Receptor
PDB id Resolution Class Description Source Keywords
2J4J 2.1 Å EC: 2.7.4.22 CRYSTAL STRUCTURE OF URIDYLATE KINASE FROM SULFOLOBUS SOLFAT COMPLEX WITH UMP AND AMPPCP TO 2.1 ANGSTROM RESOLUTION SULFOLOBUS SOLFATARICUS TRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE KINASE UMP KIASPARTOKINASE FOLD PYRIMIDINE NUCLEOTIDE SYNTHESIS PYRIMIBIOSYNTHESIS
Ref.: STRUCTURAL AND ENZYMATIC INVESTIGATION OF THE SULFO 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 SOLFAT COMPLEX WITH UMP TO 2.2 ANGSTROM RESOLUTION SULFOLOBUS SOLFATARICUS ASPARTOKINASE FAMILY PYRIMIDINE BIOSYNTHESIS KINASE UMP KTRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE PYRIMIDINE NUSYNTHESIS
Ref.: STRUCTURAL AND ENZYMATIC INVESTIGATION OF THE SULFO 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 1 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: 306
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 6YZ 0.660194 0.922078
8 139 0.652542 0.925
9 U A 0.634146 0.935897
10 A2D 0.612245 0.921053
11 BA3 0.6 0.921053
12 U A A U 0.6 0.935897
13 APU 0.595041 0.923077
14 B4P 0.594059 0.921053
15 AP5 0.594059 0.921053
16 ADP 0.594059 0.896104
17 AN2 0.588235 0.884615
18 AT4 0.588235 0.8625
19 M33 0.582524 0.884615
20 ATP 0.576923 0.896104
21 HEJ 0.576923 0.896104
22 ATF 0.574074 0.8625
23 A G U 0.572464 0.86747
24 PRX 0.571429 0.82716
25 5FA 0.571429 0.896104
26 APC 0.571429 0.910256
27 AQP 0.571429 0.896104
28 APR 0.571429 0.896104
29 AR6 0.571429 0.896104
30 ANP 0.570093 0.873418
31 A12 0.568627 0.910256
32 AP2 0.568627 0.910256
33 A U C C 0.566176 0.9
34 AGS 0.566038 0.851852
35 AD9 0.566038 0.873418
36 SAP 0.566038 0.851852
37 TXD 0.557377 0.911392
38 G3A 0.554622 0.876543
39 TXE 0.552846 0.935897
40 A G U U 0.552448 0.86747
41 CA0 0.552381 0.897436
42 ADX 0.552381 0.811765
43 A 0.55 0.87013
44 G5P 0.55 0.876543
45 AMP 0.55 0.87013
46 HQG 0.54955 0.884615
47 ADQ 0.548673 0.897436
48 A3R 0.548673 0.864198
49 KG4 0.54717 0.897436
50 50T 0.54717 0.860759
51 NAX 0.544715 0.925
52 NAI 0.544715 0.935897
53 6V0 0.544715 0.924051
54 A22 0.544643 0.909091
55 UDP 0.544554 0.831169
56 ADV 0.537037 0.910256
57 RBY 0.537037 0.910256
58 AP0 0.536 0.9
59 T5A 0.535433 0.914634
60 A1R 0.535088 0.864198
61 ABM 0.533981 0.848101
62 45A 0.533981 0.848101
63 GTA 0.532787 0.845238
64 A4P 0.531746 0.848837
65 660 0.531532 0.846154
66 URM 0.531532 0.846154
67 BIS 0.529915 0.841463
68 UTP 0.528846 0.831169
69 ADP MG 0.528302 0.87013
70 TAT 0.527273 0.8625
71 T99 0.527273 0.8625
72 8LH 0.526786 0.8625
73 5SV 0.526316 0.788235
74 PUA 0.526316 0.9125
75 9X8 0.525862 0.851852
76 U5F 0.52381 0.831169
77 APC MG 0.522936 0.871795
78 8LE 0.522523 0.851852
79 5AL 0.522523 0.884615
80 4AD 0.521739 0.898734
81 80F 0.515152 0.891566
82 SRA 0.514563 0.82716
83 UNP 0.514019 0.810127
84 SRP 0.513274 0.886076
85 OZV 0.513043 0.896104
86 25A 0.513043 0.896104
87 OAD 0.512821 0.897436
88 25L 0.512605 0.909091
89 ADJ 0.511628 0.835294
90 AU1 0.509259 0.873418
91 ATP MG 0.509091 0.87013
92 ADP PO3 0.509091 0.87013
93 PR8 0.508475 0.833333
94 4UV 0.508197 0.898734
95 GDU 0.504425 0.833333
96 UPG 0.504425 0.833333
97 UFM 0.504425 0.833333
98 GUD 0.504425 0.833333
99 8LQ 0.504348 0.886076
100 00A 0.504274 0.864198
101 AHX 0.504274 0.876543
102 1ZZ 0.504202 0.802326
103 3OD 0.504202 0.897436
104 44P 0.5 0.846154
105 4UU 0.5 0.898734
106 U 0.5 0.818182
107 U5P 0.5 0.818182
108 8QN 0.5 0.884615
109 SFB 0.5 0.8
110 UDM 0.5 0.835443
111 OOB 0.5 0.909091
112 WAQ 0.495798 0.864198
113 LAD 0.495798 0.843373
114 PAJ 0.495726 0.843373
115 AMO 0.495726 0.910256
116 UDH 0.495575 0.795181
117 UPP 0.495575 0.857143
118 DLL 0.491525 0.909091
119 UFG 0.491379 0.792683
120 MAP 0.491379 0.851852
121 U2F 0.491379 0.792683
122 UPF 0.491379 0.792683
123 UPU 0.490909 0.831169
124 5AS 0.490741 0.728261
125 AFH 0.488 0.865854
126 XAH 0.487805 0.823529
127 3UK 0.487395 0.897436
128 3UC 0.487395 0.792683
129 SON 0.486239 0.886076
130 EAD 0.485714 0.901235
131 4UW 0.484375 0.865854
132 DQV 0.484127 0.934211
133 9SN 0.483607 0.853659
134 B5V 0.483333 0.886076
135 U2G 0.480916 0.890244
136 OMR 0.48062 0.813953
137 B5M 0.479675 0.875
138 B5Y 0.479675 0.875
139 TXA 0.479339 0.886076
140 NB8 0.479339 0.876543
141 FYA 0.479339 0.884615
142 ME8 0.479339 0.823529
143 PTJ 0.479339 0.831325
144 G3N 0.478992 0.858974
145 ADP ALF 0.478261 0.807229
146 ALF ADP 0.478261 0.807229
147 G U 0.477273 0.855422
148 48N 0.476562 0.876543
149 GA7 0.47619 0.886076
150 LMS 0.47619 0.770115
151 ADP VO4 0.474138 0.860759
152 VO4 ADP 0.474138 0.860759
153 CNA 0.473684 0.910256
154 GAP 0.473684 0.85
155 DND 0.472868 0.910256
156 NXX 0.472868 0.910256
157 P1H 0.472222 0.879518
158 UDP UDP 0.471698 0.805195
159 USQ 0.470588 0.758621
160 GCP 0.470085 0.876543
161 YAP 0.467742 0.898734
162 FA5 0.467742 0.910256
163 A C A C 0.467153 0.9
164 NAJ PZO 0.467153 0.876543
165 4TA 0.466667 0.879518
166 UAD 0.466102 0.857143
167 UDX 0.466102 0.857143
168 DZD 0.463235 0.9125
169 ADP BMA 0.46281 0.873418
170 9ZA 0.462185 0.841463
171 9ZD 0.462185 0.841463
172 UGB 0.458333 0.844156
173 UGA 0.458333 0.844156
174 LAQ 0.457364 0.802326
175 U A C C 0.456522 0.911392
176 PAP 0.45614 0.883117
177 ATR 0.45614 0.87013
178 UD2 0.456 0.822785
179 UD1 0.456 0.822785
180 0WD 0.455882 0.924051
181 2KH 0.454545 0.810127
182 NAJ PYZ 0.453901 0.835294
183 YLP 0.453846 0.804598
184 DAL AMP 0.453782 0.860759
185 HWU 0.453125 0.802469
186 12V 0.453125 0.802469
187 MYR AMP 0.451613 0.781609
188 TAD 0.449612 0.888889
189 A3D 0.449275 0.897436
190 Y6W 0.449153 0.814815
191 IOT 0.447761 0.795455
192 Z5A 0.447552 0.827586
193 2A5 0.447368 0.85
194 A A 0.447154 0.871795
195 TYM 0.44697 0.910256
196 7D3 0.445455 0.814815
197 A2R 0.445378 0.884615
198 NAD 0.445255 0.909091
199 ATP A 0.444444 0.883117
200 ATP A A A 0.444444 0.883117
201 YLB 0.443609 0.804598
202 JB6 0.443548 0.864198
203 7D4 0.442478 0.814815
204 7MD 0.44186 0.845238
205 TXP 0.441176 0.9
206 AYB 0.441176 0.795455
207 AV2 0.440678 0.825
208 AOC 0.440367 0.782051
209 F2R 0.437956 0.825581
210 HP7 0.4375 0.833333
211 G A A A 0.434783 0.831325
212 COD 0.434783 0.797753
213 BTX 0.434783 0.825581
214 MJZ 0.434109 0.858974
215 NDP 0.433824 0.924051
216 NPW 0.433824 0.91358
217 NAQ 0.433566 0.853659
218 YLC 0.432836 0.845238
219 BT5 0.431655 0.816092
220 F5P 0.430769 0.835443
221 UD4 0.430769 0.835443
222 AR6 AR6 0.430769 0.871795
223 NZQ 0.430657 0.936709
224 XYA 0.43 0.779221
225 ADN 0.43 0.779221
226 RAB 0.43 0.779221
227 ITT 0.429825 0.846154
228 8X1 0.429752 0.741935
229 EPU 0.42963 0.802469
230 EEB 0.42963 0.802469
231 CSV 0.428571 0.804878
232 A3P 0.428571 0.87013
233 CSQ 0.428571 0.804878
234 NA7 0.427419 0.886076
235 HFD 0.42735 0.851852
236 G5A 0.42735 0.766667
237 JSQ 0.42735 0.851852
238 NAE 0.426573 0.875
239 TYR AMP 0.426357 0.875
240 UD7 0.426357 0.822785
241 AMP DBH 0.426357 0.85
242 AF3 ADP 3PG 0.425373 0.821429
243 A G 0.42446 0.841463
244 AHZ 0.424242 0.781609
245 P5A 0.424 0.734043
246 YLA 0.423358 0.825581
247 7XL 0.422414 0.8375
248 EPZ 0.422222 0.8125
249 5N5 0.421569 0.75641
250 U A G G 0.421429 0.841463
251 FDA 0.421053 0.882353
252 ZID 0.42069 0.897436
253 7D5 0.420561 0.790123
254 PPS 0.420168 0.790698
255 ARG AMP 0.419847 0.793103
256 F5G 0.419847 0.822785
257 YLY 0.41958 0.795455
258 ARU 0.419355 0.77907
259 6FA 0.418301 0.869048
260 TSB 0.418033 0.784091
261 UDZ 0.41791 0.764706
262 A4D 0.417476 0.75641
263 5CD 0.417476 0.74359
264 A5A 0.416667 0.772727
265 3DH 0.416667 0.716049
266 MAO 0.415929 0.727273
267 A2P 0.415929 0.857143
268 M2T 0.415094 0.682353
269 AVV 0.414634 0.853659
270 H1Q 0.413793 0.835443
271 IUG 0.413534 0.770115
272 SSA 0.413223 0.786517
273 SFD 0.412903 0.760417
274 FAS 0.412903 0.879518
275 FAD 0.412903 0.879518
276 3AM 0.412844 0.833333
277 7C5 0.412214 0.780488
278 7MC 0.411765 0.825581
279 NSS 0.41129 0.786517
280 LPA AMP 0.410448 0.781609
281 0RC 0.410256 0.817073
282 54H 0.409836 0.755556
283 VMS 0.409836 0.755556
284 52H 0.409836 0.747253
285 M24 0.409722 0.833333
286 FAY 0.408805 0.890244
287 6AD 0.408333 0.821429
288 NVA LMS 0.408 0.741935
289 NDC 0.407895 0.853659
290 ODP 0.407143 0.9125
291 S4M 0.40708 0.641304
292 53H 0.406504 0.747253
293 5CA 0.406504 0.786517
294 EP4 0.40566 0.698795
295 LEU LMS 0.404762 0.741935
296 AMP NAD 0.404255 0.884615
297 NDE 0.403974 0.886076
298 GP3 0.403361 0.876543
299 62F 0.402516 0.86747
300 FNK 0.402516 0.852273
301 DTA 0.401869 0.75
302 KAA 0.401575 0.741935
303 GDP 0.4 0.851852
304 URI 0.4 0.74026
305 LSS 0.4 0.75
306 DSZ 0.4 0.786517
Ligand no: 2; Ligand: ACP; Similar ligands found: 391
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 6YZ 0.833333 1
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 A12 0.808219 0.986301
12 AP2 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 AQP 0.779221 0.972222
17 5FA 0.779221 0.972222
18 AR6 0.779221 0.945205
19 APR 0.779221 0.945205
20 AGS 0.769231 0.921053
21 AD9 0.769231 0.945946
22 SAP 0.769231 0.921053
23 AMP 0.763889 0.944444
24 A 0.763889 0.944444
25 APC 0.75641 0.986301
26 ADX 0.753247 0.851852
27 CA0 0.753247 0.92
28 ANP 0.75 0.945946
29 50T 0.74359 0.932432
30 KG4 0.74359 0.92
31 PRX 0.734177 0.87013
32 45A 0.733333 0.893333
33 ABM 0.733333 0.893333
34 ATF 0.731707 0.933333
35 HQG 0.714286 0.958904
36 SRA 0.706667 0.894737
37 A22 0.705882 0.958904
38 RBY 0.703704 0.959459
39 ADV 0.703704 0.959459
40 8LE 0.698795 0.871795
41 5AL 0.698795 0.906667
42 ADP MG 0.696203 0.917808
43 ADQ 0.689655 0.92
44 A1R 0.689655 0.909091
45 A3R 0.689655 0.909091
46 AU1 0.6875 0.945946
47 T99 0.686747 0.933333
48 TAT 0.686747 0.933333
49 APC MG 0.682927 0.918919
50 SRP 0.682353 0.907895
51 8LH 0.682353 0.883117
52 9X8 0.674157 0.896104
53 OAD 0.674157 0.92
54 4TC 0.673469 0.922078
55 4AD 0.670455 0.921053
56 AMO 0.670455 0.933333
57 8LQ 0.666667 0.907895
58 00A 0.662921 0.860759
59 ATP MG 0.662651 0.917808
60 ADP PO3 0.662651 0.917808
61 BIS 0.659341 0.909091
62 3OD 0.659341 0.92
63 OZV 0.659091 0.945205
64 25A 0.659091 0.945205
65 OOB 0.659091 0.906667
66 8QN 0.659091 0.906667
67 5SV 0.659091 0.82716
68 SON 0.654321 0.933333
69 25L 0.652174 0.958904
70 PAJ 0.651685 0.8625
71 DLL 0.644444 0.906667
72 AHX 0.644444 0.897436
73 TXA 0.641304 0.907895
74 3UK 0.637363 0.894737
75 ADP ALF 0.632184 0.848101
76 ALF ADP 0.632184 0.848101
77 B5V 0.630435 0.883117
78 PR8 0.630435 0.851852
79 WAQ 0.630435 0.884615
80 LAD 0.630435 0.8625
81 MAP 0.629214 0.921053
82 LMS 0.628205 0.807229
83 GAP 0.627907 0.87013
84 ADP VO4 0.625 0.906667
85 VO4 ADP 0.625 0.906667
86 PTJ 0.623656 0.873418
87 ME8 0.623656 0.841463
88 NB8 0.623656 0.897436
89 FYA 0.623656 0.906667
90 1ZZ 0.623656 0.819277
91 UP5 0.62 0.896104
92 G3A 0.618557 0.897436
93 G5P 0.612245 0.897436
94 AFH 0.612245 0.886076
95 9SN 0.610526 0.85
96 GTA 0.606061 0.864198
97 DQV 0.606061 0.932432
98 9ZA 0.604396 0.884615
99 9ZD 0.604396 0.884615
100 YAP 0.604167 0.896104
101 B5M 0.604167 0.871795
102 FA5 0.604167 0.907895
103 B5Y 0.604167 0.871795
104 TXD 0.60396 0.884615
105 XAH 0.597938 0.841463
106 RAB 0.597222 0.821918
107 ADN 0.597222 0.821918
108 XYA 0.597222 0.821918
109 GA7 0.59596 0.907895
110 48N 0.594059 0.897436
111 DAL AMP 0.593407 0.881579
112 2A5 0.593023 0.92
113 AOC 0.592593 0.8
114 4UV 0.591837 0.871795
115 NAI 0.588235 0.884615
116 DND 0.588235 0.907895
117 NXX 0.588235 0.907895
118 NAX 0.588235 0.875
119 6V0 0.588235 0.873418
120 ATR 0.586207 0.944444
121 PAP 0.586207 0.958333
122 ADP BMA 0.585106 0.894737
123 LAQ 0.584158 0.819277
124 5AS 0.583333 0.761364
125 OMR 0.582524 0.831325
126 TXE 0.582524 0.884615
127 5N5 0.581081 0.797297
128 4UU 0.58 0.871795
129 A A 0.578947 0.918919
130 7D3 0.578313 0.881579
131 AP0 0.576923 0.873418
132 5CD 0.573333 0.783784
133 A4D 0.573333 0.797297
134 JB6 0.572917 0.884615
135 4UW 0.572816 0.839506
136 A4P 0.571429 0.823529
137 CNA 0.570093 0.907895
138 7D4 0.569767 0.881579
139 ITT 0.569767 0.917808
140 A2R 0.565217 0.958904
141 M2T 0.564103 0.716049
142 YLP 0.563107 0.821429
143 139 0.560748 0.851852
144 ADJ 0.560748 0.831325
145 T5A 0.560748 0.843373
146 TAD 0.558824 0.910256
147 ATP A 0.555556 0.905405
148 ATP A A A 0.555556 0.905405
149 A3P 0.552941 0.944444
150 TYM 0.552381 0.907895
151 IOT 0.551402 0.833333
152 EP4 0.551282 0.734177
153 MYR AMP 0.55102 0.797619
154 F2R 0.550459 0.865854
155 7D5 0.55 0.855263
156 A3D 0.54955 0.894737
157 80F 0.54955 0.843373
158 GCP 0.548387 0.922078
159 YLB 0.54717 0.821429
160 YLC 0.54717 0.841463
161 UPA 0.54717 0.884615
162 NAD 0.545455 0.906667
163 H1Q 0.545455 0.88
164 COD 0.545455 0.813953
165 JSQ 0.544444 0.921053
166 HFD 0.544444 0.921053
167 G5A 0.544444 0.781609
168 DTA 0.544304 0.766234
169 3DH 0.54321 0.753247
170 DZD 0.540541 0.910256
171 AHZ 0.538462 0.797619
172 MTA 0.5375 0.753247
173 3AM 0.536585 0.90411
174 A2P 0.534884 0.930556
175 AR6 AR6 0.533981 0.893333
176 PPS 0.532609 0.851852
177 6AD 0.532609 0.886076
178 YLA 0.53211 0.821429
179 AMP DBH 0.529412 0.87013
180 TYR AMP 0.529412 0.871795
181 AYB 0.527273 0.811765
182 A5A 0.526882 0.788235
183 TSB 0.526316 0.8
184 6RE 0.52381 0.7625
185 S4M 0.523256 0.670455
186 SSA 0.521277 0.802326
187 NA7 0.520408 0.959459
188 ARG AMP 0.519231 0.831325
189 7MD 0.519231 0.864198
190 LPA AMP 0.518868 0.797619
191 BTX 0.517857 0.843373
192 NAE 0.517241 0.871795
193 NO7 0.515789 0.907895
194 VMS 0.515789 0.770115
195 52H 0.515789 0.761364
196 54H 0.515789 0.770115
197 BT5 0.513274 0.833333
198 NAQ 0.512821 0.85
199 ZAS 0.511905 0.746835
200 IMO 0.511628 0.90411
201 J7C 0.511628 0.772152
202 A3N 0.511628 0.766234
203 AV2 0.510638 0.893333
204 53H 0.510417 0.761364
205 8X1 0.510417 0.755556
206 5CA 0.510417 0.802326
207 ARU 0.510204 0.839506
208 AF3 ADP 3PG 0.509259 0.839506
209 M24 0.508621 0.829268
210 ZID 0.508475 0.894737
211 2AM 0.506024 0.917808
212 6MZ 0.505747 0.905405
213 3AT 0.505376 0.972222
214 V3L 0.505376 0.945205
215 AVV 0.505155 0.897436
216 NSS 0.5 0.802326
217 MAO 0.5 0.761905
218 P5A 0.5 0.747253
219 EAD 0.5 0.851852
220 DSH 0.5 0.728395
221 DSZ 0.5 0.802326
222 LSS 0.5 0.764045
223 YLY 0.495726 0.811765
224 9K8 0.49505 0.698925
225 NVA LMS 0.494949 0.755556
226 DAT 0.494505 0.906667
227 5X8 0.494505 0.766234
228 AMP NAD 0.491228 0.881579
229 7MC 0.490909 0.843373
230 LEU LMS 0.49 0.755556
231 SMM 0.489583 0.689655
232 SAM 0.489362 0.694118
233 DTP 0.489362 0.906667
234 7DD 0.488889 0.958333
235 GJV 0.488636 0.753086
236 OVE 0.488372 0.881579
237 5AD 0.486842 0.726027
238 KAA 0.485149 0.755556
239 GSU 0.485149 0.781609
240 NDE 0.483871 0.907895
241 P1H 0.483871 0.831325
242 N0B 0.483333 0.821429
243 A3G 0.482759 0.802632
244 NAJ PZO 0.478632 0.82716
245 4TA 0.478261 0.809524
246 SFG 0.478261 0.753247
247 YSA 0.47619 0.781609
248 FB0 0.47619 0.827586
249 NDC 0.47619 0.85
250 7DT 0.473118 0.958333
251 A7D 0.472527 0.779221
252 J4G 0.470588 0.921053
253 NJP 0.469565 0.921053
254 FDA 0.46875 0.835294
255 SA8 0.468085 0.710843
256 A5D 0.468085 0.766234
257 MHZ 0.467391 0.701149
258 8PZ 0.466667 0.802326
259 71V 0.466667 0.884615
260 G A A A 0.465517 0.85
261 0WD 0.465517 0.897436
262 6FA 0.465116 0.843373
263 GGZ 0.464646 0.804878
264 SAH 0.463158 0.746835
265 6C6 0.463158 0.883117
266 SAI 0.463158 0.7375
267 NAJ PYZ 0.46281 0.788235
268 Y3J 0.4625 0.706667
269 B1U 0.462264 0.72043
270 LQJ 0.462264 0.893333
271 7D7 0.461538 0.723684
272 TXP 0.46087 0.897436
273 PO4 PO4 A A A A PO4 0.460784 0.878378
274 S7M 0.459184 0.694118
275 DDS 0.458333 0.855263
276 6IA 0.458333 0.839506
277 FAD 0.458015 0.853659
278 FAS 0.458015 0.853659
279 SFD 0.458015 0.736842
280 ODP 0.456897 0.886076
281 A3S 0.456522 0.813333
282 U A 0.453782 0.884615
283 7C5 0.453704 0.797468
284 EEM 0.453608 0.694118
285 AAT 0.453608 0.710843
286 A G 0.452991 0.860759
287 RGT 0.45283 0.933333
288 NPW 0.452174 0.8875
289 NDP 0.452174 0.897436
290 FAY 0.451852 0.864198
291 PGS 0.451613 0.860759
292 KOY 0.45045 0.782051
293 NEC 0.449438 0.727273
294 DA 0.449438 0.88
295 D5M 0.449438 0.88
296 U A G G 0.449153 0.860759
297 2SA 0.44898 0.933333
298 NIA 0.448276 0.802469
299 NZQ 0.448276 0.910256
300 A U 0.447368 0.848101
301 A3T 0.446809 0.8
302 A A A 0.446602 0.906667
303 128 0.446429 0.758621
304 6K6 0.445545 0.905405
305 GEK 0.445545 0.740741
306 4YB 0.445455 0.764045
307 FNK 0.444444 0.806818
308 62F 0.444444 0.864198
309 AAM 0.444444 0.944444
310 Z5A 0.443548 0.761364
311 WSA 0.442478 0.790698
312 C2R 0.44186 0.88
313 AMZ 0.44186 0.891892
314 12D 0.441441 0.767442
315 XNP 0.440678 0.851852
316 RFL 0.437956 0.823529
317 62X 0.436893 0.670455
318 N6P 0.436893 0.890411
319 AIR 0.433735 0.876712
320 N5O 0.433333 0.766234
321 GP3 0.43299 0.897436
322 A6D 0.432692 0.705882
323 V1N 0.431193 0.893333
324 649 0.429825 0.747253
325 GP2 0.428571 0.910256
326 GDP 0.428571 0.896104
327 NA0 0.428571 0.907895
328 0UM 0.427184 0.702381
329 DCA 0.42623 0.825581
330 ETB 0.42623 0.835294
331 8Q2 0.426087 0.775281
332 9JJ 0.425532 0.841463
333 GNH 0.424242 0.884615
334 NAP 0.424 0.92
335 N5A 0.423913 0.74026
336 PUA 0.422764 0.8625
337 APU 0.422414 0.871795
338 101 0.422222 0.855263
339 3AD 0.421687 0.808219
340 FA9 0.42069 0.865854
341 TAP 0.420635 0.884615
342 TM1 0.420561 0.755814
343 P5F 0.41958 0.825581
344 0T1 0.419355 0.825581
345 COA 0.419355 0.825581
346 K15 0.419048 0.686047
347 7RP 0.417582 0.902778
348 S8M 0.417476 0.7625
349 NHD 0.416667 0.881579
350 GTP 0.415842 0.896104
351 FCX 0.414062 0.797753
352 F2N 0.413793 0.816092
353 AS 0.413043 0.835443
354 7RA 0.413043 0.931507
355 G1R 0.411765 0.884615
356 SXZ 0.411215 0.714286
357 ACK 0.411111 0.837838
358 QQY 0.411111 0.794872
359 J7V 0.409449 0.813953
360 COS 0.409449 0.806818
361 30N 0.409449 0.755319
362 1DG 0.409449 0.897436
363 DG1 0.409449 0.897436
364 AMX 0.409449 0.835294
365 CAO 0.409449 0.797753
366 EO7 0.408602 0.770115
367 8BR 0.408602 0.883117
368 9BG 0.408333 0.873418
369 NVA 2AD 0.408163 0.7625
370 D3Y 0.407767 0.792208
371 9GM 0.407767 0.873418
372 G2P 0.407767 0.910256
373 GNP 0.407767 0.873418
374 GSP 0.407767 0.851852
375 KB1 0.407407 0.702381
376 CC5 0.407407 0.819444
377 A C A C 0.406504 0.82716
378 N01 0.406504 0.881579
379 CMX 0.40625 0.825581
380 SCO 0.40625 0.825581
381 HDV 0.405941 0.87013
382 CMP 0.404255 0.876712
383 2BA 0.404255 0.890411
384 ACO 0.403101 0.797753
385 FAM 0.403101 0.806818
386 2VA 0.402062 0.779221
387 3NZ 0.401869 0.78481
388 HAX 0.4 0.806818
389 26A 0.4 0.74359
390 QQX 0.4 0.78481
391 OZP 0.4 0.731707
Ligand no: 3; Ligand: U5P; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 U 1 1
3 44P 0.790323 0.941176
4 UDP 0.78125 0.984615
5 UTP 0.746269 0.984615
6 2KH 0.735294 0.955224
7 U5F 0.735294 0.984615
8 UDP UDP 0.727273 0.953846
9 UPU 0.694444 0.954545
10 UNP 0.690141 0.955224
11 660 0.662338 0.913043
12 URM 0.662338 0.913043
13 URI 0.661017 0.848485
14 UFM 0.641026 0.926471
15 GDU 0.641026 0.926471
16 GUD 0.641026 0.926471
17 UPG 0.641026 0.926471
18 U2F 0.6375 0.875
19 UPF 0.6375 0.875
20 Y6W 0.632911 0.875
21 UPP 0.628205 0.926471
22 UDH 0.628205 0.851351
23 UFG 0.617284 0.875
24 CJB 0.603175 0.80597
25 UDX 0.597561 0.926471
26 UAD 0.597561 0.926471
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGA 0.583333 0.940298
30 UGB 0.583333 0.940298
31 USQ 0.583333 0.807692
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 CAR 0.571429 0.941176
37 C 0.571429 0.941176
38 C5P 0.571429 0.941176
39 UDM 0.568182 0.9
40 5BU 0.56338 0.927536
41 U4S 0.557143 0.763889
42 UD2 0.555556 0.913043
43 UD1 0.555556 0.913043
44 CSQ 0.550562 0.863014
45 CSV 0.550562 0.863014
46 U2S 0.541667 0.777778
47 U3S 0.541667 0.763889
48 CNU 0.540541 0.941176
49 S5P 0.535211 0.901408
50 16B 0.534247 0.901408
51 U2P 0.528571 0.939394
52 UMP 0.527778 0.911765
53 DU 0.527778 0.911765
54 UD7 0.526882 0.913043
55 HP7 0.526882 0.926471
56 MJZ 0.521277 0.9
57 UP6 0.521127 0.884058
58 F5G 0.515789 0.913043
59 F5P 0.515789 0.9
60 12V 0.515789 0.887324
61 UD4 0.515789 0.9
62 HWU 0.515789 0.887324
63 BMP 0.513889 0.955224
64 UP5 0.510204 0.84
65 DKX 0.507246 0.732394
66 NUP 0.506849 0.927536
67 U6M 0.506849 0.969697
68 LSU 0.505882 0.746988
69 IUG 0.505155 0.797468
70 U1S 0.5 0.76
71 4TC 0.5 0.818182
72 EPZ 0.5 0.9
73 JW5 0.5 0.955224
74 EEB 0.49505 0.887324
75 EPU 0.49505 0.887324
76 A U 0.49505 0.815789
77 UDZ 0.494949 0.84
78 H2U 0.486111 0.911765
79 YSU 0.483516 0.756098
80 6AU 0.480519 0.969697
81 6CN 0.480519 0.941176
82 OMP 0.480519 0.969697
83 TKW 0.48 0.927536
84 UMF 0.479452 0.869565
85 UUA 0.477612 0.757576
86 U U U U 0.476744 0.954545
87 BMQ 0.472222 0.939394
88 PUP 0.47191 0.926471
89 G U 0.471154 0.797468
90 5HM 0.467532 0.888889
91 O7E 0.463415 0.941176
92 ICR 0.460526 0.830986
93 UMA 0.458716 0.9
94 O7M 0.45679 0.941176
95 UC5 0.455696 0.885714
96 UTP U U U 0.454545 0.909091
97 CDP 0.45 0.927536
98 2TU 0.449275 0.760563
99 FNU 0.441558 0.876712
100 2TM 0.440476 0.888889
101 2QR 0.439655 0.810127
102 N3E 0.4375 0.743243
103 DUD 0.4375 0.898551
104 2OM 0.435897 0.925373
105 U21 0.434783 0.797468
106 U22 0.434783 0.777778
107 U20 0.434783 0.797468
108 CTP 0.433735 0.927536
109 HF4 0.433735 0.927536
110 DUT 0.433735 0.898551
111 8OP 0.428571 0.849315
112 8GM 0.421687 0.853333
113 5GW 0.420455 0.927536
114 U A A U 0.418803 0.853333
115 4RA 0.414634 0.842105
116 0RC 0.413793 0.851351
117 DUP 0.411765 0.873239
118 DUN 0.409639 0.873239
119 UD0 0.408 0.831169
120 UM3 0.407895 0.897059
121 UVC 0.407895 0.842857
122 C5G 0.404255 0.875
123 UPA 0.401869 0.828947
124 A U C C 0.401639 0.794872
125 UAG 0.4 0.851351
126 A G U 0.4 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J4K; Ligand: U5P; 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: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2J4K; Ligand: U5P; 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: 2j4k.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2J4K; Ligand: U5P; 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: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2J4K; Ligand: U5P; 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: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2J4K; Ligand: U5P; 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: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3LL9 ADP 11.9469
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