Receptor
PDB id Resolution Class Description Source Keywords
2J4J 2.1 Å EC: 2.7.4.22 CRYSTAL STRUCTURE OF URIDYLATE KINASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH UMP AND AMPPCP TO 2.1 A NGSTROM RESOLUTION SULFOLOBUS SOLFATARICUS TRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE KINASE UMP KINASE ASPARTOKINASE FOLD PYRIMIDINE NUCLEOTIDE SYNTHESIS PYRIMIDINE BIOSYNTHESIS
Ref.: STRUCTURAL AND ENZYMATIC INVESTIGATION OF THE SULFOLOBUS SOLFATARICUS URIDYLATE KINASE SHOWS COMPETITIVE UTP INHIBITION AND THE LACK OF GTP STIMULATION BIOCHEMISTRY V. 46 2745 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4TC F:227;
Valid;
none;
submit data
811.374 C20 H29 N7 O20 P4 c1nc(...
ACP A:228;
B:228;
C:228;
D:228;
E:228;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
CO A:229;
A:230;
B:229;
B:230;
C:229;
E:229;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
MG D:229;
F:229;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
U5P A:227;
B:227;
C:227;
D:227;
E:227;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J4K 2.2 Å EC: 2.7.4.22 CRYSTAL STRUCTURE OF URIDYLATE KINASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH UMP TO 2.2 ANGSTROM R ESOLUTION SULFOLOBUS SOLFATARICUS ASPARTOKINASE FAMILY PYRIMIDINE BIOSYNTHESIS KINASE UMP KINASE TRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE PYRIMIDINE NUCLEOTIDE SYNTHESIS
Ref.: STRUCTURAL AND ENZYMATIC INVESTIGATION OF THE SULFOLOBUS SOLFATARICUS URIDYLATE KINASE SHOWS COMPETITIVE UTP INHIBITION AND THE LACK OF GTP STIMULATION BIOCHEMISTRY V. 46 2745 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2J4J - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2J4K Kd = 14 uM U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% 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 2J4J - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2J4K Kd = 14 uM U5P C9 H13 N2 O9 P C1=CN(C(=O....
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 2J4J - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2J4K Kd = 14 uM U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4TC; Similar ligands found: 273
No: Ligand ECFP6 Tc MDL keys Tc
1 4TC 1 1
2 UP5 0.881188 0.973684
3 UPA 0.699115 0.961039
4 ACQ 0.68 0.922078
5 A U 0.678261 0.923077
6 ACP 0.673469 0.922078
7 139 0.652542 0.925
8 A2D 0.612245 0.921053
9 U A A U 0.6 0.935897
10 BA3 0.6 0.921053
11 APU 0.595041 0.923077
12 B4P 0.594059 0.921053
13 AP5 0.594059 0.921053
14 ADP 0.594059 0.896104
15 AN2 0.588235 0.884615
16 M33 0.582524 0.884615
17 ATP 0.576923 0.896104
18 ATF 0.574074 0.8625
19 A G U 0.572464 0.86747
20 AR6 0.571429 0.896104
21 PRX 0.571429 0.82716
22 APC 0.571429 0.910256
23 APR 0.571429 0.896104
24 5FA 0.571429 0.896104
25 AQP 0.571429 0.896104
26 ANP 0.570093 0.873418
27 AP2 0.568627 0.910256
28 A12 0.568627 0.910256
29 A U C C 0.566176 0.9
30 AD9 0.566038 0.873418
31 AGS 0.566038 0.851852
32 SAP 0.566038 0.851852
33 TXD 0.557377 0.911392
34 U G A 0.557143 0.86747
35 G3A 0.554622 0.876543
36 TXE 0.552846 0.935897
37 ADX 0.552381 0.811765
38 CA0 0.552381 0.897436
39 A 0.55 0.87013
40 AMP 0.55 0.87013
41 G5P 0.55 0.876543
42 ADQ 0.548673 0.897436
43 50T 0.54717 0.860759
44 6V0 0.544715 0.924051
45 NAI 0.544715 0.935897
46 NAX 0.544715 0.925
47 A22 0.544643 0.909091
48 UDP 0.544554 0.831169
49 RBY 0.537037 0.910256
50 ADV 0.537037 0.910256
51 AP0 0.536 0.9
52 T5A 0.535433 0.914634
53 A1R 0.535088 0.864198
54 ABM 0.533981 0.848101
55 GTA 0.532787 0.845238
56 A4P 0.531746 0.848837
57 URM 0.531532 0.846154
58 660 0.531532 0.846154
59 BIS 0.529915 0.841463
60 UTP 0.528846 0.831169
61 TAT 0.527273 0.8625
62 5SV 0.526316 0.788235
63 PUA 0.526316 0.9125
64 AMP MG 0.524272 0.825
65 ADP MG 0.523364 0.8375
66 5AL 0.522523 0.884615
67 4AD 0.521739 0.898734
68 ADP BEF 0.518519 0.817073
69 BEF ADP 0.518519 0.817073
70 SRA 0.514563 0.82716
71 UNP 0.514019 0.810127
72 SRP 0.513274 0.886076
73 25A 0.513043 0.896104
74 OAD 0.512821 0.897436
75 25L 0.512605 0.909091
76 ADJ 0.511628 0.835294
77 AU1 0.509259 0.873418
78 ADP PO3 0.509091 0.87013
79 PR8 0.508475 0.833333
80 4UV 0.508197 0.898734
81 ATP MG 0.504505 0.8375
82 UPG 0.504425 0.833333
83 GDU 0.504425 0.833333
84 GUD 0.504425 0.833333
85 UFM 0.504425 0.833333
86 00A 0.504274 0.864198
87 AHX 0.504274 0.876543
88 3OD 0.504202 0.897436
89 1ZZ 0.504202 0.802326
90 UDM 0.5 0.835443
91 44P 0.5 0.846154
92 SFB 0.5 0.8
93 4UU 0.5 0.898734
94 U5P 0.5 0.818182
95 OOB 0.5 0.909091
96 8QN 0.5 0.884615
97 WAQ 0.495798 0.864198
98 LAD 0.495798 0.843373
99 AMO 0.495726 0.910256
100 PAJ 0.495726 0.843373
101 UPP 0.495575 0.857143
102 UDH 0.495575 0.795181
103 DLL 0.491525 0.909091
104 UPF 0.491379 0.792683
105 UFG 0.491379 0.792683
106 MAP 0.491379 0.851852
107 U2F 0.491379 0.792683
108 UPU 0.490909 0.831169
109 5AS 0.490741 0.728261
110 AFH 0.488 0.865854
111 XAH 0.487805 0.823529
112 3UK 0.487395 0.897436
113 3UC 0.487395 0.792683
114 ANP MG 0.486957 0.829268
115 SON 0.486239 0.886076
116 EAD 0.485714 0.901235
117 4UW 0.484375 0.865854
118 9SN 0.483607 0.853659
119 U2G 0.480916 0.890244
120 OMR 0.48062 0.813953
121 NB8 0.479339 0.876543
122 FYA 0.479339 0.884615
123 TXA 0.479339 0.886076
124 ME8 0.479339 0.823529
125 PTJ 0.479339 0.831325
126 G3N 0.478992 0.858974
127 ADP ALF 0.478261 0.807229
128 ALF ADP 0.478261 0.807229
129 48N 0.476562 0.876543
130 ADP VO4 0.474138 0.860759
131 VO4 ADP 0.474138 0.860759
132 GAP 0.473684 0.85
133 CNA 0.473684 0.910256
134 DND 0.472868 0.910256
135 NXX 0.472868 0.910256
136 P1H 0.472222 0.879518
137 UDP UDP 0.471698 0.805195
138 USQ 0.470588 0.758621
139 GCP 0.470085 0.876543
140 YAP 0.467742 0.898734
141 FA5 0.467742 0.910256
142 NAJ PZO 0.467153 0.876543
143 4TA 0.466667 0.879518
144 UAD 0.466102 0.857143
145 UDX 0.466102 0.857143
146 DZD 0.463235 0.9125
147 ADP BMA 0.46281 0.873418
148 UGB 0.458333 0.844156
149 UGA 0.458333 0.844156
150 LAQ 0.457364 0.802326
151 U A C C 0.456522 0.911392
152 ATR 0.45614 0.87013
153 PAP 0.45614 0.883117
154 UD2 0.456 0.822785
155 UD1 0.456 0.822785
156 0WD 0.455882 0.924051
157 2KH 0.454545 0.810127
158 YLP 0.453846 0.804598
159 DAL AMP 0.453782 0.860759
160 12V 0.453125 0.802469
161 HWU 0.453125 0.802469
162 MYR AMP 0.451613 0.781609
163 TAD 0.449612 0.888889
164 A3D 0.449275 0.897436
165 Y6W 0.449153 0.814815
166 IOT 0.447761 0.795455
167 Z5A 0.447552 0.827586
168 2A5 0.447368 0.85
169 A A 0.447154 0.871795
170 TYM 0.44697 0.910256
171 7D3 0.445455 0.814815
172 A2R 0.445378 0.884615
173 NAD 0.445255 0.909091
174 ATP A A A 0.444444 0.883117
175 YLB 0.443609 0.804598
176 JB6 0.443548 0.864198
177 7D4 0.442478 0.814815
178 7MD 0.44186 0.845238
179 AYB 0.441176 0.795455
180 TXP 0.441176 0.9
181 AV2 0.440678 0.825
182 AOC 0.440367 0.782051
183 HP7 0.4375 0.833333
184 G A A A 0.434783 0.831325
185 COD 0.434783 0.797753
186 BTX 0.434783 0.825581
187 MJZ 0.434109 0.858974
188 NPW 0.433824 0.91358
189 NDP 0.433824 0.924051
190 NAQ 0.433566 0.853659
191 YLC 0.432836 0.845238
192 BT5 0.431655 0.816092
193 AR6 AR6 0.430769 0.871795
194 UD4 0.430769 0.835443
195 NZQ 0.430657 0.936709
196 RAB 0.43 0.779221
197 ADN 0.43 0.779221
198 XYA 0.43 0.779221
199 ITT 0.429825 0.846154
200 UDP GAL 0.429752 0.810127
201 EPU 0.42963 0.802469
202 EEB 0.42963 0.802469
203 A3P 0.428571 0.87013
204 CSQ 0.428571 0.804878
205 CSV 0.428571 0.804878
206 NA7 0.427419 0.886076
207 G5A 0.42735 0.766667
208 NAE 0.426573 0.875
209 AMP DBH 0.426357 0.85
210 UD7 0.426357 0.822785
211 AF3 ADP 3PG 0.425373 0.821429
212 AHZ 0.424242 0.781609
213 P5A 0.424 0.734043
214 YLA 0.423358 0.825581
215 7XL 0.422414 0.8375
216 EPZ 0.422222 0.8125
217 5N5 0.421569 0.75641
218 U A G G 0.421429 0.841463
219 FDA 0.421053 0.882353
220 ZID 0.42069 0.897436
221 7D5 0.420561 0.790123
222 PPS 0.420168 0.790698
223 YLY 0.41958 0.795455
224 ARU 0.419355 0.77907
225 TYR AMP 0.418605 0.8625
226 6FA 0.418301 0.869048
227 TSB 0.418033 0.784091
228 UDZ 0.41791 0.764706
229 A4D 0.417476 0.75641
230 5CD 0.417476 0.74359
231 3DH 0.416667 0.716049
232 A5A 0.416667 0.772727
233 A2P 0.415929 0.857143
234 MAO 0.415929 0.727273
235 M2T 0.415094 0.682353
236 ALF ADP 3PG 0.414815 0.821429
237 LA8 ALF 3PG 0.414815 0.821429
238 AVV 0.414634 0.853659
239 IUG 0.413534 0.770115
240 ARG AMP 0.413534 0.793103
241 SSA 0.413223 0.786517
242 FAS 0.412903 0.879518
243 SFD 0.412903 0.760417
244 FAD 0.412903 0.879518
245 3AM 0.412844 0.833333
246 7C5 0.412214 0.780488
247 7MC 0.411765 0.825581
248 NSS 0.41129 0.786517
249 LPA AMP 0.410448 0.781609
250 52H 0.409836 0.747253
251 54H 0.409836 0.755556
252 VMS 0.409836 0.755556
253 M24 0.409722 0.833333
254 FAY 0.408805 0.890244
255 6AD 0.408333 0.821429
256 NVA LMS 0.408 0.731183
257 NDC 0.407895 0.853659
258 ODP 0.407143 0.9125
259 S4M 0.40708 0.641304
260 5CA 0.406504 0.786517
261 53H 0.406504 0.747253
262 EP4 0.40566 0.698795
263 NDE 0.403974 0.886076
264 GP3 0.403361 0.876543
265 FNK 0.402516 0.852273
266 62F 0.402516 0.86747
267 DTA 0.401869 0.75
268 KAA 0.401575 0.741935
269 U 0.4 0.74026
270 DSZ 0.4 0.786517
271 GDP 0.4 0.851852
272 LSS 0.4 0.75
273 URI 0.4 0.74026
Ligand no: 2; Ligand: ACP; Similar ligands found: 351
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 BA3 0.833333 0.945205
5 AP5 0.821918 0.945205
6 ADP 0.821918 0.972222
7 B4P 0.821918 0.945205
8 AN2 0.810811 0.958904
9 AP2 0.808219 0.986301
10 A12 0.808219 0.986301
11 M33 0.8 0.932432
12 ATP 0.789474 0.972222
13 5FA 0.779221 0.972222
14 AQP 0.779221 0.972222
15 AR6 0.779221 0.945205
16 APR 0.779221 0.945205
17 AGS 0.769231 0.921053
18 SAP 0.769231 0.921053
19 AD9 0.769231 0.945946
20 A 0.763889 0.944444
21 AMP 0.763889 0.944444
22 APC 0.75641 0.986301
23 CA0 0.753247 0.92
24 ADX 0.753247 0.851852
25 ANP 0.75 0.945946
26 50T 0.74359 0.932432
27 PRX 0.734177 0.87013
28 ABM 0.733333 0.893333
29 ATF 0.731707 0.933333
30 AMP MG 0.72 0.868421
31 SRA 0.706667 0.894737
32 A22 0.705882 0.958904
33 RBY 0.703704 0.959459
34 ADV 0.703704 0.959459
35 5AL 0.698795 0.906667
36 ADQ 0.689655 0.92
37 A1R 0.689655 0.909091
38 AU1 0.6875 0.945946
39 ADP MG 0.6875 0.881579
40 TAT 0.686747 0.933333
41 SRP 0.682353 0.907895
42 BEF ADP 0.679012 0.858974
43 ADP BEF 0.679012 0.858974
44 OAD 0.674157 0.92
45 4TC 0.673469 0.922078
46 4AD 0.670455 0.921053
47 AMO 0.670455 0.933333
48 00A 0.662921 0.860759
49 ADP PO3 0.662651 0.917808
50 3OD 0.659341 0.92
51 BIS 0.659341 0.909091
52 25A 0.659091 0.945205
53 8QN 0.659091 0.906667
54 5SV 0.659091 0.82716
55 OOB 0.659091 0.906667
56 ATP MG 0.654762 0.881579
57 SON 0.654321 0.933333
58 25L 0.652174 0.958904
59 PAJ 0.651685 0.8625
60 DLL 0.644444 0.906667
61 AHX 0.644444 0.897436
62 TXA 0.641304 0.907895
63 3UK 0.637363 0.894737
64 ADP ALF 0.632184 0.848101
65 ALF ADP 0.632184 0.848101
66 WAQ 0.630435 0.884615
67 LAD 0.630435 0.8625
68 PR8 0.630435 0.851852
69 MAP 0.629214 0.921053
70 GAP 0.627907 0.87013
71 ANP MG 0.625 0.871795
72 ADP VO4 0.625 0.906667
73 VO4 ADP 0.625 0.906667
74 ME8 0.623656 0.841463
75 PTJ 0.623656 0.873418
76 NB8 0.623656 0.897436
77 1ZZ 0.623656 0.819277
78 FYA 0.623656 0.906667
79 UP5 0.62 0.896104
80 G3A 0.618557 0.897436
81 AFH 0.612245 0.886076
82 G5P 0.612245 0.897436
83 9SN 0.610526 0.85
84 GTA 0.606061 0.864198
85 YAP 0.604167 0.896104
86 FA5 0.604167 0.907895
87 TXD 0.60396 0.884615
88 XAH 0.597938 0.841463
89 XYA 0.597222 0.821918
90 ADN 0.597222 0.821918
91 RAB 0.597222 0.821918
92 48N 0.594059 0.897436
93 DAL AMP 0.593407 0.881579
94 2A5 0.593023 0.92
95 AOC 0.592593 0.8
96 4UV 0.591837 0.871795
97 NAI 0.588235 0.884615
98 NXX 0.588235 0.907895
99 NAX 0.588235 0.875
100 DND 0.588235 0.907895
101 6V0 0.588235 0.873418
102 ATR 0.586207 0.944444
103 PAP 0.586207 0.958333
104 ADP BMA 0.585106 0.894737
105 LAQ 0.584158 0.819277
106 5AS 0.583333 0.761364
107 TXE 0.582524 0.884615
108 OMR 0.582524 0.831325
109 5N5 0.581081 0.797297
110 4UU 0.58 0.871795
111 A A 0.578947 0.918919
112 7D3 0.578313 0.881579
113 AP0 0.576923 0.873418
114 A4D 0.573333 0.797297
115 5CD 0.573333 0.783784
116 JB6 0.572917 0.884615
117 4UW 0.572816 0.839506
118 A4P 0.571429 0.823529
119 CNA 0.570093 0.907895
120 7D4 0.569767 0.881579
121 ITT 0.569767 0.917808
122 A2R 0.565217 0.958904
123 M2T 0.564103 0.716049
124 YLP 0.563107 0.821429
125 139 0.560748 0.851852
126 ADJ 0.560748 0.831325
127 T5A 0.560748 0.843373
128 TAD 0.558824 0.910256
129 ATP A A A 0.555556 0.905405
130 A3P 0.552941 0.944444
131 TYM 0.552381 0.907895
132 IOT 0.551402 0.833333
133 EP4 0.551282 0.734177
134 MYR AMP 0.55102 0.797619
135 7D5 0.55 0.855263
136 A3D 0.54955 0.894737
137 GCP 0.548387 0.922078
138 YLC 0.54717 0.841463
139 YLB 0.54717 0.821429
140 UPA 0.54717 0.884615
141 NAD 0.545455 0.906667
142 COD 0.545455 0.813953
143 G5A 0.544444 0.781609
144 DTA 0.544304 0.766234
145 3DH 0.54321 0.753247
146 DZD 0.540541 0.910256
147 AHZ 0.538462 0.797619
148 MTA 0.5375 0.753247
149 3AM 0.536585 0.90411
150 A2P 0.534884 0.930556
151 TYR AMP 0.534653 0.858974
152 AR6 AR6 0.533981 0.893333
153 6AD 0.532609 0.886076
154 PPS 0.532609 0.851852
155 YLA 0.53211 0.821429
156 AMP DBH 0.529412 0.87013
157 AYB 0.527273 0.811765
158 A5A 0.526882 0.788235
159 TSB 0.526316 0.8
160 6RE 0.52381 0.7625
161 S4M 0.523256 0.670455
162 SSA 0.521277 0.802326
163 NA7 0.520408 0.959459
164 7MD 0.519231 0.864198
165 LPA AMP 0.518868 0.797619
166 BTX 0.517857 0.843373
167 NAE 0.517241 0.871795
168 52H 0.515789 0.761364
169 54H 0.515789 0.770115
170 VMS 0.515789 0.770115
171 BT5 0.513274 0.833333
172 NAQ 0.512821 0.85
173 ZAS 0.511905 0.746835
174 J7C 0.511628 0.772152
175 A3N 0.511628 0.766234
176 IMO 0.511628 0.90411
177 AV2 0.510638 0.893333
178 53H 0.510417 0.761364
179 5CA 0.510417 0.802326
180 ARU 0.510204 0.839506
181 ARG AMP 0.509434 0.831325
182 ALF ADP 3PG 0.509259 0.839506
183 AF3 ADP 3PG 0.509259 0.839506
184 LA8 ALF 3PG 0.509259 0.839506
185 M24 0.508621 0.829268
186 ZID 0.508475 0.894737
187 2AM 0.506024 0.917808
188 V3L 0.505376 0.945205
189 3AT 0.505376 0.972222
190 AVV 0.505155 0.897436
191 MAO 0.5 0.761905
192 LSS 0.5 0.764045
193 NSS 0.5 0.802326
194 DSZ 0.5 0.802326
195 EAD 0.5 0.851852
196 DSH 0.5 0.728395
197 P5A 0.5 0.747253
198 YLY 0.495726 0.811765
199 NVA LMS 0.494949 0.744444
200 5X8 0.494505 0.766234
201 DAT 0.494505 0.906667
202 7MC 0.490909 0.843373
203 LEU LMS 0.49 0.744444
204 SMM 0.489583 0.689655
205 SAM 0.489362 0.694118
206 DTP 0.489362 0.906667
207 7DD 0.488889 0.958333
208 GJV 0.488636 0.753086
209 OVE 0.488372 0.881579
210 5AD 0.486842 0.726027
211 KAA 0.485149 0.755556
212 GSU 0.485149 0.781609
213 P1H 0.483871 0.831325
214 NDE 0.483871 0.907895
215 N0B 0.483333 0.821429
216 A3G 0.482759 0.802632
217 NAD IBO 0.482456 0.848101
218 NAJ PZO 0.478632 0.82716
219 4TA 0.478261 0.809524
220 SFG 0.478261 0.753247
221 YSA 0.47619 0.781609
222 FB0 0.47619 0.827586
223 NDC 0.47619 0.85
224 7DT 0.473118 0.958333
225 A7D 0.472527 0.779221
226 NJP 0.469565 0.921053
227 FDA 0.46875 0.835294
228 A5D 0.468085 0.766234
229 SA8 0.468085 0.710843
230 MHZ 0.467391 0.701149
231 71V 0.466667 0.884615
232 0WD 0.465517 0.897436
233 G A A A 0.465517 0.85
234 6FA 0.465116 0.843373
235 GGZ 0.464646 0.804878
236 SAH 0.463158 0.746835
237 6C6 0.463158 0.883117
238 SAI 0.463158 0.7375
239 NAJ PYZ 0.46281 0.829268
240 Y3J 0.4625 0.706667
241 7D7 0.461538 0.723684
242 TXP 0.46087 0.897436
243 PO4 PO4 A A A A PO4 0.460784 0.878378
244 S7M 0.459184 0.694118
245 AMP NAD 0.459016 0.858974
246 6IA 0.458333 0.839506
247 DDS 0.458333 0.855263
248 FAD 0.458015 0.853659
249 SFD 0.458015 0.736842
250 FAS 0.458015 0.853659
251 ODP 0.456897 0.886076
252 A3S 0.456522 0.813333
253 7C5 0.453704 0.797468
254 AAT 0.453608 0.710843
255 EEM 0.453608 0.694118
256 RGT 0.45283 0.933333
257 NPW 0.452174 0.8875
258 NDP 0.452174 0.897436
259 FAY 0.451852 0.864198
260 PGS 0.451613 0.860759
261 D5M 0.449438 0.88
262 DA 0.449438 0.88
263 NEC 0.449438 0.727273
264 U A G G 0.449153 0.860759
265 2SA 0.44898 0.933333
266 NIA 0.448276 0.802469
267 NZQ 0.448276 0.910256
268 A U 0.447368 0.848101
269 A3T 0.446809 0.8
270 A A A 0.446602 0.906667
271 128 0.446429 0.758621
272 6K6 0.445545 0.905405
273 GEK 0.445545 0.740741
274 4YB 0.445455 0.764045
275 AAM 0.444444 0.944444
276 FNK 0.444444 0.806818
277 62F 0.444444 0.864198
278 Z5A 0.443548 0.761364
279 WSA 0.442478 0.790698
280 AMZ 0.44186 0.891892
281 C2R 0.44186 0.88
282 12D 0.441441 0.767442
283 XNP 0.440678 0.851852
284 RFL 0.437956 0.823529
285 N6P 0.436893 0.890411
286 62X 0.436893 0.670455
287 AIR 0.433735 0.876712
288 PLP AAD 0.433333 0.725275
289 GP3 0.43299 0.897436
290 A6D 0.432692 0.705882
291 V1N 0.431193 0.893333
292 649 0.429825 0.747253
293 GP2 0.428571 0.910256
294 NA0 0.428571 0.907895
295 GDP 0.428571 0.896104
296 0UM 0.427184 0.702381
297 DCA 0.42623 0.825581
298 ETB 0.42623 0.835294
299 GNH 0.424242 0.884615
300 NAP 0.424 0.92
301 PUA 0.422764 0.8625
302 APU 0.422414 0.871795
303 101 0.422222 0.855263
304 3AD 0.421687 0.808219
305 FA9 0.42069 0.865854
306 TAP 0.420635 0.884615
307 TM1 0.420561 0.755814
308 P5F 0.41958 0.825581
309 0T1 0.419355 0.825581
310 COA 0.419355 0.825581
311 K15 0.419048 0.686047
312 7RP 0.417582 0.902778
313 S8M 0.417476 0.7625
314 NHD 0.416667 0.881579
315 GTP 0.415842 0.896104
316 FCX 0.414062 0.797753
317 F2N 0.413793 0.816092
318 AS 0.413043 0.835443
319 7RA 0.413043 0.931507
320 G1R 0.411765 0.884615
321 SXZ 0.411215 0.714286
322 QQY 0.411111 0.794872
323 ACK 0.411111 0.837838
324 AMX 0.409449 0.835294
325 30N 0.409449 0.755319
326 CAO 0.409449 0.797753
327 J7V 0.409449 0.813953
328 COS 0.409449 0.806818
329 1DG 0.409449 0.897436
330 DG1 0.409449 0.897436
331 NAD BBN 0.408759 0.821429
332 8BR 0.408602 0.883117
333 GNP 0.407767 0.873418
334 GSP 0.407767 0.851852
335 D3Y 0.407767 0.792208
336 G2P 0.407767 0.910256
337 CC5 0.407407 0.819444
338 KB1 0.407407 0.702381
339 N01 0.406504 0.881579
340 CMX 0.40625 0.825581
341 SCO 0.40625 0.825581
342 CMP 0.404255 0.876712
343 2BA 0.404255 0.890411
344 ACO 0.403101 0.797753
345 FAM 0.403101 0.806818
346 NAD CJ3 0.402878 0.793103
347 2VA 0.402062 0.779221
348 3NZ 0.401869 0.78481
349 26A 0.4 0.74359
350 HAX 0.4 0.806818
351 QQX 0.4 0.78481
Ligand no: 3; Ligand: U5P; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 44P 0.790323 0.941176
3 UDP 0.78125 0.984615
4 UTP 0.746269 0.984615
5 2KH 0.735294 0.955224
6 UDP UDP 0.727273 0.953846
7 UPU 0.694444 0.954545
8 UNP 0.690141 0.955224
9 URM 0.662338 0.913043
10 660 0.662338 0.913043
11 URI 0.661017 0.848485
12 U 0.661017 0.848485
13 UFM 0.641026 0.926471
14 GDU 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GUD 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 CJB 0.603175 0.80597
24 UDX 0.597561 0.926471
25 UAD 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGB 0.583333 0.940298
30 USQ 0.583333 0.807692
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 U3P 0.573529 0.953846
35 UA3 0.573529 0.953846
36 C 0.571429 0.941176
37 CH 0.571429 0.926471
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD1 0.555556 0.913043
44 UD2 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U3S 0.541667 0.763889
48 U2S 0.541667 0.777778
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 U2P 0.528571 0.939394
53 DU 0.527778 0.911765
54 UMP 0.527778 0.911765
55 HP7 0.526882 0.926471
56 UD7 0.526882 0.913043
57 MJZ 0.521277 0.9
58 UP6 0.521127 0.884058
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 12V 0.515789 0.887324
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 U6M 0.506849 0.969697
66 NUP 0.506849 0.927536
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 JW5 0.5 0.955224
71 4TC 0.5 0.818182
72 EPU 0.49505 0.887324
73 A U 0.49505 0.815789
74 EEB 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 6AU 0.480519 0.969697
78 OMP 0.480519 0.969697
79 6CN 0.480519 0.941176
80 TKW 0.48 0.927536
81 UMF 0.479452 0.869565
82 UUA 0.477612 0.757576
83 U U U U 0.476744 0.954545
84 BMQ 0.472222 0.939394
85 PUP 0.47191 0.926471
86 5HM 0.467532 0.888889
87 O7E 0.463415 0.941176
88 ICR 0.460526 0.830986
89 UMA 0.458716 0.9
90 O7M 0.45679 0.941176
91 UC5 0.455696 0.885714
92 UTP U U U 0.454545 0.909091
93 CDP 0.45 0.927536
94 2TU 0.449275 0.760563
95 FNU 0.441558 0.876712
96 2QR 0.439655 0.810127
97 N3E 0.4375 0.743243
98 DUD 0.4375 0.898551
99 2OM 0.435897 0.925373
100 U22 0.434783 0.777778
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 DUT 0.433735 0.898551
104 CTP 0.433735 0.927536
105 8OP 0.428571 0.849315
106 8GM 0.421687 0.853333
107 5GW 0.420455 0.927536
108 U A A U 0.418803 0.853333
109 4RA 0.414634 0.842105
110 DUP 0.411765 0.873239
111 DUN 0.409639 0.873239
112 CDP MG 0.409639 0.861111
113 UD0 0.408 0.831169
114 UVC 0.407895 0.842857
115 UM3 0.407895 0.897059
116 C5G 0.404255 0.875
117 UPA 0.401869 0.828947
118 A U C C 0.401639 0.794872
119 A G U 0.4 0.7875
120 UAG 0.4 0.851351
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 2j4k.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RC8 DSN 0.02521 0.42389 2.21239
2 2DTJ THR 0.02921 0.40991 2.80899
3 2EUG URA 0.004459 0.47027 3.09735
4 3B9Q MLI 0.03148 0.43751 3.53982
5 1GS5 NLG 0.0001189 0.4366 3.53982
6 2QHV OC9 0.04042 0.40613 5.75221
7 1E19 ADP 0.002481 0.44758 7.07965
8 3RV5 DXC 0.04843 0.41259 7.86517
9 5H9I XAN 0.01335 0.43961 7.9646
10 3LL5 ADP 0.000000298 0.52872 9.29204
11 3LL5 IPE 0.000000174 0.52817 9.29204
12 3LL5 ATP 0.000002756 0.43494 9.29204
13 2IU8 PLM 0.006045 0.41927 11.0619
14 4F4S EFO 0.01846 0.42863 13.1579
15 3QUR FM4 0.000001513 0.49257 25.2212
16 2BNF UTP 0.0000001733 0.48891 43.8053
17 2BNE U5P 0.00000111 0.44416 46.4602
Pocket No.: 3; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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