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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: 291
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 AP5 0.594059 0.921053
15 B4P 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 HEJ 0.576923 0.896104
21 ATP 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 AR6 0.571429 0.896104
26 APC 0.571429 0.910256
27 AQP 0.571429 0.896104
28 APR 0.571429 0.896104
29 5FA 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 ADX 0.552381 0.811765
42 CA0 0.552381 0.897436
43 A 0.55 0.87013
44 AMP 0.55 0.87013
45 G5P 0.55 0.876543
46 ADQ 0.548673 0.897436
47 A3R 0.548673 0.864198
48 50T 0.54717 0.860759
49 NAX 0.544715 0.925
50 6V0 0.544715 0.924051
51 NAI 0.544715 0.935897
52 A22 0.544643 0.909091
53 UDP 0.544554 0.831169
54 ADV 0.537037 0.910256
55 RBY 0.537037 0.910256
56 AP0 0.536 0.9
57 T5A 0.535433 0.914634
58 A1R 0.535088 0.864198
59 ABM 0.533981 0.848101
60 GTA 0.532787 0.845238
61 A4P 0.531746 0.848837
62 660 0.531532 0.846154
63 URM 0.531532 0.846154
64 BIS 0.529915 0.841463
65 UTP 0.528846 0.831169
66 TAT 0.527273 0.8625
67 T99 0.527273 0.8625
68 PUA 0.526316 0.9125
69 5SV 0.526316 0.788235
70 9X8 0.525862 0.851852
71 5AL 0.522523 0.884615
72 4AD 0.521739 0.898734
73 80F 0.515152 0.891566
74 SRA 0.514563 0.82716
75 UNP 0.514019 0.810127
76 SRP 0.513274 0.886076
77 25A 0.513043 0.896104
78 OAD 0.512821 0.897436
79 25L 0.512605 0.909091
80 ADJ 0.511628 0.835294
81 AU1 0.509259 0.873418
82 ADP PO3 0.509091 0.87013
83 PR8 0.508475 0.833333
84 4UV 0.508197 0.898734
85 GDU 0.504425 0.833333
86 GUD 0.504425 0.833333
87 UPG 0.504425 0.833333
88 UFM 0.504425 0.833333
89 AHX 0.504274 0.876543
90 00A 0.504274 0.864198
91 3OD 0.504202 0.897436
92 1ZZ 0.504202 0.802326
93 SFB 0.5 0.8
94 8QN 0.5 0.884615
95 U 0.5 0.818182
96 U5P 0.5 0.818182
97 OOB 0.5 0.909091
98 44P 0.5 0.846154
99 UDM 0.5 0.835443
100 4UU 0.5 0.898734
101 WAQ 0.495798 0.864198
102 LAD 0.495798 0.843373
103 AMO 0.495726 0.910256
104 PAJ 0.495726 0.843373
105 UPP 0.495575 0.857143
106 UDH 0.495575 0.795181
107 DLL 0.491525 0.909091
108 U2F 0.491379 0.792683
109 UPF 0.491379 0.792683
110 UFG 0.491379 0.792683
111 MAP 0.491379 0.851852
112 UPU 0.490909 0.831169
113 5AS 0.490741 0.728261
114 AFH 0.488 0.865854
115 XAH 0.487805 0.823529
116 3UC 0.487395 0.792683
117 3UK 0.487395 0.897436
118 SON 0.486239 0.886076
119 EAD 0.485714 0.901235
120 4UW 0.484375 0.865854
121 DQV 0.484127 0.934211
122 9SN 0.483607 0.853659
123 B5V 0.483333 0.886076
124 U2G 0.480916 0.890244
125 OMR 0.48062 0.813953
126 B5M 0.479675 0.875
127 B5Y 0.479675 0.875
128 NB8 0.479339 0.876543
129 ME8 0.479339 0.823529
130 PTJ 0.479339 0.831325
131 FYA 0.479339 0.884615
132 TXA 0.479339 0.886076
133 G3N 0.478992 0.858974
134 ADP ALF 0.478261 0.807229
135 ALF ADP 0.478261 0.807229
136 G U 0.477273 0.855422
137 48N 0.476562 0.876543
138 LMS 0.47619 0.770115
139 GA7 0.47619 0.886076
140 ADP VO4 0.474138 0.860759
141 VO4 ADP 0.474138 0.860759
142 CNA 0.473684 0.910256
143 GAP 0.473684 0.85
144 DND 0.472868 0.910256
145 NXX 0.472868 0.910256
146 P1H 0.472222 0.879518
147 UDP UDP 0.471698 0.805195
148 USQ 0.470588 0.758621
149 GCP 0.470085 0.876543
150 FA5 0.467742 0.910256
151 YAP 0.467742 0.898734
152 A C A C 0.467153 0.9
153 NAJ PZO 0.467153 0.876543
154 4TA 0.466667 0.879518
155 UAD 0.466102 0.857143
156 UDX 0.466102 0.857143
157 DZD 0.463235 0.9125
158 ADP BMA 0.46281 0.873418
159 9ZA 0.462185 0.841463
160 9ZD 0.462185 0.841463
161 UGA 0.458333 0.844156
162 UGB 0.458333 0.844156
163 LAQ 0.457364 0.802326
164 U A C C 0.456522 0.911392
165 PAP 0.45614 0.883117
166 ATR 0.45614 0.87013
167 UD1 0.456 0.822785
168 UD2 0.456 0.822785
169 0WD 0.455882 0.924051
170 2KH 0.454545 0.810127
171 NAJ PYZ 0.453901 0.835294
172 YLP 0.453846 0.804598
173 DAL AMP 0.453782 0.860759
174 12V 0.453125 0.802469
175 HWU 0.453125 0.802469
176 MYR AMP 0.451613 0.781609
177 TAD 0.449612 0.888889
178 A3D 0.449275 0.897436
179 Y6W 0.449153 0.814815
180 IOT 0.447761 0.795455
181 Z5A 0.447552 0.827586
182 2A5 0.447368 0.85
183 A A 0.447154 0.871795
184 TYM 0.44697 0.910256
185 7D3 0.445455 0.814815
186 A2R 0.445378 0.884615
187 NAD 0.445255 0.909091
188 ATP A A A 0.444444 0.883117
189 YLB 0.443609 0.804598
190 JB6 0.443548 0.864198
191 7D4 0.442478 0.814815
192 7MD 0.44186 0.845238
193 AYB 0.441176 0.795455
194 TXP 0.441176 0.9
195 AV2 0.440678 0.825
196 AOC 0.440367 0.782051
197 F2R 0.437956 0.825581
198 HP7 0.4375 0.833333
199 G A A A 0.434783 0.831325
200 BTX 0.434783 0.825581
201 COD 0.434783 0.797753
202 MJZ 0.434109 0.858974
203 NPW 0.433824 0.91358
204 NDP 0.433824 0.924051
205 NAQ 0.433566 0.853659
206 YLC 0.432836 0.845238
207 BT5 0.431655 0.816092
208 F5P 0.430769 0.835443
209 AR6 AR6 0.430769 0.871795
210 UD4 0.430769 0.835443
211 NZQ 0.430657 0.936709
212 ADN 0.43 0.779221
213 RAB 0.43 0.779221
214 XYA 0.43 0.779221
215 ITT 0.429825 0.846154
216 8X1 0.429752 0.741935
217 EEB 0.42963 0.802469
218 EPU 0.42963 0.802469
219 CSV 0.428571 0.804878
220 A3P 0.428571 0.87013
221 CSQ 0.428571 0.804878
222 NA7 0.427419 0.886076
223 G5A 0.42735 0.766667
224 HFD 0.42735 0.851852
225 NAE 0.426573 0.875
226 AMP DBH 0.426357 0.85
227 TYR AMP 0.426357 0.875
228 UD7 0.426357 0.822785
229 AF3 ADP 3PG 0.425373 0.821429
230 A G 0.42446 0.841463
231 AHZ 0.424242 0.781609
232 P5A 0.424 0.734043
233 YLA 0.423358 0.825581
234 7XL 0.422414 0.8375
235 EPZ 0.422222 0.8125
236 5N5 0.421569 0.75641
237 U A G G 0.421429 0.841463
238 FDA 0.421053 0.882353
239 ZID 0.42069 0.897436
240 7D5 0.420561 0.790123
241 PPS 0.420168 0.790698
242 F5G 0.419847 0.822785
243 ARG AMP 0.419847 0.793103
244 YLY 0.41958 0.795455
245 ARU 0.419355 0.77907
246 6FA 0.418301 0.869048
247 TSB 0.418033 0.784091
248 UDZ 0.41791 0.764706
249 A4D 0.417476 0.75641
250 5CD 0.417476 0.74359
251 3DH 0.416667 0.716049
252 A5A 0.416667 0.772727
253 MAO 0.415929 0.727273
254 A2P 0.415929 0.857143
255 M2T 0.415094 0.682353
256 AVV 0.414634 0.853659
257 IUG 0.413534 0.770115
258 SSA 0.413223 0.786517
259 FAS 0.412903 0.879518
260 FAD 0.412903 0.879518
261 SFD 0.412903 0.760417
262 3AM 0.412844 0.833333
263 7C5 0.412214 0.780488
264 7MC 0.411765 0.825581
265 NSS 0.41129 0.786517
266 LPA AMP 0.410448 0.781609
267 54H 0.409836 0.755556
268 VMS 0.409836 0.755556
269 52H 0.409836 0.747253
270 M24 0.409722 0.833333
271 FAY 0.408805 0.890244
272 6AD 0.408333 0.821429
273 NVA LMS 0.408 0.741935
274 NDC 0.407895 0.853659
275 ODP 0.407143 0.9125
276 S4M 0.40708 0.641304
277 53H 0.406504 0.747253
278 5CA 0.406504 0.786517
279 EP4 0.40566 0.698795
280 LEU LMS 0.404762 0.741935
281 AMP NAD 0.404255 0.884615
282 NDE 0.403974 0.886076
283 GP3 0.403361 0.876543
284 62F 0.402516 0.86747
285 FNK 0.402516 0.852273
286 DTA 0.401869 0.75
287 KAA 0.401575 0.741935
288 LSS 0.4 0.75
289 DSZ 0.4 0.786517
290 GDP 0.4 0.851852
291 URI 0.4 0.74026
Ligand no: 2; Ligand: ACP; Similar ligands found: 368
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 6YZ 0.833333 1
5 BA3 0.833333 0.945205
6 AP5 0.821918 0.945205
7 B4P 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 AP2 0.808219 0.986301
12 A12 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 5FA 0.779221 0.972222
17 AR6 0.779221 0.945205
18 AQP 0.779221 0.972222
19 APR 0.779221 0.945205
20 AGS 0.769231 0.921053
21 SAP 0.769231 0.921053
22 AD9 0.769231 0.945946
23 AMP 0.763889 0.944444
24 A 0.763889 0.944444
25 APC 0.75641 0.986301
26 CA0 0.753247 0.92
27 ADX 0.753247 0.851852
28 ANP 0.75 0.945946
29 50T 0.74359 0.932432
30 PRX 0.734177 0.87013
31 ABM 0.733333 0.893333
32 ATF 0.731707 0.933333
33 SRA 0.706667 0.894737
34 A22 0.705882 0.958904
35 RBY 0.703704 0.959459
36 ADV 0.703704 0.959459
37 5AL 0.698795 0.906667
38 A3R 0.689655 0.909091
39 A1R 0.689655 0.909091
40 ADQ 0.689655 0.92
41 AU1 0.6875 0.945946
42 TAT 0.686747 0.933333
43 T99 0.686747 0.933333
44 SRP 0.682353 0.907895
45 9X8 0.674157 0.896104
46 OAD 0.674157 0.92
47 4TC 0.673469 0.922078
48 4AD 0.670455 0.921053
49 AMO 0.670455 0.933333
50 00A 0.662921 0.860759
51 ADP PO3 0.662651 0.917808
52 3OD 0.659341 0.92
53 BIS 0.659341 0.909091
54 25A 0.659091 0.945205
55 OOB 0.659091 0.906667
56 8QN 0.659091 0.906667
57 5SV 0.659091 0.82716
58 SON 0.654321 0.933333
59 25L 0.652174 0.958904
60 PAJ 0.651685 0.8625
61 DLL 0.644444 0.906667
62 AHX 0.644444 0.897436
63 TXA 0.641304 0.907895
64 3UK 0.637363 0.894737
65 ALF ADP 0.632184 0.848101
66 ADP ALF 0.632184 0.848101
67 PR8 0.630435 0.851852
68 WAQ 0.630435 0.884615
69 B5V 0.630435 0.883117
70 LAD 0.630435 0.8625
71 MAP 0.629214 0.921053
72 LMS 0.628205 0.807229
73 GAP 0.627907 0.87013
74 VO4 ADP 0.625 0.906667
75 ADP VO4 0.625 0.906667
76 PTJ 0.623656 0.873418
77 FYA 0.623656 0.906667
78 ME8 0.623656 0.841463
79 1ZZ 0.623656 0.819277
80 NB8 0.623656 0.897436
81 UP5 0.62 0.896104
82 G3A 0.618557 0.897436
83 G5P 0.612245 0.897436
84 AFH 0.612245 0.886076
85 9SN 0.610526 0.85
86 DQV 0.606061 0.932432
87 GTA 0.606061 0.864198
88 9ZD 0.604396 0.884615
89 9ZA 0.604396 0.884615
90 YAP 0.604167 0.896104
91 FA5 0.604167 0.907895
92 B5Y 0.604167 0.871795
93 B5M 0.604167 0.871795
94 TXD 0.60396 0.884615
95 XAH 0.597938 0.841463
96 ADN 0.597222 0.821918
97 RAB 0.597222 0.821918
98 XYA 0.597222 0.821918
99 GA7 0.59596 0.907895
100 48N 0.594059 0.897436
101 DAL AMP 0.593407 0.881579
102 2A5 0.593023 0.92
103 AOC 0.592593 0.8
104 4UV 0.591837 0.871795
105 NXX 0.588235 0.907895
106 6V0 0.588235 0.873418
107 NAX 0.588235 0.875
108 DND 0.588235 0.907895
109 NAI 0.588235 0.884615
110 ATR 0.586207 0.944444
111 PAP 0.586207 0.958333
112 ADP BMA 0.585106 0.894737
113 LAQ 0.584158 0.819277
114 5AS 0.583333 0.761364
115 OMR 0.582524 0.831325
116 TXE 0.582524 0.884615
117 5N5 0.581081 0.797297
118 4UU 0.58 0.871795
119 A A 0.578947 0.918919
120 7D3 0.578313 0.881579
121 AP0 0.576923 0.873418
122 A4D 0.573333 0.797297
123 5CD 0.573333 0.783784
124 JB6 0.572917 0.884615
125 4UW 0.572816 0.839506
126 A4P 0.571429 0.823529
127 CNA 0.570093 0.907895
128 ITT 0.569767 0.917808
129 7D4 0.569767 0.881579
130 A2R 0.565217 0.958904
131 M2T 0.564103 0.716049
132 YLP 0.563107 0.821429
133 139 0.560748 0.851852
134 ADJ 0.560748 0.831325
135 T5A 0.560748 0.843373
136 TAD 0.558824 0.910256
137 ATP A A A 0.555556 0.905405
138 A3P 0.552941 0.944444
139 TYM 0.552381 0.907895
140 IOT 0.551402 0.833333
141 EP4 0.551282 0.734177
142 MYR AMP 0.55102 0.797619
143 F2R 0.550459 0.865854
144 7D5 0.55 0.855263
145 A3D 0.54955 0.894737
146 80F 0.54955 0.843373
147 GCP 0.548387 0.922078
148 UPA 0.54717 0.884615
149 YLC 0.54717 0.841463
150 YLB 0.54717 0.821429
151 NAD 0.545455 0.906667
152 COD 0.545455 0.813953
153 G5A 0.544444 0.781609
154 HFD 0.544444 0.921053
155 DTA 0.544304 0.766234
156 3DH 0.54321 0.753247
157 DZD 0.540541 0.910256
158 AHZ 0.538462 0.797619
159 MTA 0.5375 0.753247
160 3AM 0.536585 0.90411
161 A2P 0.534884 0.930556
162 AR6 AR6 0.533981 0.893333
163 PPS 0.532609 0.851852
164 6AD 0.532609 0.886076
165 YLA 0.53211 0.821429
166 TYR AMP 0.529412 0.871795
167 AMP DBH 0.529412 0.87013
168 AYB 0.527273 0.811765
169 A5A 0.526882 0.788235
170 TSB 0.526316 0.8
171 6RE 0.52381 0.7625
172 S4M 0.523256 0.670455
173 SSA 0.521277 0.802326
174 NA7 0.520408 0.959459
175 7MD 0.519231 0.864198
176 ARG AMP 0.519231 0.831325
177 LPA AMP 0.518868 0.797619
178 BTX 0.517857 0.843373
179 NAE 0.517241 0.871795
180 54H 0.515789 0.770115
181 52H 0.515789 0.761364
182 VMS 0.515789 0.770115
183 BT5 0.513274 0.833333
184 NAQ 0.512821 0.85
185 ZAS 0.511905 0.746835
186 J7C 0.511628 0.772152
187 A3N 0.511628 0.766234
188 IMO 0.511628 0.90411
189 AV2 0.510638 0.893333
190 53H 0.510417 0.761364
191 8X1 0.510417 0.755556
192 5CA 0.510417 0.802326
193 ARU 0.510204 0.839506
194 AF3 ADP 3PG 0.509259 0.839506
195 M24 0.508621 0.829268
196 ZID 0.508475 0.894737
197 2AM 0.506024 0.917808
198 V3L 0.505376 0.945205
199 3AT 0.505376 0.972222
200 AVV 0.505155 0.897436
201 NSS 0.5 0.802326
202 EAD 0.5 0.851852
203 DSZ 0.5 0.802326
204 MAO 0.5 0.761905
205 LSS 0.5 0.764045
206 DSH 0.5 0.728395
207 P5A 0.5 0.747253
208 YLY 0.495726 0.811765
209 9K8 0.49505 0.698925
210 NVA LMS 0.494949 0.755556
211 DAT 0.494505 0.906667
212 5X8 0.494505 0.766234
213 AMP NAD 0.491228 0.881579
214 7MC 0.490909 0.843373
215 LEU LMS 0.49 0.755556
216 SMM 0.489583 0.689655
217 SAM 0.489362 0.694118
218 DTP 0.489362 0.906667
219 7DD 0.488889 0.958333
220 GJV 0.488636 0.753086
221 OVE 0.488372 0.881579
222 5AD 0.486842 0.726027
223 GSU 0.485149 0.781609
224 KAA 0.485149 0.755556
225 P1H 0.483871 0.831325
226 NDE 0.483871 0.907895
227 N0B 0.483333 0.821429
228 A3G 0.482759 0.802632
229 NAJ PZO 0.478632 0.82716
230 4TA 0.478261 0.809524
231 SFG 0.478261 0.753247
232 NDC 0.47619 0.85
233 YSA 0.47619 0.781609
234 FB0 0.47619 0.827586
235 7DT 0.473118 0.958333
236 A7D 0.472527 0.779221
237 NJP 0.469565 0.921053
238 FDA 0.46875 0.835294
239 SA8 0.468085 0.710843
240 A5D 0.468085 0.766234
241 MHZ 0.467391 0.701149
242 8PZ 0.466667 0.802326
243 71V 0.466667 0.884615
244 G A A A 0.465517 0.85
245 0WD 0.465517 0.897436
246 6FA 0.465116 0.843373
247 GGZ 0.464646 0.804878
248 SAI 0.463158 0.7375
249 SAH 0.463158 0.746835
250 6C6 0.463158 0.883117
251 NAJ PYZ 0.46281 0.788235
252 Y3J 0.4625 0.706667
253 7D7 0.461538 0.723684
254 TXP 0.46087 0.897436
255 PO4 PO4 A A A A PO4 0.460784 0.878378
256 S7M 0.459184 0.694118
257 6IA 0.458333 0.839506
258 DDS 0.458333 0.855263
259 FAS 0.458015 0.853659
260 FAD 0.458015 0.853659
261 SFD 0.458015 0.736842
262 ODP 0.456897 0.886076
263 A3S 0.456522 0.813333
264 U A 0.453782 0.884615
265 7C5 0.453704 0.797468
266 EEM 0.453608 0.694118
267 AAT 0.453608 0.710843
268 A G 0.452991 0.860759
269 RGT 0.45283 0.933333
270 NPW 0.452174 0.8875
271 NDP 0.452174 0.897436
272 FAY 0.451852 0.864198
273 PGS 0.451613 0.860759
274 D5M 0.449438 0.88
275 DA 0.449438 0.88
276 NEC 0.449438 0.727273
277 U A G G 0.449153 0.860759
278 2SA 0.44898 0.933333
279 NIA 0.448276 0.802469
280 NZQ 0.448276 0.910256
281 A U 0.447368 0.848101
282 A3T 0.446809 0.8
283 A A A 0.446602 0.906667
284 128 0.446429 0.758621
285 6K6 0.445545 0.905405
286 GEK 0.445545 0.740741
287 4YB 0.445455 0.764045
288 AAM 0.444444 0.944444
289 FNK 0.444444 0.806818
290 62F 0.444444 0.864198
291 Z5A 0.443548 0.761364
292 WSA 0.442478 0.790698
293 AMZ 0.44186 0.891892
294 C2R 0.44186 0.88
295 12D 0.441441 0.767442
296 XNP 0.440678 0.851852
297 RFL 0.437956 0.823529
298 62X 0.436893 0.670455
299 N6P 0.436893 0.890411
300 AIR 0.433735 0.876712
301 GP3 0.43299 0.897436
302 A6D 0.432692 0.705882
303 V1N 0.431193 0.893333
304 649 0.429825 0.747253
305 GP2 0.428571 0.910256
306 GDP 0.428571 0.896104
307 NA0 0.428571 0.907895
308 0UM 0.427184 0.702381
309 ETB 0.42623 0.835294
310 DCA 0.42623 0.825581
311 8Q2 0.426087 0.775281
312 9JJ 0.425532 0.841463
313 GNH 0.424242 0.884615
314 NAP 0.424 0.92
315 PUA 0.422764 0.8625
316 APU 0.422414 0.871795
317 101 0.422222 0.855263
318 3AD 0.421687 0.808219
319 FA9 0.42069 0.865854
320 TAP 0.420635 0.884615
321 TM1 0.420561 0.755814
322 P5F 0.41958 0.825581
323 0T1 0.419355 0.825581
324 COA 0.419355 0.825581
325 K15 0.419048 0.686047
326 7RP 0.417582 0.902778
327 S8M 0.417476 0.7625
328 NHD 0.416667 0.881579
329 GTP 0.415842 0.896104
330 FCX 0.414062 0.797753
331 F2N 0.413793 0.816092
332 AS 0.413043 0.835443
333 7RA 0.413043 0.931507
334 G1R 0.411765 0.884615
335 SXZ 0.411215 0.714286
336 ACK 0.411111 0.837838
337 QQY 0.411111 0.794872
338 CAO 0.409449 0.797753
339 COS 0.409449 0.806818
340 DG1 0.409449 0.897436
341 30N 0.409449 0.755319
342 AMX 0.409449 0.835294
343 1DG 0.409449 0.897436
344 J7V 0.409449 0.813953
345 EO7 0.408602 0.770115
346 8BR 0.408602 0.883117
347 NVA 2AD 0.408163 0.7625
348 D3Y 0.407767 0.792208
349 GSP 0.407767 0.851852
350 9GM 0.407767 0.873418
351 GNP 0.407767 0.873418
352 G2P 0.407767 0.910256
353 CC5 0.407407 0.819444
354 KB1 0.407407 0.702381
355 N01 0.406504 0.881579
356 A C A C 0.406504 0.82716
357 SCO 0.40625 0.825581
358 CMX 0.40625 0.825581
359 HDV 0.405941 0.87013
360 CMP 0.404255 0.876712
361 2BA 0.404255 0.890411
362 ACO 0.403101 0.797753
363 FAM 0.403101 0.806818
364 2VA 0.402062 0.779221
365 3NZ 0.401869 0.78481
366 HAX 0.4 0.806818
367 QQX 0.4 0.78481
368 26A 0.4 0.74359
Ligand no: 3; Ligand: U5P; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 U 1 1
2 U5P 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 UDP UDP 0.727273 0.953846
8 UPU 0.694444 0.954545
9 UNP 0.690141 0.955224
10 660 0.662338 0.913043
11 URM 0.662338 0.913043
12 URI 0.661017 0.848485
13 GUD 0.641026 0.926471
14 UFM 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GDU 0.641026 0.926471
17 UPF 0.6375 0.875
18 U2F 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 3UC 0.588235 0.875
27 U U 0.585366 0.969697
28 UGB 0.583333 0.940298
29 USQ 0.583333 0.807692
30 UGA 0.583333 0.940298
31 5FU 0.57971 0.927536
32 G3N 0.576471 0.9
33 UA3 0.573529 0.953846
34 U3P 0.573529 0.953846
35 CAR 0.571429 0.941176
36 C 0.571429 0.941176
37 C5P 0.571429 0.941176
38 UDM 0.568182 0.9
39 5BU 0.56338 0.927536
40 U4S 0.557143 0.763889
41 UD1 0.555556 0.913043
42 UD2 0.555556 0.913043
43 CSQ 0.550562 0.863014
44 CSV 0.550562 0.863014
45 U2S 0.541667 0.777778
46 U3S 0.541667 0.763889
47 CNU 0.540541 0.941176
48 S5P 0.535211 0.901408
49 16B 0.534247 0.901408
50 U2P 0.528571 0.939394
51 DU 0.527778 0.911765
52 UMP 0.527778 0.911765
53 HP7 0.526882 0.926471
54 UD7 0.526882 0.913043
55 MJZ 0.521277 0.9
56 UP6 0.521127 0.884058
57 12V 0.515789 0.887324
58 F5G 0.515789 0.913043
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 F5P 0.515789 0.9
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 NUP 0.506849 0.927536
66 U6M 0.506849 0.969697
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 4TC 0.5 0.818182
71 JW5 0.5 0.955224
72 EEB 0.49505 0.887324
73 A U 0.49505 0.815789
74 EPU 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 OMP 0.480519 0.969697
78 6AU 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 G U 0.471154 0.797468
87 5HM 0.467532 0.888889
88 O7E 0.463415 0.941176
89 ICR 0.460526 0.830986
90 UMA 0.458716 0.9
91 O7M 0.45679 0.941176
92 UC5 0.455696 0.885714
93 UTP U U U 0.454545 0.909091
94 CDP 0.45 0.927536
95 2TU 0.449275 0.760563
96 FNU 0.441558 0.876712
97 2QR 0.439655 0.810127
98 DUD 0.4375 0.898551
99 N3E 0.4375 0.743243
100 2OM 0.435897 0.925373
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 U22 0.434783 0.777778
104 DUT 0.433735 0.898551
105 HF4 0.433735 0.927536
106 CTP 0.433735 0.927536
107 8OP 0.428571 0.849315
108 8GM 0.421687 0.853333
109 5GW 0.420455 0.927536
110 U A A U 0.418803 0.853333
111 4RA 0.414634 0.842105
112 DUP 0.411765 0.873239
113 DUN 0.409639 0.873239
114 UD0 0.408 0.831169
115 UVC 0.407895 0.842857
116 UM3 0.407895 0.897059
117 C5G 0.404255 0.875
118 UPA 0.401869 0.828947
119 A U C C 0.401639 0.794872
120 UAG 0.4 0.851351
121 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: 72
This union binding pocket(no: 1) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 5KIQ SIA GAL NAG FUC None
3 1UDH URA 1.32743
4 1TE2 PGA 2.21239
5 2HIM ASP 2.21239
6 5IM3 DTP 2.65487
7 2DTJ THR 2.80899
8 1UI0 URA 2.92683
9 4QAR ADE 2.98507
10 2EUG URA 3.09735
11 2QB8 ATP 3.09735
12 5A1S FLC 3.09735
13 4WS6 WBU 3.09735
14 1NML CIT 3.09735
15 2Z49 AMG 3.09735
16 3FSY SCA 3.53982
17 3BP1 GUN 3.53982
18 1GS5 ANP 3.53982
19 1GS5 NLG 3.53982
20 6HT0 GQ8 3.87097
21 5GOP FRU 3.9823
22 3W68 PBU 3.9823
23 5GOO FRU 3.9823
24 4KJG 4NP 3.9823
25 5T52 A2G 4.42478
26 5T52 NGA 4.42478
27 5BU2 ADP 4.42478
28 5CIC 51R 4.62963
29 5XFH NAG MAN BMA MAN NAG GAL 4.82759
30 3F5A SIA GAL NAG 4.86726
31 4XWT U5P 4.86726
32 3UN3 G16 4.86726
33 5ZAI COA 5.75221
34 4LZB URA 6.30252
35 4YGM URA 6.63717
36 5H4S RAM 6.63717
37 5FQD LVY 6.63717
38 1E19 ADP 7.07965
39 1PIG GLC GLC 7.07965
40 2ZX2 RAM 7.17949
41 5YF9 NIO 7.52212
42 5N6N SUC 7.52212
43 5H9I XAN 7.9646
44 5LX9 OLB 7.9646
45 5T96 79J 7.9646
46 4V1F BQ1 8.13953
47 3K56 IS3 8.40708
48 3AB4 THR 8.40708
49 5DNC ASN 8.40708
50 2AKO ADP 8.84956
51 1CZA ADP 8.84956
52 3KCC CMP 8.84956
53 3LL5 ADP 9.29204
54 3LL5 IPE 9.29204
55 3LL5 IP8 9.29204
56 3LL5 ATP 9.29204
57 4OGQ 1O2 9.29204
58 1VMK GUN 9.29204
59 3C1M ANP 9.73451
60 1TZD ADP 9.73451
61 2DT9 THR 10.6195
62 3LL9 ADP 11.9469
63 4F4S EFO 13.1579
64 2J0W ADP 13.2743
65 3A75 GLU 13.7168
66 2CZL TLA 14.1593
67 5MWE TCE 17.1429
68 3QUR ADP 25.2212
69 3QUR FM4 25.2212
70 2BNF UTP 43.8053
71 4NDO ATP 44.6903
72 2BNE U5P 46.4602
Pocket No.: 2; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 2j4k.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1U4L H1S None
2 2H5Z CTO None
3 1U29 I3P None
4 1FHX 4IP None
5 2R09 4IP 1.32743
6 5VJN IR8 1.60428
7 5VJN ADE 1.60428
8 1OYJ GSH 2.21239
9 6EOM ALA LYS 2.21239
10 2RC8 DSN 2.21239
11 4LHD GLY 2.21239
12 3O7B SAH 2.21239
13 4M3P HCS 2.21239
14 4PTN PYR 2.65487
15 2RCA GLY 2.65487
16 6BSW UDP 2.65487
17 4J51 N75 2.65487
18 1M26 GAL A2G 3.00752
19 2Z48 A2G 3.09735
20 1GJW GLC 3.09735
21 3G89 SAM 3.21285
22 3B9Q MLI 3.53982
23 3VPD CIT 3.53982
24 5CK5 GDP 3.53982
25 1A0J BEN 3.58744
26 2ITM XUL 3.92562
27 3COB ADP 3.9823
28 1QD0 RR6 4.6875
29 2FR6 URI 4.79452
30 2FR6 CTN 4.79452
31 1VBH PEP 4.86726
32 4B4U NAP 5.30973
33 6AC9 ANP 5.30973
34 3UG4 AHR 5.75221
35 2QHV OC9 5.75221
36 4KAX 4IP 5.91716
37 1Z0N BCD 6.25
38 3UYW TAU 6.63717
39 4XPQ FUL 6.63717
40 2Q1A 2KT 6.63717
41 4MS4 2C0 6.63717
42 1XXR MAN 6.8323
43 3RV5 DXC 7.86517
44 1SQL GUN 7.9646
45 2B99 RDL 8.33333
46 5TQZ GLC 8.66667
47 2XOC ADP 8.84956
48 1KAE NAD 8.84956
49 2NGR AF3 8.90052
50 5Z84 CHD 9.18367
51 2PEL LAT 9.29204
52 2PEL LBT 9.29204
53 1V2F HCI 9.73451
54 5FPN KYD 9.73451
55 1UTJ ABN 10.177
56 5TP0 BRN 10.7143
57 2IU8 PLM 11.0619
58 2UVO NAG 11.1111
59 4WGF HX2 12.6829
60 5GQI CTP 12.8319
61 5A0U CHT 13.7168
62 2UYQ SAM 14.1593
63 6MDE MEV 14.6018
64 5LWY OLB 15.126
65 5C9P FUC 16.8142
66 5ODT ADP 17.3913
67 1VBO MAN 18.1416
68 1VBO MAN MAN MAN 18.1416
69 1XF1 CIT 18.5841
Pocket No.: 3; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 2HIM ASN 2.21239
3 1U1J MET 2.65487
4 2QJY UQ2 3.9823
5 3ZOA ACR 3.9823
6 4C2G ALA ALA ALA ALA 6.19469
7 1CZA G6P 8.84956
8 4BQS ADP 9.65909
9 4W9N TCL 9.73451
10 2UVO NDG 11.1111
11 3KIF GDL 16.0377
12 2J5V RGP 20.7965
Pocket No.: 4; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 2j4k.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1FHW I5P None
2 1LAN LEU 2.21239
3 2ZL4 ALA ALA ALA ALA 2.55102
4 1W3T 3GR 3.09735
5 4GLW NMN 3.53982
6 3T64 DU3 4.41989
7 3B6O TMP 4.86726
8 6C4A PYR 5.30973
9 2J9D ADP 6.72269
10 1UKG MMA 7.07965
11 4R8L ASP 7.9646
12 5E9G GLV 7.9646
13 1IGW PYR 8.84956
14 4OGQ 7PH 9.29204
15 2DBX GLU 11.0619
16 4JOB TLA 11.5044
17 2J0W ASP 13.2743
Pocket No.: 5; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 19
This union binding pocket(no: 5) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4GK9 MAN BMA MAN MAN MAN 2.65487
2 5EQ8 HSO 3.09735
3 5HC0 NPO 3.09735
4 3UC5 ATP 3.18471
5 3PPQ CHT 3.53982
6 1TL2 NDG 3.53982
7 4RT1 C2E 3.57143
8 2JK0 ASP 3.9823
9 2D3N GLC GLC GLC 3.9823
10 3TFC PEP 3.9823
11 2YP9 SIA CMO 4.86726
12 2YLD CMO 5.51181
13 3ETG GTP 7.9646
14 5MB4 NAG 8.40708
15 5OLK DTP 9.73451
16 4RKX 3S9 10.728
17 5VLC HSO 11.5044
18 1P9P SAH 12.8319
19 2GMH BHG 16.8142
Pocket No.: 6; Query (leader) PDB : 2J4K; Ligand: U5P; Similar sites found with APoc: 15
This union binding pocket(no: 6) in the query (biounit: 2j4k.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1QPR PHT 2.65487
2 4NAE 1GP 2.66667
3 4AU8 Z3R 4.42478
4 4FGC PQ0 4.84848
5 4HN1 THM 4.97512
6 4HN1 TDR 4.97512
7 3R4S SIA 5.30973
8 4UCI ADN 5.75221
9 2QES ADE 5.75221
10 3N1S 5GP 6.19469
11 1MAI I3P 6.87023
12 3MYZ TFX 7
13 5KAX RHQ 7.22892
14 3PTG 932 8.84956
15 2WE5 ADP 8.84956
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