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Receptor
PDB id Resolution Class Description Source Keywords
1UA4 1.9 Å EC: 2.7.1.2 CRYSTAL STRUCTURE OF AN ADP-DEPENDENT GLUCOKINASE FROM PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS TRANSFERASE KINASE
Ref.: CRYSTAL STRUCTURE OF AN ADP-DEPENDENT GLUCOKINASE FROM PYROCOCCUS FURIOSUS: IMPLICATIONS FOR A SUGAR-INDUCED CONFORMATIONAL CHANGE IN ADP-DEPENDENT KINASE J.MOL.BIOL. V. 331 871 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:1456;
Valid;
none;
Ki ~ 0.06 mM
347.221 C10 H14 N5 O7 P c1nc(...
BGC A:2457;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC A:1457;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UA4 1.9 Å EC: 2.7.1.2 CRYSTAL STRUCTURE OF AN ADP-DEPENDENT GLUCOKINASE FROM PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS TRANSFERASE KINASE
Ref.: CRYSTAL STRUCTURE OF AN ADP-DEPENDENT GLUCOKINASE FROM PYROCOCCUS FURIOSUS: IMPLICATIONS FOR A SUGAR-INDUCED CONFORMATIONAL CHANGE IN ADP-DEPENDENT KINASE J.MOL.BIOL. V. 331 871 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1UA4 Ki ~ 0.06 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5O5Y - GLC C6 H12 O6 C([C@@H]1[....
2 5O5Z - AT4 C10 H15 N5 O9 P2 S c1nc(c2c(n....
3 1GC5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1UA4 Ki ~ 0.06 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5O5Y - GLC C6 H12 O6 C([C@@H]1[....
2 5O5Z - AT4 C10 H15 N5 O9 P2 S c1nc(c2c(n....
3 1GC5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5O0J Ki = 160 uM 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
5 1UA4 Ki ~ 0.06 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Ligand no: 2; Ligand: BGC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 3; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UA4; Ligand: GLC; Similar sites found with APoc: 166
This union binding pocket(no: 1) in the query (biounit: 1ua4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3LDJ SCR None
2 3Q9T FAY 1.31868
3 6CUZ FEV 1.54639
4 3LOO B4P 1.64384
5 5L6G XYP 1.75824
6 2NAD NAD 1.78117
7 4EWH T77 1.81818
8 5HTX ADP 1.82232
9 2VAR KDG 1.91693
10 2VAR KDF 1.91693
11 2GOU FMN 1.91781
12 1HYH NAD 1.94175
13 6EOZ 58K 1.94805
14 6EOZ AKG 1.94805
15 1GPE FAD 1.97802
16 1ON3 MCA 1.97802
17 5A0U CHT 1.97802
18 2V7Y ADP 1.97802
19 3OTX AP5 2.01729
20 2I6A 5I5 2.02899
21 1TUF AZ1 2.07373
22 6ALW BMJ 2.08333
23 2ABS ACP 2.08877
24 5F7J ADE 2.1875
25 3AI7 TPP 2.1978
26 2JEN GLC GLC BGC XYS BGC XYS 2.29885
27 4XYB NDP 2.30179
28 2C49 ADN 2.31788
29 3R1Z ALA DGL 2.37467
30 3R1Z ALA GLU 2.37467
31 4AQ4 G3P 2.38663
32 3QVP FAD 2.41758
33 5TBS ADE 2.43902
34 6F6J CUW 2.51397
35 6F6J SIN 2.51397
36 2A8Y MTA 2.59259
37 5Y72 DST 2.68657
38 2JG1 TA6 2.72727
39 4JD0 1KH 2.78884
40 2HIM ASN 2.7933
41 6EOF ADP 2.85714
42 6ASY ATP 2.85714
43 2BQP GLC 2.99145
44 1OYB HBA 3
45 5EXW 7DT 3
46 5DN9 NAD 3.02198
47 2Y5S 78H 3.06122
48 5FPE 3TR 3.10078
49 1Y9Q MED 3.125
50 6FOG OXL 3.125
51 5YSQ INS 3.14685
52 1V1A KDG 3.23625
53 2PTR 2SA 3.2967
54 5DK4 5BX 3.34347
55 5DK4 ATP 3.34347
56 6DIO CIT 3.4965
57 1I7L ATP 3.55987
58 4BTK DTQ 3.56083
59 4XF6 INS 3.663
60 4XF6 ADP 3.663
61 4XF6 LIP 3.663
62 5HCF BGC 3.69004
63 5FAW CHT 3.73626
64 2EB5 OXL 3.74532
65 3CLH NAD 3.79009
66 2P3V SRT 3.90625
67 3L0E G58 3.95257
68 3ZIU LSS 3.95604
69 1B4N GUA 3.95604
70 2VZZ SCA 4.12844
71 4XDA ADP 4.20712
72 4XDA RIB 4.20712
73 3STD MQ0 4.24242
74 1VMK GUN 4.33213
75 4JD3 COA 4.53258
76 4JD3 PLM 4.53258
77 2FLI DX5 4.54545
78 1VEM GLC GLC 4.61538
79 1SR7 MOF 4.6332
80 4M26 AKG 4.67033
81 4M26 ZZU 4.67033
82 4M26 SIN 4.67033
83 1LJ8 NAD 4.83517
84 1EYE PMM 5
85 2HW1 FRU 5.03356
86 2PV7 NAD 5.03356
87 3T3C 017 5.05051
88 5AE9 OKO 5.05494
89 1GEG NAD 5.07812
90 3FB4 AP5 5.09259
91 3NC9 TR3 5.11182
92 2R0D 4IP 5.4755
93 2R09 4IP 5.4755
94 4TMC HBA 5.49451
95 5ICE SAH 5.49451
96 3G6K POP 5.51948
97 3G6K FAD 5.51948
98 4Z87 5GP 5.71429
99 3RLF ANP 5.71429
100 4E5N NAD 5.75758
101 5FLJ QUE 5.91398
102 5Y6Q FAD 5.93407
103 4A59 AMP 5.93407
104 5J60 FAD 5.9375
105 1QIN GIP 6.01093
106 4NJS G08 6.06061
107 1PNO NAP 6.11111
108 1LLU NAD 6.14035
109 1RKD RIB 6.14887
110 1RKD ADP 6.14887
111 4AF0 IMP 6.15385
112 2HSA FMN 6.15385
113 2GSD NAD 6.21891
114 4Z0G 5GP 6.2954
115 3DER ALA LYS 6.37681
116 5JXZ ISC 6.39386
117 5JXZ ISJ 6.39386
118 5JY4 ISC 6.39386
119 4CDN FO1 6.59341
120 4CDN FAD 6.59341
121 5FI4 5XV 6.59341
122 5IFK HPA 6.73077
123 5TBM 79A 6.83761
124 4A2A ATP 6.92124
125 4A2B AGS 6.92124
126 3L24 GOA 7.03297
127 2FN1 SAL 7.32265
128 5TQZ GLC 7.33333
129 4ORR PE3 7.36842
130 5BO9 SIA GAL NGS 7.43034
131 5LLT DND 7.51174
132 4L2I FAD 7.51445
133 3B1Q NOS 7.66871
134 3WGT FAD 7.78098
135 4R38 RBF 7.85714
136 4LNU GTP 8.20399
137 5EIB GTP 8.20399
138 1G2O IMH 8.20895
139 4EHU ANP 8.33333
140 4JAW NGT GAL 8.57143
141 4LQY AMP 8.72818
142 2C6Q IMP 8.83191
143 4PVV HO4 8.95062
144 5K4W THR 9.03427
145 2J5B TYE 9.1954
146 1U1I NAD 9.23077
147 2BLE 5GP 9.26431
148 4N14 WR7 9.55414
149 5M4Q PRO 9.89011
150 4N9I PCG 10.4762
151 3CQD ATP 10.6796
152 2H8Z 8CM 10.8635
153 2H8Z FMN 10.8635
154 1B8O IMH 10.9155
155 4P7X AKG 10.9589
156 4P7X YCP 10.9589
157 2PLK P3D 10.9785
158 5YYF PHQ GLN THR ALA ARG LYS NH2 FOA 11.3475
159 3BAZ NAP 12.012
160 2P3C 3TL 12.1212
161 4A62 ANP 13.125
162 1FHW I5P 13.9535
163 1FHX 4IP 13.9535
164 3G6N MET ALA SER 17.2775
165 4JGX PLM 21.7054
166 4CYD CMP 28.5714
Pocket No.: 2; Query (leader) PDB : 1UA4; Ligand: BGC; Similar sites found with APoc: 166
This union binding pocket(no: 2) in the query (biounit: 1ua4.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3LDJ SCR None
2 3Q9T FAY 1.31868
3 6CUZ FEV 1.54639
4 3LOO B4P 1.64384
5 5L6G XYP 1.75824
6 2NAD NAD 1.78117
7 4EWH T77 1.81818
8 5HTX ADP 1.82232
9 2VAR KDG 1.91693
10 2VAR KDF 1.91693
11 2GOU FMN 1.91781
12 1HYH NAD 1.94175
13 6EOZ 58K 1.94805
14 6EOZ AKG 1.94805
15 1GPE FAD 1.97802
16 1ON3 MCA 1.97802
17 5A0U CHT 1.97802
18 2V7Y ADP 1.97802
19 3OTX AP5 2.01729
20 2I6A 5I5 2.02899
21 1TUF AZ1 2.07373
22 6ALW BMJ 2.08333
23 2ABS ACP 2.08877
24 5F7J ADE 2.1875
25 3AI7 TPP 2.1978
26 2JEN GLC GLC BGC XYS BGC XYS 2.29885
27 4XYB NDP 2.30179
28 2C49 ADN 2.31788
29 3R1Z ALA DGL 2.37467
30 3R1Z ALA GLU 2.37467
31 4AQ4 G3P 2.38663
32 3QVP FAD 2.41758
33 5TBS ADE 2.43902
34 6F6J CUW 2.51397
35 6F6J SIN 2.51397
36 2A8Y MTA 2.59259
37 5Y72 DST 2.68657
38 2JG1 TA6 2.72727
39 4JD0 1KH 2.78884
40 2HIM ASN 2.7933
41 6EOF ADP 2.85714
42 6ASY ATP 2.85714
43 2BQP GLC 2.99145
44 1OYB HBA 3
45 5EXW 7DT 3
46 5DN9 NAD 3.02198
47 2Y5S 78H 3.06122
48 5FPE 3TR 3.10078
49 1Y9Q MED 3.125
50 6FOG OXL 3.125
51 5YSQ INS 3.14685
52 1V1A KDG 3.23625
53 2PTR 2SA 3.2967
54 5DK4 5BX 3.34347
55 5DK4 ATP 3.34347
56 6DIO CIT 3.4965
57 1I7L ATP 3.55987
58 4BTK DTQ 3.56083
59 4XF6 INS 3.663
60 4XF6 ADP 3.663
61 4XF6 LIP 3.663
62 5HCF BGC 3.69004
63 5FAW CHT 3.73626
64 2EB5 OXL 3.74532
65 3CLH NAD 3.79009
66 2P3V SRT 3.90625
67 3L0E G58 3.95257
68 3ZIU LSS 3.95604
69 1B4N GUA 3.95604
70 2VZZ SCA 4.12844
71 4XDA ADP 4.20712
72 4XDA RIB 4.20712
73 3STD MQ0 4.24242
74 1VMK GUN 4.33213
75 4JD3 COA 4.53258
76 4JD3 PLM 4.53258
77 2FLI DX5 4.54545
78 1VEM GLC GLC 4.61538
79 1SR7 MOF 4.6332
80 4M26 AKG 4.67033
81 4M26 ZZU 4.67033
82 4M26 SIN 4.67033
83 1LJ8 NAD 4.83517
84 1EYE PMM 5
85 2HW1 FRU 5.03356
86 2PV7 NAD 5.03356
87 3T3C 017 5.05051
88 5AE9 OKO 5.05494
89 1GEG NAD 5.07812
90 3FB4 AP5 5.09259
91 3NC9 TR3 5.11182
92 2R0D 4IP 5.4755
93 2R09 4IP 5.4755
94 4TMC HBA 5.49451
95 5ICE SAH 5.49451
96 3G6K POP 5.51948
97 3G6K FAD 5.51948
98 4Z87 5GP 5.71429
99 3RLF ANP 5.71429
100 4E5N NAD 5.75758
101 5FLJ QUE 5.91398
102 5Y6Q FAD 5.93407
103 4A59 AMP 5.93407
104 5J60 FAD 5.9375
105 1QIN GIP 6.01093
106 4NJS G08 6.06061
107 1PNO NAP 6.11111
108 1LLU NAD 6.14035
109 1RKD RIB 6.14887
110 1RKD ADP 6.14887
111 4AF0 IMP 6.15385
112 2HSA FMN 6.15385
113 2GSD NAD 6.21891
114 4Z0G 5GP 6.2954
115 3DER ALA LYS 6.37681
116 5JXZ ISC 6.39386
117 5JXZ ISJ 6.39386
118 5JY4 ISC 6.39386
119 4CDN FO1 6.59341
120 4CDN FAD 6.59341
121 5FI4 5XV 6.59341
122 5IFK HPA 6.73077
123 5TBM 79A 6.83761
124 4A2A ATP 6.92124
125 4A2B AGS 6.92124
126 3L24 GOA 7.03297
127 2FN1 SAL 7.32265
128 5TQZ GLC 7.33333
129 4ORR PE3 7.36842
130 5BO9 SIA GAL NGS 7.43034
131 5LLT DND 7.51174
132 4L2I FAD 7.51445
133 3B1Q NOS 7.66871
134 3WGT FAD 7.78098
135 4R38 RBF 7.85714
136 4LNU GTP 8.20399
137 5EIB GTP 8.20399
138 1G2O IMH 8.20895
139 4EHU ANP 8.33333
140 4JAW NGT GAL 8.57143
141 4LQY AMP 8.72818
142 2C6Q IMP 8.83191
143 4PVV HO4 8.95062
144 5K4W THR 9.03427
145 2J5B TYE 9.1954
146 1U1I NAD 9.23077
147 2BLE 5GP 9.26431
148 4N14 WR7 9.55414
149 5M4Q PRO 9.89011
150 4N9I PCG 10.4762
151 3CQD ATP 10.6796
152 2H8Z 8CM 10.8635
153 2H8Z FMN 10.8635
154 1B8O IMH 10.9155
155 4P7X AKG 10.9589
156 4P7X YCP 10.9589
157 2PLK P3D 10.9785
158 5YYF PHQ GLN THR ALA ARG LYS NH2 FOA 11.3475
159 3BAZ NAP 12.012
160 2P3C 3TL 12.1212
161 4A62 ANP 13.125
162 1FHW I5P 13.9535
163 1FHX 4IP 13.9535
164 3G6N MET ALA SER 17.2775
165 4JGX PLM 21.7054
166 4CYD CMP 28.5714
Pocket No.: 3; Query (leader) PDB : 1UA4; Ligand: AMP; Similar sites found with APoc: 68
This union binding pocket(no: 3) in the query (biounit: 1ua4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4IZY 1J2 1.62602
2 3LOO B4P 1.64384
3 3EJW PAV 1.90476
4 2VAR ANP 1.91693
5 2VAR AMP 1.91693
6 1GQG DCD 2
7 3OTX AP5 2.01729
8 5VC5 96M 2.07612
9 2ABS ACP 2.08877
10 2C49 ANP 2.31788
11 4RF7 ARG 2.63736
12 2JG1 ANP 2.72727
13 2H8H H8H 2.99065
14 4YZN 4K5 3.13589
15 5A7Y SAH 3.20513
16 1V1A ADP 3.23625
17 2GOO NDG 3.50877
18 4N8I COA 3.51648
19 2Q6B HR2 3.62812
20 4XF6 ADP 3.663
21 4XF6 LIP 3.663
22 4XF6 INS 3.663
23 4USF 6UI 3.94737
24 4C5N PXL 3.98551
25 4C5N ACP 3.98551
26 2PUL ACP 4.03023
27 5TA6 79D 4.18994
28 3NCQ ATP 4.20168
29 4XDA RIB 4.20712
30 4XDA ADP 4.20712
31 5U6C 7YS 4.44444
32 3FC2 IBI 4.47761
33 4YDU ADP 4.64135
34 6CQF F97 4.7138
35 4MZU TDR 4.80769
36 1KQR MNA 5.02793
37 2HW1 ANP 5.03356
38 3T3C 017 5.05051
39 3NC9 TR3 5.11182
40 4UHL VFV 5.15695
41 2PHN GDP 5.71429
42 5A89 FMN 5.76923
43 5A89 ADP 5.76923
44 2V58 LZJ 5.79065
45 4E93 GUI 5.83554
46 3WV1 WHH 5.84795
47 2J9C ATP 5.88235
48 4UXL 5P8 5.90062
49 1RKD ADP 6.14887
50 1RKD RIB 6.14887
51 3T95 PAV 6.26866
52 5BVE 4VG 6.37363
53 4Q5M ROC 6.40394
54 1KJ1 MAN 6.42202
55 5FBN 5WF 6.64207
56 1TJY PAV 6.64557
57 6BFN DL1 6.72515
58 5T2Z 017 7.07071
59 4XSH NAI 7.30594
60 5EWK P34 8.5
61 4PVV HO4 8.95062
62 2AK3 AMP 9.29204
63 5UIU 8CG 10.2167
64 5CEO 50D 10.6667
65 3CQD ATP 10.6796
66 5YZ2 AMP 11.1111
67 2P3B 3TL 13.1313
68 1UO4 PIH 44.1176
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