 0.565789 0.773333
88 NEC 0.565217 0.876923
89 3AD 0.564516 0.951613
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 AAT 0.558442 0.819444
93 5AL 0.558442 0.808219
94 EEM 0.558442 0.773333
95 ATF 0.551282 0.810811
96 ADP ALF 0.551282 0.776316
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 VO4 ADP 0.544304 0.808219
102 ADP VO4 0.544304 0.808219
103 SSA 0.544304 0.73494
104 SMM 0.544304 0.74359
105 ANP MG 0.544304 0.776316
106 S7M 0.544304 0.773333
107 SRP 0.544304 0.810811
108 QQX 0.544118 0.756757
109 S8M 0.54321 0.805556
110 ADP BMA 0.542169 0.847222
111 A2P 0.541667 0.802817
112 3D1 0.539683 0.907692
113 3L1 0.539683 0.907692
114 PAP 0.539474 0.830986
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 VMS 0.5375 0.702381
118 LSS 0.536585 0.678161
119 ACK 0.536232 0.811594
120 QQY 0.536232 0.767123
121 A3T 0.533333 0.968254
122 TSB 0.530864 0.731707
123 MAP 0.530864 0.8
124 53H 0.530864 0.694118
125 DAL AMP 0.530864 0.808219
126 5CA 0.530864 0.73494
127 GEK 0.52439 0.805556
128 8QN 0.52439 0.808219
129 OOB 0.52439 0.808219
130 5SV 0.52439 0.75641
131 OAD 0.52381 0.821918
132 25L 0.523256 0.833333
133 PPS 0.518987 0.7375
134 DSZ 0.518072 0.714286
135 4AD 0.518072 0.8
136 NSS 0.518072 0.714286
137 0UM 0.518072 0.808219
138 A1R 0.518072 0.813333
139 AMO 0.518072 0.810811
140 PAJ 0.518072 0.792208
141 A A 0.517647 0.819444
142 6CR 0.515152 0.910448
143 RP1 0.514286 0.77027
144 SP1 0.514286 0.77027
145 2VA 0.513158 0.938462
146 62X 0.511905 0.74359
147 00A 0.511905 0.766234
148 NVA LMS 0.511905 0.678161
149 DLL 0.511905 0.808219
150 AHX 0.511905 0.802632
151 3OD 0.511628 0.821918
152 ME8 0.511628 0.728395
153 PTJ 0.511628 0.75641
154 7D3 0.506849 0.783784
155 V3L 0.506329 0.819444
156 K15 0.505882 0.763158
157 3UK 0.505882 0.797297
158 LEU LMS 0.505882 0.678161
159 A6D 0.505882 0.763158
160 GSU 0.5 0.694118
161 2BA 0.5 0.814286
162 KAA 0.5 0.689655
163 PR8 0.5 0.759494
164 AD3 0.5 1
165 P5A 0.5 0.681818
166 CMP 0.5 0.826087
167 NVA 2AD 0.5 0.867647
168 ATR 0.5 0.816901
169 5F1 0.5 0.80597
170 LAD 0.5 0.769231
171 WAQ 0.5 0.766234
172 ATP A A A 0.494382 0.830986
173 FYA 0.494253 0.808219
174 BIS 0.494253 0.789474
175 SXZ 0.494253 0.773333
176 NB8 0.494253 0.779221
177 TXA 0.494253 0.810811
178 JB6 0.494253 0.766234
179 1ZZ 0.494253 0.728395
180 SO8 0.493671 0.924242
181 VRT 0.493671 0.897059
182 IVH 0.493333 0.835616
183 KB1 0.488636 0.783784
184 MYR AMP 0.488636 0.728395
185 2A5 0.487179 0.797297
186 NOC 0.484375 0.903226
187 4UV 0.483516 0.776316
188 9SN 0.483146 0.75641
189 A2R 0.481928 0.833333
190 7D4 0.480519 0.783784
191 FA5 0.477778 0.786667
192 YAP 0.477778 0.776316
193 D3Y 0.47619 0.924242
194 AFH 0.473118 0.792208
195 AR6 AR6 0.473118 0.819444
196 YSA 0.472527 0.694118
197 XAH 0.472527 0.75
198 TYR AMP 0.472527 0.786667
199 TBN 0.46875 0.983607
200 3BH 0.46875 0.953125
201 AMP DBH 0.467391 0.821918
202 101 0.465753 0.780822
203 LAQ 0.463158 0.728395
204 TO1 0.462687 0.952381
205 7C5 0.462366 0.819444
206 G3A 0.462366 0.779221
207 UPA 0.459184 0.813333
208 LPA AMP 0.458333 0.728395
209 4UU 0.457447 0.776316
210 7MD 0.457447 0.772152
211 G5P 0.457447 0.779221
212 A A A 0.454545 0.808219
213 5ID 0.454545 0.923077
214 GTA 0.452632 0.75
215 TAD 0.452632 0.769231
216 4YB 0.452632 0.678161
217 KH3 0.452632 0.776316
218 3NZ 0.449438 0.884058
219 TYM 0.44898 0.786667
220 OMR 0.44898 0.740741
221 WSA 0.44898 0.702381
222 AHZ 0.447917 0.728395
223 ARG AMP 0.447917 0.740741
224 139 0.445545 0.782051
225 48N 0.443299 0.779221
226 YLP 0.443299 0.731707
227 ARJ 0.441176 0.857143
228 AFX 0.441176 0.768116
229 AV2 0.440476 0.77027
230 D5M 0.44 0.756757
231 DA 0.44 0.756757
232 5J9 0.43956 0.773333
233 TXD 0.438776 0.789474
234 NAX 0.438776 0.759494
235 6V0 0.438776 0.779221
236 UP5 0.438776 0.8
237 NXX 0.438776 0.810811
238 DND 0.438776 0.810811
239 NAI 0.438776 0.789474
240 4UW 0.438776 0.746835
241 PO4 PO4 A A A A PO4 0.438202 0.802817
242 NA7 0.438202 0.810811
243 MZR 0.4375 0.859375
244 V1N 0.43617 0.819444
245 HO4 0.434783 0.952381
246 649 0.434343 0.662921
247 AF3 ADP 3PG 0.434343 0.746835
248 TXE 0.434343 0.789474
249 ALF ADP 3PG 0.434343 0.746835
250 LA8 ALF 3PG 0.434343 0.746835
251 IMO 0.434211 0.777778
252 3AT 0.433735 0.819444
253 G A A A 0.432692 0.779221
254 YLB 0.43 0.731707
255 YLC 0.43 0.75
256 AP0 0.43 0.779221
257 7MC 0.43 0.753086
258 4TC 0.43 0.779221
259 SGV 0.428571 0.967742
260 BS5 0.427184 0.674157
261 A4P 0.425743 0.73494
262 IOT 0.421569 0.722892
263 DAT 0.419753 0.76
264 COD 0.419048 0.72619
265 YLA 0.417476 0.731707
266 ADJ 0.417476 0.740741
267 T5A 0.417476 0.731707
268 AS 0.415584 0.717949
269 J1D 0.415094 0.625
270 0XU 0.414634 0.823529
271 CNA 0.413462 0.810811
272 AYB 0.413462 0.722892
273 103 0.413333 0.716216
274 A U 0.411765 0.8
275 GMP 0.410959 0.882353
276 NAD IBO 0.409524 0.776316
277 GGZ 0.409091 0.7125
278 ITT 0.407407 0.791667
279 BTX 0.40566 0.710843
280 NAD 0.40566 0.808219
281 4TA 0.40566 0.719512
282 SFB 0.401961 0.709302
283 U A G G 0.401869 0.766234
284 BT5 0.401869 0.702381
285 DZD 0.401869 0.769231
286 DTP 0.4 0.76
Ligand no: 2; Ligand: GTP; Similar ligands found: 147
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 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Ligand no: 3; Ligand: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UCI; Ligand: GTP; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 4uci.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U1B PAX 0.01986 0.40591 2.41935
2 2PZE ATP 0.0187 0.40676 3.05677
3 2C80 GTX 0.02887 0.40124 3.31754
4 1J6X MET 0.01487 0.40841 5
5 1WLJ U5P 0.01539 0.40532 5.82011
6 4K7O EKZ 0.02608 0.40068 5.95238
Pocket No.: 2; Query (leader) PDB : 4UCI; Ligand: SAM; Similar sites found: 222
This union binding pocket(no: 2) in the query (biounit: 4uci.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N5D SAM 0.0002217 0.46219 0.884956
2 3L9W AMP 0.0001838 0.41143 1.21065
3 3L9W GSH 0.0007048 0.40088 1.21065
4 3GWZ SAH 0.0006253 0.4614 1.35501
5 3GXO SAH 0.0005371 0.45946 1.35501
6 3CH6 311 0.02773 0.41001 1.3986
7 3CH6 NAP 0.02773 0.41001 1.3986
8 4Y2H SAH 0.001262 0.45678 1.44578
9 4Y2H 49K 0.002466 0.44347 1.44578
10 2HQM FAD 0.01168 0.41529 1.44578
11 3DMH SAM 0.003449 0.40615 1.5748
12 3LL5 IP8 0.006311 0.43543 1.60643
13 2UYQ SAM 0.004165 0.44398 1.6129
14 3G2O SAM 0.0001 0.48175 1.67224
15 4AZT SAM 0.001796 0.42757 1.68675
16 4AZW SAM 0.002584 0.41707 1.68675
17 4YJI TYL 0.005566 0.4136 1.68675
18 5W3Y ACO 0.01868 0.41343 1.70455
19 4DMG SAM 0.00102 0.45655 1.78117
20 1I9G SAM 0.01331 0.44193 1.78571
21 3TLJ SAH 0.000008722 0.49399 1.87668
22 3M6W SAM 0.0005545 0.45883 1.92771
23 1N4W FAD 0.006668 0.4275 1.92771
24 4PNE SAH 0.0001277 0.45233 1.98676
25 5DX0 SFG 0.0005429 0.45526 2.00573
26 5DWQ SFG 0.0005611 0.45289 2.00573
27 5DX1 SFG 0.0002014 0.4316 2.00573
28 5DX8 SFG 0.0004348 0.43035 2.00573
29 5DXA SFG 0.0004323 0.43023 2.00573
30 4Q9N NAI 0.01085 0.40525 2.01342
31 5AHO TLA 0.01405 0.42106 2.08333
32 1WG8 SAM 0.0001683 0.4755 2.10526
33 2PZM UDP 0.002592 0.44653 2.12121
34 2PZM NAD 0.002592 0.44653 2.12121
35 5KVA SAM 0.00001307 0.51903 2.15827
36 4C4A SAH 0.002051 0.42132 2.16867
37 1M32 PLP 0.02226 0.4068 2.18579
38 5THQ NDP 0.01327 0.40013 2.20588
39 3T7S SAM 0.0001259 0.47743 2.23881
40 3DUW SAH 0.0002045 0.46367 2.24215
41 5HJM MTA 0.0004747 0.44821 2.27273
42 2P41 SAH 0.000001064 0.56695 2.29508
43 2PXX SAH 0.0003417 0.45424 2.32558
44 1N2X SAM 0.0003111 0.43591 2.32558
45 3ELW SAM 0.000001295 0.42569 2.33333
46 3ELW GP3 0.00000176 0.41755 2.33333
47 3C6K SPD 0.00057 0.46895 2.3622
48 3C6K MTA 0.00057 0.46895 2.3622
49 4GQB 0XU 0.02523 0.43228 2.40964
50 5FA5 MTA 0.006021 0.41205 2.40964
51 5MPT SAH 0.00001364 0.51912 2.41546
52 2VDV SAM 0.00003497 0.51922 2.43902
53 3C3Y SAH 0.000009878 0.51932 2.53165
54 3EVG SAH 0.000001116 0.56607 2.54545
55 1DQN IMU 0.0215 0.40142 2.6087
56 5CUQ NSC 0.00000111 0.58459 2.62172
57 2AWN ADP 0.02658 0.40234 2.62467
58 1YXM ADE 0.005986 0.42887 2.64026
59 4KRG SAH 0.0000107 0.52977 2.6506
60 3B9Q MLI 0.01602 0.41298 2.6506
61 5THZ SAH 0.000007751 0.53107 2.71605
62 5THY SAH 0.000005739 0.51955 2.71605
63 2YJP CYS 0.02292 0.40568 2.74914
64 4RDH AMP 0.008627 0.40498 2.77778
65 1ZGA SAH 0.01748 0.40044 2.80112
66 4MIG G3F 0.008628 0.42656 2.89157
67 3A4T SFG 0.0000184 0.48858 2.91971
68 1QZZ SAM 0.0009146 0.45377 2.94118
69 1XDS SAM 0.001288 0.44691 2.94118
70 2YX1 SFG 0.001386 0.40921 2.97619
71 1XCL SAH 0.000166 0.41066 2.97872
72 1JG3 ADN 0.005098 0.40798 2.97872
73 5TH5 MET 0.02549 0.40391 3.04183
74 5M58 SAH 0.0004554 0.44897 3.04348
75 2PZE ATP 0.02511 0.40506 3.05677
76 3O7W SAM 0.001244 0.44759 3.06122
77 2OG2 MLI 0.005601 0.4309 3.06407
78 5E72 SAM 0.0006583 0.4462 3.13253
79 2DPM SAM 0.0001997 0.45073 3.16901
80 3GCZ SAM 0.000000253 0.5939 3.19149
81 3VYW SAM 0.0001248 0.46572 3.24675
82 3EVF SAH 0.000002641 0.43699 3.2491
83 3EVF GTA 0.00000334 0.42076 3.2491
84 4IF4 BEF 0.007901 0.43106 3.36538
85 4N49 SAM 0.00000006393 0.59978 3.37349
86 1SQF SAM 0.000002282 0.55265 3.37349
87 2PWY SAH 0.002418 0.4534 3.37349
88 1U2Z SAH 0.001109 0.43834 3.37349
89 3VC1 SAH 0.001976 0.4066 3.37349
90 4TQG NDP 0.000983 0.44879 3.40557
91 1F3L SAH 0.0009065 0.42444 3.42679
92 1Q0S SAH 0.0001024 0.48485 3.4749
93 1P1C SAH 0.0002216 0.46842 3.51759
94 5ITV NAI 0.001685 0.44129 3.52941
95 1I1N SAH 0.0001468 0.42783 3.53982
96 3G89 SAM 0.0004594 0.46758 3.61446
97 5FA8 SAM 0.001182 0.41428 3.72671
98 2HNK SAH 0.00006637 0.4766 3.76569
99 3TKY SAH 0.0007358 0.44015 3.80435
100 3OU2 SAH 0.00006886 0.44822 3.85542
101 3GDN FAD 0.006923 0.42582 3.85542
102 3GDN HBX 0.00966 0.42582 3.85542
103 1GET NAP 0.03097 0.41113 3.85542
104 1GET FAD 0.02939 0.41113 3.85542
105 3H2B SAH 0.001036 0.43386 3.94089
106 3MQ2 SAH 0.0006294 0.45169 4.12844
107 3H4V DVP 0.02022 0.40421 4.16667
108 3H4V NAP 0.0111 0.40359 4.16667
109 3I53 SAH 0.002721 0.41801 4.21687
110 3BGD SAH 0.004151 0.40835 4.23077
111 5MGZ SAH 0.0006555 0.44228 4.23729
112 4OBW SAM 0.004081 0.41216 4.28016
113 1WY7 SAH 0.00002479 0.48463 4.34783
114 4ZA2 NAD 0.009134 0.40605 4.34783
115 1P77 ATR 0.01444 0.41454 4.41176
116 3P2E SAH 0.004745 0.40154 4.44444
117 1VL0 NAI 0.003745 0.41878 4.45205
118 5JE0 SAH 0.0002877 0.40009 4.45344
119 5JE0 AZ8 0.0002877 0.40009 4.45344
120 5F8F SFG 0.004875 0.4162 4.50928
121 5XVQ SAH 0.0003519 0.43474 4.57746
122 5XVK SAH 0.0005289 0.42864 4.57746
123 1UP7 NAD 0.002925 0.42345 4.57831
124 2ZWA SAH 0.002831 0.40037 4.57831
125 4FZV SAM 0.00004008 0.48521 4.60251
126 5X62 SAH 0.006278 0.40756 4.6798
127 1XTP SAI 0.001923 0.41803 4.72441
128 2PHU MAN MAN 0.01347 0.41646 4.7619
129 1GY8 NAD 0.001364 0.44537 4.78589
130 3PT9 SAH 0.00001421 0.51835 4.81928
131 3QOX SAH 0.00006219 0.49217 4.81928
132 4YNU FAD 0.00788 0.42503 4.81928
133 4YNU LGC 0.009301 0.42503 4.81928
134 5EB4 FAD 0.007554 0.42217 4.81928
135 5K6A NAP 0.01126 0.40331 4.86111
136 3JQ9 NAP 0.0124 0.40144 4.86111
137 2XYQ SAH 0.00001674 0.50389 4.91803
138 1IM8 SAI 0.001261 0.42444 4.91803
139 3VSE SAH 0.004776 0.42482 5.02513
140 5KOK SAH 0.0001387 0.4708 5.03778
141 3OID NDP 0.01036 0.40853 5.03876
142 1DL5 SAH 0.00001359 0.46582 5.04732
143 4KRI SAH 0.002877 0.40938 5.06024
144 1XSE NDP 0.01003 0.4165 5.08475
145 3LCC SAH 0.001815 0.41457 5.10638
146 2WSB NAD 0.005088 0.43007 5.11811
147 3GU3 SAH 0.0003415 0.48484 5.28169
148 4FC7 NAP 0.02162 0.40285 5.41516
149 4FC7 COA 0.02162 0.40285 5.41516
150 2WA2 SAM 0.00000009035 0.58689 5.43478
151 5E8J SAH 0.0001722 0.48726 5.44872
152 5E9W SAH 0.0002969 0.43046 5.44872
153 4XUC 43G 0.0005466 0.46719 5.50459
154 4XUC SAM 0.0005466 0.46719 5.50459
155 5ULP KB1 0.0000002423 0.54623 5.54217
156 5FTW SAH 0.003883 0.40417 5.85938
157 4QTU SAM 0.00004076 0.49329 5.92593
158 4AFK FLC 0.03327 0.41118 6.0241
159 2YY7 NAD 0.004153 0.42386 6.08974
160 1G60 SAM 0.001356 0.42892 6.15385
161 1R18 SAH 0.007216 0.42939 6.1674
162 4YMH SAH 0.00009974 0.46921 6.25
163 3FRH SAH 0.004269 0.41312 6.32411
164 4ONQ SFG 0.00009565 0.48259 6.44258
165 2JHP SAH 0.006718 0.40626 6.50602
166 1RJD SAM 0.003854 0.41157 6.58683
167 1EJ0 SAM 0.000000443 0.56888 6.66667
168 2EG5 SAH 0.0002013 0.48412 6.72043
169 4NEC SAH 0.0001326 0.48687 6.81818
170 1KYZ SAH 0.00044 0.45855 6.84932
171 3DXY SAM 0.01068 0.40823 6.88073
172 5MW4 5JU 0.00008686 0.40512 6.88623
173 4IWN GEK 0.001698 0.40852 6.9869
174 2WPF FAD 0.0142 0.43836 6.98795
175 2WPF WPF 0.01667 0.43613 6.98795
176 5E1M SAH 0.0002097 0.45556 7.05394
177 1LVG ADP 0.02599 0.40138 7.07071
178 2PT9 2MH 0.02026 0.4224 7.16511
179 2PT9 S4M 0.01925 0.41376 7.16511
180 1FP1 SAH 0.00525 0.42634 7.25806
181 3D3W NAP 0.002753 0.43438 7.37705
182 1PR9 NAP 0.00374 0.42841 7.37705
183 1X87 NAD 0.0008635 0.41889 7.46988
184 2FN8 RIP 0.02198 0.40781 7.59076
185 3GDH SAH 0.000004584 0.49798 7.88382
186 5GVR LMR 0.003322 0.45071 8.11966
187 1IY8 NAD 0.003182 0.42901 8.2397
188 4KIB SAH 0.000171 0.45558 8.40336
189 5IL1 SAM 0.007507 0.4007 8.49057
190 4JLS 3ZE 0.01608 0.41441 8.55263
191 2JJQ SAH 0.00008231 0.50206 8.6747
192 4LWP SAH 0.001741 0.42816 8.96739
193 2BZG SAH 0.003319 0.40802 9.15663
194 3EGI ADP 0.02158 0.40555 9.2233
195 1L3I SAH 0.00001677 0.47253 9.89583
196 2A14 SAH 0.001116 0.4364 10.2662
197 2BOS GLA GAL GLC NBU 0.00814 0.4351 10.2941
198 2BOS GLA GAL GLC 0.008258 0.43473 10.2941
199 2HMT NAI 0.0251 0.42945 10.4167
200 1QAN SAH 0.00006385 0.46894 10.6557
201 1NW5 SAM 0.002637 0.4167 10.6583
202 1GOJ ADP 0.02894 0.40117 10.7042
203 1VBO MAN 0.01658 0.41708 10.7383
204 1NFQ NAI 0.0068 0.41555 10.7692
205 5JGL SAM 0.0008704 0.42799 11.0727
206 5GM1 SAH 0.0009273 0.4175 11.1111
207 1ZN7 HSX 0.006229 0.42369 11.6667
208 1ZN7 ADE 0.006229 0.42369 11.6667
209 3BXO SAM 0.00008841 0.45347 11.7155
210 2PS1 ORO 0.005728 0.43013 12.3894
211 2O07 MTA 0.0007389 0.40139 13.012
212 3DGY 2GP 0.02731 0.40121 13.4021
213 1G55 SAH 0.0001199 0.47348 13.4111
214 3LKZ SFG 0.0000004904 0.57446 14.0187
215 1Z3C SA8 0.002412 0.43301 15.1007
216 2PX8 SAH 0.0000008591 0.55675 15.2416
217 2AOT SAH 0.007167 0.40862 15.411
218 1LSS NAD 0.0005292 0.43998 15.7143
219 5LOG SAH 0.0001616 0.46799 15.8798
220 1VE3 SAM 0.0002063 0.46817 16.7401
221 3JWH SAH 0.00003452 0.46165 20.2765
222 2XVM SAH 0.0002058 0.48368 25.1256
Pocket No.: 3; Query (leader) PDB : 4UCI; Ligand: ADN; Similar sites found: 30
This union binding pocket(no: 3) in the query (biounit: 4uci.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TIW FAD 0.03074 0.4072 1.44578
2 1TIW TFB 0.03074 0.4072 1.44578
3 1P9P SAH 0.008631 0.42485 1.91571
4 3EEB IHP 0.0397 0.40315 2.39234
5 4GLW NMN 0.005183 0.40536 2.62295
6 3BIY 01K 0.01827 0.40717 2.63158
7 4RDI ATP 0.02109 0.40508 2.77778
8 1NJF AGS 0.01355 0.41633 2.8
9 1NJF ADP 0.01536 0.40456 2.8
10 1USR SIA WIA 0.005385 0.41377 2.89157
11 1USR SIA 0.008017 0.40855 2.89157
12 4M0R 644 0.04288 0.42074 2.90237
13 4P25 FUC GAL NAG FUC 0.004648 0.44456 2.98013
14 1JXZ BCA 0.02647 0.4151 3.34572
15 5L2Z 70C 0.04035 0.40007 3.93701
16 3QXV MTX 0.02119 0.40878 3.96825
17 1R27 MGD 0.02523 0.41797 4.57831
18 4I54 1C1 0.03736 0.40316 4.81586
19 3R4S SIA 0.0055 0.41035 4.81928
20 5JBE MAL 0.0004692 0.4378 5.06024
21 4LXQ FON 0.02244 0.42098 5.10949
22 4LXQ TYD 0.02244 0.42098 5.10949
23 3MYZ TFX 0.000108 0.45143 6
24 1ATL 0QI 0.01505 0.42461 6.43564
25 4L2I FAD 0.03415 0.40629 6.84411
26 4L2I NAD 0.04586 0.40629 6.84411
27 2OGA PGU 0.01019 0.43297 7.5188
28 4OGN 2U5 0.01986 0.41405 7.61905
29 3HGM ATP 0.009718 0.43459 8.84354
30 2E5V FAD 0.04946 0.41589 10.1205
Pocket No.: 4; Query (leader) PDB : 4UCI; Ligand: GTP; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 4uci.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G6M CFF 0.01464 0.41003 3.37349
2 2BOS GLA GAL GLC NBU 0.02818 0.40379 10.2941
3 2BOS GLA GAL GLC 0.03132 0.40059 10.2941
Pocket No.: 5; Query (leader) PDB : 4UCI; Ligand: SAM; Similar sites found: 10
This union binding pocket(no: 5) in the query (biounit: 4uci.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J5B TYE 0.02174 0.40806 2.01149
2 4X1Z FUC GAL NDG 0.01402 0.42213 2.40964
3 1XTT U5P 0.009192 0.40373 3.7037
4 3LGS ADE 0.02914 0.40014 4.11985
5 1AE1 NAP 0.01478 0.40157 5.12821
6 4J56 FAD 0.01739 0.40898 6.14035
7 4O1M NAD 0.01331 0.40008 6.98413
8 1JNR FAD 0.04917 0.40374 7.95181
9 2F5Z FAD 0.01196 0.41571 13.494
10 1GXS BEZ 0.02692 0.40206 13.9759
Pocket No.: 6; Query (leader) PDB : 4UCI; Ligand: ADN; Similar sites found: 4
This union binding pocket(no: 6) in the query (biounit: 4uci.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NZY BCA 0.02698 0.41494 2.23048
2 5A3T MMK 0.007032 0.4581 7.95181
3 1MJH ATP 0.01159 0.43202 14.1975
4 3KEE 30B 0.01962 0.40783 30.4348
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