-->
Receptor
PDB id Resolution Class Description Source Keywords
4JLS 2.2 Å EC: 2.4.2.22 CRYSTAL STRUCTURE OF E. COLI XGPRT IN COMPLEX WITH (3R,4S)-4 9-YL)-3-HYDROXYPYRROLIDIN-1-N-YLACETYLPHOSPHONIC ACID ESCHERICHIA COLI XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE PURINE SALVAGE NUCLEOSIDE PHOSPHONATE ANTIBACTERIAL TRANSFERASE
Ref.: INHIBITION OF THE ESCHERICHIA COLI 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASES BY NUCLEOSIDE PHOSPHONAT POTENTIAL FOR NEW ANTIBACTERIAL AGENTS. J.MED.CHEM. V. 56 6967 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3ZE H:201;
B:201;
C:201;
A:201;
I:201;
J:201;
D:201;
E:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 2.2 uM
358.247 C11 H15 N6 O6 P c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JLS 2.2 Å EC: 2.4.2.22 CRYSTAL STRUCTURE OF E. COLI XGPRT IN COMPLEX WITH (3R,4S)-4 9-YL)-3-HYDROXYPYRROLIDIN-1-N-YLACETYLPHOSPHONIC ACID ESCHERICHIA COLI XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE PURINE SALVAGE NUCLEOSIDE PHOSPHONATE ANTIBACTERIAL TRANSFERASE
Ref.: INHIBITION OF THE ESCHERICHIA COLI 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASES BY NUCLEOSIDE PHOSPHONAT POTENTIAL FOR NEW ANTIBACTERIAL AGENTS. J.MED.CHEM. V. 56 6967 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1A96 - PCP C6 H15 O13 P3 C1[C@@H]([....
2 4JLS Ki = 2.2 uM 3ZE C11 H15 N6 O6 P c1nc2c(n1[....
3 1A95 - GUN C5 H5 N5 O c1[nH]c2c(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1A96 - PCP C6 H15 O13 P3 C1[C@@H]([....
2 4JLS Ki = 2.2 uM 3ZE C11 H15 N6 O6 P c1nc2c(n1[....
3 1A95 - GUN C5 H5 N5 O c1[nH]c2c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1A96 - PCP C6 H15 O13 P3 C1[C@@H]([....
2 4JLS Ki = 2.2 uM 3ZE C11 H15 N6 O6 P c1nc2c(n1[....
3 1A95 - GUN C5 H5 N5 O c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3ZE; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 3ZE 1 1
2 WPG 0.53 0.911392
3 DGP 0.451613 0.897436
4 DG 0.451613 0.897436
5 DGI 0.424242 0.886076
6 3GP 0.410526 0.858974
7 2GP 0.410526 0.848101
8 P1G 0.408163 0.835443
9 DGT 0.407767 0.886076
10 GMP 0.404494 0.772152
11 G 0.402062 0.871795
12 P2G 0.402062 0.822785
13 5GP 0.402062 0.871795
14 GH3 0.4 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 411
This union binding pocket(no: 1) in the query (biounit: 4jls.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2BW7 ECS None
2 2CFC NAD None
3 3TAY MN0 None
4 2QG6 NMN None
5 1PNO NAP None
6 3OU2 SAH 1.31579
7 3RHJ NAP 1.31579
8 1U3G THF 1.31579
9 6CI9 NAP 1.31579
10 1XKQ NDP 1.31579
11 5G4L NDP 1.31579
12 3WH2 FLC 1.36054
13 1XCL SAH 1.97368
14 4P5E N6P 1.97368
15 1P1C SAH 1.97368
16 3C56 PH4 1.97368
17 2WSB NAD 1.97368
18 5EOW FAD 1.97368
19 1T5B FMN 1.97368
20 1RRC ADP 1.97368
21 1F28 UMP 1.97368
22 3N9R TD3 1.97368
23 5N2D 8J8 2.08333
24 5NIU 8YZ 2.34375
25 3MB5 SAM 2.63158
26 5WYF ILP 2.63158
27 3RI1 3RH 2.63158
28 2EV9 SKM 2.63158
29 1HYH NAD 2.63158
30 1OBV FMN 2.63158
31 2PX8 SAH 2.63158
32 4LTN FMN 2.63158
33 1TLG GAL 3.2
34 4PW9 MSS 3.28947
35 3ELW SAM 3.28947
36 5CUQ NSC 3.28947
37 4P8K FAD 3.28947
38 4P8K 38C 3.28947
39 3ELW GP3 3.28947
40 5WA0 MSS 3.28947
41 1I8T FAD 3.28947
42 5GSN FAD 3.28947
43 2P41 SAH 3.28947
44 3LKZ SFG 3.28947
45 3QH2 3NM 3.28947
46 1AUX AGS 3.28947
47 2XVF FAD 3.28947
48 3EVG SAH 3.28947
49 1CTU ZEB 3.28947
50 4JB1 NAP 3.28947
51 4JB1 FAD 3.28947
52 4CNG SAH 3.28947
53 1PK8 ATP 3.28947
54 2GV8 FAD 3.28947
55 2GVC FAD 3.28947
56 1VL0 NAI 3.28947
57 1DJL NAP 3.28947
58 3H4V NAP 3.28947
59 4UP3 NDP 3.28947
60 4RF2 NAP 3.28947
61 1KGI T4A 3.93701
62 1T57 FMN 3.94737
63 3X44 PUS 3.94737
64 4HKP TKW 3.94737
65 1Q0S SAH 3.94737
66 5T2U NAP 3.94737
67 6F9Q NAD 3.94737
68 6D6Y SAH 3.94737
69 3VYW SAM 3.94737
70 4USR FAD 3.94737
71 2NYA MGD 3.94737
72 1O5I NAD 3.94737
73 5GT9 NAP 3.94737
74 1XHL NDP 3.94737
75 1H0H 2MD 3.94737
76 2A9D MTE 3.94737
77 1SOX MTE 3.94737
78 4I54 1C1 3.94737
79 5EPO NAP 3.94737
80 2BD0 NAP 3.94737
81 4HJY NAG NAG NAG 3.94737
82 4YRY FAD 3.94737
83 4ITU NAI 3.94737
84 1G55 SAH 3.94737
85 5B3A 0JO 3.94737
86 3NUG NAD 3.94737
87 4N49 SAM 3.94737
88 3L9R L9R 3.94737
89 3L9R L9Q 3.94737
90 2DKH FAD 3.94737
91 2BNF UTP 3.94737
92 3H86 AP5 3.94737
93 5NNA BZM 3.94737
94 3HAZ NAD 3.94737
95 5ZCT ANP 3.94737
96 2JBH 5GP 4.60526
97 4KXL 6C6 4.60526
98 3GDH SAH 4.60526
99 3PC3 P1T 4.60526
100 4YSW NAI 4.60526
101 4YSW FAD 4.60526
102 1V5Y 4HC 4.60526
103 1V5Y FMN 4.60526
104 2BII MTV 4.60526
105 4B2D FBP 4.60526
106 2XCG XCG 4.60526
107 3GCZ SAM 4.60526
108 4AUT FAD 4.60526
109 4E5N NAD 4.60526
110 5WQP NAP 4.60526
111 1TLL FMN 4.60526
112 4EMI FAD 4.60526
113 3ETH ATP 4.60526
114 5JCJ NAP 4.60526
115 5WQP NCA 4.60526
116 5X2Z 3LM 4.60526
117 9LDT NAD 4.60526
118 4EMJ FAD 4.60526
119 1U7Z PMT 4.60526
120 4MO2 FAD 4.60526
121 2WD7 NAP 4.60526
122 5ZBC FAD 4.60526
123 2FJK 13P 4.60526
124 5OVL NAP 4.60526
125 4CLR FDB 4.60526
126 5VN0 FAD 4.60526
127 4O0L NDP 4.60526
128 5JDI NAP 4.60526
129 1F76 FMN 4.60526
130 1VQW FAD 4.60526
131 3LN9 FLC 5.03597
132 2JKY 5GP 5.26316
133 5UBG PRT 5.26316
134 5KVA SAM 5.26316
135 3A4T SFG 5.26316
136 3GAY P6T 5.26316
137 4USQ FAD 5.26316
138 2WOX NDP 5.26316
139 1LBF 137 5.26316
140 1U7T TDT 5.26316
141 2ZAT NAP 5.26316
142 1U7T NAD 5.26316
143 1IY8 NAD 5.26316
144 3NRR D16 5.26316
145 4IP7 FBP 5.26316
146 4Z24 FAD 5.26316
147 3NRR UMP 5.26316
148 5O98 NAP 5.26316
149 4QLX FMN 5.26316
150 2VHW NAI 5.26316
151 5K9B FMN 5.26316
152 1VPV PLM 5.26316
153 3MVH WFE 5.26316
154 3C3N FMN 5.26316
155 4D9M 0JO 5.26316
156 4F07 FAD 5.26316
157 4P86 5GP 5.92105
158 3C3Y SAH 5.92105
159 3NRZ FAD 5.92105
160 1R18 SAH 5.92105
161 1NM5 NAD 5.92105
162 1V97 FAD 5.92105
163 3HQP FDP 5.92105
164 2JAH NDP 5.92105
165 5E72 SAM 5.92105
166 4CNK FAD 5.92105
167 2BJK NAD 5.92105
168 2C5A GDC 5.92105
169 2C5A NAD 5.92105
170 5YSS NAD 5.92105
171 4ITH RCM 5.92105
172 4U0S ADP 5.92105
173 2Q4W FAD 5.92105
174 1BKJ FMN 5.92105
175 1UNB PN1 5.92105
176 2OOR TXP 5.92105
177 1FIQ FAD 5.92105
178 6FDF SAH 5.92105
179 3IAE D7K 5.92105
180 5THY SAH 6.17284
181 5THZ SAH 6.17284
182 1JG3 ADN 6.57895
183 4LPG 1MV 6.57895
184 4D9C PMP 6.57895
185 2VVL FAD 6.57895
186 1WY7 SAH 6.57895
187 5MW4 5JU 6.57895
188 4NBW NAD 6.57895
189 2AG5 NAD 6.57895
190 1LYX PGA 6.57895
191 4BLW AMP 6.57895
192 1NW5 SAM 6.57895
193 4E1Z 0MX 6.57895
194 5TZO 7V7 6.57895
195 4BLW SAH 6.57895
196 4YAC NAI 6.57895
197 1OFU GDP 6.57895
198 3TLJ SAH 6.57895
199 5TCI MLI 6.57895
200 2HNK SAH 7.11297
201 4P83 U5P 7.23684
202 1D6S PLP MET 7.23684
203 1D6S MET PLP 7.23684
204 5APG EEM 7.23684
205 1DNP FAD 7.23684
206 5AE2 FYC 7.23684
207 5AE2 FAD 7.23684
208 5GVR LMR 7.23684
209 2B4Q NAP 7.23684
210 1DL5 SAH 7.23684
211 2Q8Z NUP 7.23684
212 3EVF SAH 7.23684
213 3EVF GTA 7.23684
214 1L5Y BEF 7.23684
215 3WXB NDP 7.23684
216 2YG3 FAD 7.23684
217 2QA1 FAD 7.23684
218 3ICT FAD 7.23684
219 1E5Q NDP 7.23684
220 4OSP NAP 7.23684
221 1UJP CIT 7.23684
222 2OYS FMN 7.23684
223 3ICR FAD 7.23684
224 1GEG NAD 7.23684
225 3SXN COA 7.23684
226 4YMH SAH 7.23684
227 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 7.36842
228 2PS1 PRP 7.89474
229 2PS1 ORO 7.89474
230 3W8X FAD 7.89474
231 3W8X FTK 7.89474
232 2PWY SAH 7.89474
233 3PT9 SAH 7.89474
234 1WG8 SAM 7.89474
235 1CX9 NHP 7.89474
236 1FK8 NAD 7.89474
237 1E8G FCR 7.89474
238 4FN4 NAD 7.89474
239 1E8G FAD 7.89474
240 4FZV SAM 7.89474
241 5AK0 8V1 7.89474
242 2IHK CSF 7.89474
243 1QAN SAH 7.89474
244 5LUN OGA 7.89474
245 5LUN ARG 7.89474
246 2WA2 SAM 7.89474
247 5B4T 3HR 7.89474
248 5B4T NAD 7.89474
249 2Q2V NAD 7.89474
250 5U5G NAP 7.89474
251 2H1H AFH 7.89474
252 6BYF CIT 7.89474
253 5N6C NAD 7.89474
254 2OFD NGA 8.4507
255 5D85 P1T 8.55263
256 5Y6Q FAD 8.55263
257 2GU8 796 8.55263
258 1PR9 NAP 8.55263
259 1Q1R FAD 8.55263
260 3D3W NAP 8.55263
261 1WMA NDP 8.55263
262 1WMA AB3 8.55263
263 1TMM HHR 8.55263
264 1TMM APC 8.55263
265 6FUL E7Z 8.55263
266 4UCI SAM 8.55263
267 1X1T NAD 8.55263
268 5EJ2 NAD 8.55263
269 1P72 ADP 8.55263
270 4JEJ 1GP 8.55263
271 2GAG NAD 9.09091
272 1J0D 5PA 9.21053
273 1N2X SAM 9.21053
274 1I9G SAM 9.21053
275 3TKA SAM 9.21053
276 4KCT FDP 9.21053
277 4F9C 0SX 9.21053
278 5J60 FAD 9.21053
279 5JJR SAH 9.21053
280 1SQF SAM 9.21053
281 5TDF ADP 9.21053
282 5UKL SIX 9.21053
283 1PS9 FAD 9.21053
284 1VG8 GNP 9.21053
285 4E03 ADP 9.21053
286 1AG9 FMN 9.21053
287 6GKV SAH 9.21053
288 5V03 658 9.39597
289 3ZEI AWH 9.86842
290 1FFU FAD 9.86842
291 1RM6 FAD 9.86842
292 5Z2L NDP 9.86842
293 2VQD AP2 9.86842
294 4NTC FAD 9.86842
295 5K04 COA 9.86842
296 5OYH T99 9.86842
297 3WVR AMP 9.86842
298 3T7V SAM 9.86842
299 4R78 AMP 9.86842
300 1KOR ARG 9.86842
301 1QB7 ADE 10.5263
302 1L3I SAH 10.5263
303 2VPQ ANP 10.5263
304 1A27 NAP 10.5263
305 5MPT SAH 10.5263
306 1L2T ATP 10.5263
307 2DKN NAI 10.5263
308 5ULP KB1 10.5263
309 4POO SAM 10.5263
310 1DQX BMP 10.5263
311 3M6W SAM 10.5263
312 2E5A LAQ 10.5263
313 5YW5 ADE 10.5263
314 2DPM SAM 10.5263
315 5FVJ ACO 10.5263
316 3AAQ ARU 10.5263
317 1LH0 PRP 11.1842
318 1LH0 ORO 11.1842
319 3LOO B4P 11.1842
320 1XTT U5P 11.1842
321 4MV1 ADP 11.1842
322 3RC3 ANP 11.1842
323 1J3I UMP 11.1842
324 3E5A VX6 11.3636
325 3OZG SSI 11.8421
326 3VC3 C6P 11.8421
327 5ERG SAM 11.8421
328 4A22 TD4 11.8421
329 5WS9 AMP 11.8421
330 6GNC FAD 11.8421
331 2NX1 RP5 11.8421
332 2NX1 PEP 11.8421
333 5G5G FAD 12.5
334 6C2Z P1T 12.5
335 1N62 FAD 12.5
336 1Z6Z NAP 12.5
337 4J7U NAP 12.5
338 4J7U YTZ 12.5
339 3IHG FAD 12.5
340 5F3I 5UJ 12.5
341 5VM6 9EG 13.1387
342 4HXY NDP 13.1579
343 2JJK R15 13.1579
344 4LXQ TYD 13.1579
345 4LXQ FON 13.1579
346 2GDZ NAD 13.1579
347 2QX0 APC 13.1579
348 5VZ0 ADP 13.8158
349 3RUV ANP 13.8158
350 3UYK 0CX 13.8158
351 2V58 LZJ 13.8158
352 3H0L ADP 13.8158
353 5LXT ACP 13.986
354 3ORQ ADP 14.4737
355 1I1N SAH 14.4737
356 2JAP NDP 14.4737
357 3HVJ 705 14.4737
358 5VJE GOS 14.4737
359 1N5D NDP 14.4737
360 3A28 NAD 14.4737
361 5GWT SIN 15.1316
362 5GWT NAD 15.1316
363 4ZOH FAD 15.7895
364 1SNY NAP 15.7895
365 6AMI TRP 15.7895
366 4ZOH MCN 15.7895
367 4Z87 GDP 16.4474
368 1UPF URF 16.4474
369 1F0X FAD 16.4474
370 3VPC ADP 16.4474
371 2X2T GAL NGA 17.1053
372 2FCR FMN 17.1053
373 2DJH 3PD UM3 17.3913
374 1QK3 5GP 17.7632
375 1T3Q FAD 17.7632
376 3HRD FAD 17.7632
377 3HRD MCN 17.7632
378 3AY6 NAI 17.7632
379 1GVF PGH 17.7632
380 4RHY 3QG 18.408
381 5THQ NDP 18.4211
382 4CQM NAP 18.4211
383 1P4A PCP 18.4211
384 5K2M ADP 19.7368
385 3RYC GDP 20.2797
386 3S1S SAH 21.0526
387 1BZY IMU 21.0526
388 5K5Z ANP 21.0526
389 1EJ0 SAM 21.7105
390 5Y5Q DUT 21.7105
391 1JCM 137 21.7105
392 3SJU NDP 23.0263
393 3ACC 5GP 25
394 2XTZ GSP 25
395 5VJN ADE 25.1337
396 5VJN IR8 25.1337
397 6FCH PRP 25.6579
398 1MZV AMP 25.6579
399 1O5O U5P 25.6579
400 1E6W NAD 26.3158
401 1E3W NAD 26.3158
402 1V7C HEY 26.9737
403 1DQN IMU 27.6316
404 3MBI HSX 27.6316
405 1L1Q 9DA 28.2895
406 1HGX 5GP 31.5789
407 6AR9 3L4 35.5263
408 6APV 3L4 39.4737
409 1YFZ IMP 44.7368
410 1P19 IMP 45.3947
411 1PZM 5GP 45.3947
Pocket No.: 2; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 78
This union binding pocket(no: 2) in the query (biounit: 4jls.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1N07 FMN None
2 5KBE IPH None
3 1N07 ADP None
4 3GWL FAD None
5 1M26 GAL A2G 1.50376
6 1G0N NDP 1.97368
7 1G0N PHH 1.97368
8 5DQ8 FLF 2.63158
9 4RPL 3UC 3.28947
10 4RPL FAD 3.28947
11 1XG5 NAP 3.28947
12 5FFF 5XC 3.28947
13 3B2Q ATP 3.28947
14 4NBU NAI 3.28947
15 1W73 NAP 3.28947
16 5FFF NAP 3.28947
17 4Y93 746 3.28947
18 1W8D NAP 3.28947
19 1W6U NAP 3.64238
20 4WZ8 3W7 3.94737
21 4FL3 ANP 3.94737
22 5NM7 GLY 3.94737
23 1L7N AF3 3.94737
24 1P0F NAP 3.94737
25 4B7X NAP 3.94737
26 1Q5H DUD 4.08163
27 5G3U FDA 4.60526
28 1AE1 NAP 4.60526
29 2AE2 NAP 4.60526
30 2AE2 PTO 4.60526
31 3NZK C90 4.60526
32 3JQF AX2 4.60526
33 3JQF NAP 4.60526
34 4CLR NAP 4.60526
35 4PXD 1AL 5.26316
36 6FL8 ADP 5.26316
37 6FL8 TIY 5.26316
38 4IEE AGS 5.26316
39 4MIG G3F 5.92105
40 1OAA OAA 5.92105
41 1DDU DDU 5.92105
42 4OOP DUP 5.92105
43 3HQP OXL 5.92105
44 4FC7 NAP 5.92105
45 4FC7 COA 5.92105
46 3TN7 NJP 5.92105
47 2A9W UMP 5.92105
48 2EWM NAD 5.92105
49 5CSS G3P 5.92105
50 1TSD UMP 5.92105
51 1M7G ADX 5.92105
52 1M7G ADP 5.92105
53 4MOP 2H5 6.57895
54 5XGX DAS DLY 6.57895
55 3NC9 TR3 6.57895
56 2Q0L FAD 6.57895
57 6GAR FAD 6.57895
58 3RFV NAI 6.57895
59 4XPQ FUL 7.23684
60 1ZEM NAD 7.23684
61 5WUW NAP 7.23684
62 4IWN GEK 8.55263
63 3TTI KBI 8.55263
64 3FUR Z12 9.21053
65 2NPX FAD 9.21053
66 1PS9 FMN 9.21053
67 4Z5W TYS ILE TYS THR GLN 10.5263
68 5HDJ FMN 11.1842
69 4J1Q NDP 11.8421
70 3LXK MI1 11.8421
71 3P48 DUP 12.2449
72 3TMK T5A 13.8158
73 3OID NDP 13.8158
74 5LXT GDP 13.986
75 5L2R MLA 14.4737
76 3O26 NDP 15.1316
77 2RH4 EMO 16.4474
78 5H68 AGS 22.3684
Pocket No.: 3; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 100
This union binding pocket(no: 3) in the query (biounit: 4jls.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3GGO NAI 1.31579
2 1KNY APC 1.31579
3 2WYV NAD 1.97368
4 3E3U NVC 1.97368
5 1CZR FMN 2.63158
6 1VD3 U2P 3.28947
7 1I7L ATP 3.28947
8 4I4Z 2NE 3.28947
9 5USZ SKE 3.28947
10 1D4O NAP 3.28947
11 3LXD FAD 3.94737
12 1Z2P ACP 3.94737
13 1Z2P I3S 3.94737
14 6GIN IR2 3.94737
15 1GTE IUR 3.94737
16 1GTE FMN 3.94737
17 3ICC NAP 3.94737
18 5NMX FAD 3.94737
19 3SJ7 NDP 3.94737
20 1YQC GLV 3.94737
21 3TII ANP 4.60526
22 3O03 NAP 4.60526
23 3NJ4 NAD 4.60526
24 3C0G 3AM 4.60526
25 5JDC NAP 4.60526
26 3BMQ NAP 4.60526
27 1H9A NAP 4.60526
28 3JQA NAP 4.60526
29 3BMO NAP 4.60526
30 4CM9 NAP 4.60526
31 4CM8 NAP 4.60526
32 5K6A NAP 4.60526
33 4CMI NAP 4.60526
34 3NTA FAD 5.26316
35 3CGB FAD 5.26316
36 3GFB NAD 5.26316
37 1A59 COA 5.26316
38 1MGP PLM 5.26316
39 4XVX P6G FDA 5.39846
40 4XVX P33 FDA 5.39846
41 3VPD ANP 5.92105
42 2I0K FAD 5.92105
43 6H3O FAD 5.92105
44 3TKI S25 5.92105
45 6GAS FAD 5.92105
46 2XTS MTE 5.92105
47 3NKS FAD 5.92105
48 5DOZ NDP 5.92105
49 2RHO GSP 5.92105
50 1KRR ACO 5.92105
51 1ZSQ PIB 5.92105
52 2VVM FAD 6.57895
53 5JWC FAD 6.57895
54 3QDW A2G 6.99301
55 3QDV A2G 6.99301
56 3FC4 EDO 7.23684
57 5N0J FAD 7.23684
58 2HK9 ATR 7.23684
59 3ICS FAD 7.23684
60 5U19 827 7.23684
61 5U19 SAH 7.23684
62 4R84 CSF 7.23684
63 5YEC ATP 7.23684
64 1ICV FMN 7.89474
65 1YKI FMN 7.89474
66 1YKI NFZ 7.89474
67 1NY5 ADP 7.89474
68 2CHG ANP 7.89474
69 4GOX A3P 8.55263
70 5UIJ TYD 8.55263
71 1G60 SAM 8.55263
72 5Y6Q MCN 8.55263
73 5VLQ ANP 9.21053
74 5JFL NAD 9.21053
75 1YY5 FAD 9.21053
76 2WC1 FMN 9.21053
77 4YT4 FE9 10.5263
78 4KWI 1TJ 10.5263
79 5YRV 5AD 10.5263
80 4KWI NAP 10.5263
81 5TUF FAD 10.5263
82 3LZW FAD 11.1842
83 2DFV NAD 11.1842
84 2F3R G5P 11.1842
85 1OFD AKG 11.1842
86 1OFD FMN 11.1842
87 3VGL ANP 11.1842
88 4OOE NDP 11.1842
89 3MJY FMN 11.8421
90 3MJY IJZ 11.8421
91 3JSX FAD 11.8421
92 5G5G MCN 12.5
93 1N62 MCN 12.5
94 5JCA FAD 12.5
95 2FLI DX5 14.4737
96 4FWE FAD 15.7895
97 1RJ9 GCP 16.4474
98 1N46 PFA 19.7368
99 4J4H 1J1 32.8947
100 4U98 ACP 32.8947
Pocket No.: 4; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 412
This union binding pocket(no: 4) in the query (biounit: 4jls.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4N82 FMN None
2 4LHW GNP None
3 4U0W 16G None
4 5MW8 ATP None
5 3GJ0 GDP None
6 1Z2A GDP None
7 5NUL FMN None
8 2BME GNP None
9 4ZA2 NAD None
10 3NKV GNP 1.31579
11 1YZN GNP 1.31579
12 3SIG AR6 1.31579
13 1W4R TTP 1.31579
14 3RWO GDP 1.31579
15 2Y88 2ER 1.97368
16 1G6O ADP 1.97368
17 1R0X ATP 1.97368
18 1ICP FMN 1.97368
19 1JI0 ATP 1.97368
20 1V8K ANP 1.97368
21 2Y65 ADP 1.97368
22 1GOJ ADP 2.63158
23 2VVG ADP 2.63158
24 3NW7 LGV 2.63158
25 3DEF GDP 2.63158
26 2AWN ADP 3.28947
27 4TTQ ATP 3.28947
28 5JIY SAM 3.28947
29 2CSN CKI 3.28947
30 5WNL STU 3.28947
31 2CE7 ADP 3.28947
32 5LTJ ADP 3.28947
33 1ZCB GDP 3.28947
34 4NVQ 2OD 3.28947
35 5T0K SAM 3.28947
36 1R4A GNP 3.28947
37 2D2F ADP 3.28947
38 2ZEJ GDP 3.28947
39 1Z08 GNP 3.28947
40 5EE5 GTP 3.28947
41 1UPT GTP 3.28947
42 3EWA ANP 3.41615
43 3CH5 GDP 3.84615
44 4Q1A UDP 3.94737
45 4Q1A 2XZ 3.94737
46 4TL6 ANP 3.94737
47 2BEK ATP 3.94737
48 1Y63 ADP 3.94737
49 4OYA 1VE 3.94737
50 1IBR GNP 3.94737
51 3ITJ CIT 3.94737
52 2DXU BT5 3.94737
53 6A20 ADP 3.94737
54 1SVK ALF GDP 3.94737
55 1XKV ATP 3.94737
56 5UIV ADP 3.94737
57 2OM2 GDP 3.94737
58 4YZN 4K5 3.94737
59 4KVA GTP 3.94737
60 5N87 N66 3.94737
61 1BH2 GSP 3.94737
62 6FYV 3NG 3.94737
63 4R57 ACO 3.94737
64 1Y3A GDP 3.94737
65 2YAK OSV 3.94737
66 6A5K SAM 3.94737
67 1H74 ADP 3.94737
68 6B8B ADP 3.94737
69 3TNF GNP 3.94737
70 5XC5 GTP 3.94737
71 1XX6 ADP 3.94737
72 4IDN GNP 3.94737
73 2ZTS ADP 3.98406
74 6FSG FMN 4.08163
75 4QM7 GTP 4.09357
76 5ZBR ANP 4.26667
77 2J5V PCA 4.60526
78 3FJO FMN 4.60526
79 2Z7R STU 4.60526
80 2VZ6 FEF 4.60526
81 6BOX SAH 4.60526
82 3LRE ADP 4.60526
83 2ZPA ADP 4.60526
84 5HXI FAD 4.60526
85 5HXI 5HN 4.60526
86 6FYL 3NG 4.60526
87 3KAL HGS 4.60526
88 4ITM ATP 4.60526
89 6ES0 BW8 4.60526
90 1TQ4 GDP 4.60526
91 4GKV NAD 4.60526
92 3GMB FAD 4.60526
93 5UR0 NAD 4.60526
94 2GJ8 ALF GDP 4.60526
95 4NCN GTP 4.60526
96 1LVG ADP 4.60526
97 2Q8M AMP 4.60526
98 5VKT NAP 4.60526
99 1MR3 G3D 4.60526
100 4NON GDP 4.60526
101 3F6R FMN 4.72973
102 2ODE ALF GDP 4.96454
103 4ZNL BEF ADP 5.10949
104 2BIF SIN 5.26316
105 2QQ0 ADP 5.26316
106 2QQ0 TMP 5.26316
107 1OIX GDP 5.26316
108 2BIF ANP 5.26316
109 2XK9 XK9 5.26316
110 5JLB SAH 5.26316
111 2PEZ GGZ 5.26316
112 2PEZ DAT 5.26316
113 2OFW ADX 5.26316
114 4FMU 0UM 5.26316
115 5WRI A3P 5.26316
116 2MBR FAD 5.26316
117 1FNN ADP 5.26316
118 2MBR EPU 5.26316
119 2QQ0 THM 5.26316
120 2QQ0 ANP 5.26316
121 1IA9 ANP 5.26316
122 6CEN SAM 5.26316
123 1G6H ADP 5.26316
124 1NN5 ANP 5.26316
125 1NN5 2DT 5.26316
126 1RC0 KT5 5.26316
127 2IS6 ADP 5.26316
128 1WDT GTP 5.26316
129 6G28 AR6 5.26316
130 4HSE ADP 5.26316
131 3PCR GTP 5.26316
132 5WRJ A3P 5.26316
133 4ZKD GDP 5.26316
134 1XMV ADP 5.26316
135 1CKM GTP 5.26316
136 5BQ5 ADP BEF 5.26316
137 1NRJ GTP 5.26316
138 3WDM ADN 5.26316
139 1BO4 COA 5.26316
140 1OXV ANP 5.26316
141 5TSH ANP 5.26316
142 1J0X NAD 5.26316
143 1NJF ADP 5.26316
144 5TSH ADP 5.26316
145 3IGO ANP 5.26316
146 1AKV FMN 5.44218
147 1GXU 2HP 5.49451
148 3UIE ANP 5.92105
149 1UJ2 C5P 5.92105
150 1UJ2 ADP 5.92105
151 2WU6 DKI 5.92105
152 5XKT GNP 5.92105
153 1M7G AV2 5.92105
154 1X6V ADP 5.92105
155 1V35 NAI 5.92105
156 3QKT ANP 5.92105
157 2PZE ATP 5.92105
158 2Z3Y F2N 5.92105
159 2PUL ACP 5.92105
160 2XT3 ADP 5.92105
161 1WF3 GNP 5.92105
162 4D81 ADP 5.92105
163 3HU3 AGS 5.92105
164 3FYH ADP 5.92105
165 1F2U ATP 6.04027
166 3SBD GNP 6.57895
167 2GQT FAD 6.57895
168 4QMN DB8 6.57895
169 4NW6 2NS 6.57895
170 2VAP GDP 6.57895
171 1BG2 ADP 6.57895
172 5HR5 ADP 6.57895
173 5CK5 GDP 6.57895
174 6GAQ FMN 6.57895
175 5TO8 7FM 6.57895
176 2CBZ ATP 6.57895
177 6AU6 GDP 6.57895
178 2JLR ANP 6.57895
179 3ZFD ANP 6.57895
180 4BQS ADP 6.57895
181 4BQS K2Q 6.57895
182 4XFR CIT 6.57895
183 2WHX ADP 6.57895
184 2XAU ADP 6.57895
185 3DC4 ADP 6.57895
186 3CX8 GSP 6.57895
187 4WOV 3SM 6.57895
188 4TMZ GSP 6.57895
189 2XQQ SAC ARG GLY THR GLN THR GLU 6.74157
190 5BXQ GDP 7.08661
191 1JJ7 ADP 7.23684
192 4HI0 GDP 7.23684
193 2IXE ATP 7.23684
194 1D5C GDP 7.23684
195 5X40 ACP 7.23684
196 5SZH GNP 7.23684
197 5DEY 59T 7.23684
198 4QTB 38Z 7.23684
199 3FVQ ATP 7.23684
200 1W5F G2P 7.23684
201 4P5Z Q7M 7.23684
202 1KO8 6PG 7.23684
203 4U03 TLL 7.23684
204 2WOE AR6 7.23684
205 1KAO GDP 7.23684
206 4V0K GDP 7.23684
207 3T34 GDP 7.23684
208 4HEQ FMN 7.53425
209 5VEG FMN 7.89474
210 4CRL C1I 7.89474
211 1F5N GNP 7.89474
212 3E7O 35F 7.89474
213 2B8W ALF 5GP 7.89474
214 1H65 GDP 7.89474
215 2XTN GTP 7.89474
216 1B0U ATP 7.89474
217 3HBF MYC 7.89474
218 5XDR ADP 7.89474
219 1S7N COA 7.89474
220 5DH3 5BS 7.89474
221 1M2O GNP 7.89474
222 2QTV GNP 7.89474
223 1WA5 GTP 8.55263
224 4GBM A3P 8.55263
225 5DI9 GNP 8.55263
226 5UWI GNP 8.55263
227 5UWT GNP 8.55263
228 5UWW GNP 8.55263
229 5UWJ GNP 8.55263
230 5UWU GNP 8.55263
231 5DHF GNP 8.55263
232 5DIF GNP 8.55263
233 6CIT GNP 8.55263
234 5UWO GNP 8.55263
235 4WNP 3RJ 8.55263
236 5UWR GNP 8.55263
237 5UWS GNP 8.55263
238 5UWQ GNP 8.55263
239 5UWH GNP 8.55263
240 4HAT GNP 8.55263
241 4PYA 2X3 8.55263
242 1E96 GTP 8.55263
243 4LO6 SIA GAL 8.55263
244 1E5D FMN 8.55263
245 3BOS CDP 8.55263
246 5IFS ADP 8.55263
247 1M7B GTP 8.55263
248 3ZL8 ADP 8.55263
249 2HF9 GSP 8.55263
250 3C5E ATP 9.21053
251 4ZUL UN1 9.21053
252 5XVG 8FX 9.21053
253 3ZIA ATP 9.21053
254 1YQT ADP 9.21053
255 2KIN ADP 9.21053
256 3ZIA ADP 9.21053
257 1GP2 GDP 9.21053
258 5YV5 ADP 9.21053
259 4H3Q ANP 9.21053
260 6CRK GDP 9.21053
261 1GOT GDP 9.21053
262 5KDO GDP 9.21053
263 1HTW ADP 9.21053
264 2JLD AG1 9.21053
265 4H3P ANP 9.21053
266 4DXD 9PC 9.21053
267 3DOE GTP 9.21053
268 5UPK GNP 9.21053
269 1FQJ GDP 9.52381
270 1FQK GDP 9.52381
271 1RM0 D6P 9.86842
272 6FAA ADP 9.86842
273 1U0J ADP 9.86842
274 4X8O AP5 9.86842
275 5WC2 ADP 9.86842
276 4NJH 2K8 9.86842
277 5X8I SQZ 9.86842
278 4NJH SAM 9.86842
279 5IRN ADP 9.86842
280 5TA6 79D 9.86842
281 3B5J 12D 9.86842
282 2EFE GNH 9.86842
283 4U00 ADP 10.5263
284 1IN4 ADP 10.5263
285 5JZJ AN2 10.5263
286 3T12 GDP ALF 10.5263
287 3WYF GTP 11.1842
288 3A4M ADP 11.1842
289 1VHT BA3 11.1842
290 3M1I GTP 11.1842
291 4KFU ACP 11.1842
292 4KS7 X4Z 11.1842
293 1YQD NAP 11.1842
294 1XEX ATP 11.1842
295 3KTA AP5 11.1842
296 2C9O ADP 11.8421
297 5WS9 OXL 11.8421
298 1T5C ADP 11.8421
299 1K6M AGS 11.8421
300 5ZB0 ADP 11.8421
301 5ZB0 TYD 11.8421
302 3HNA SAH 11.8421
303 2RFI SAH 11.8421
304 1BVY FMN 11.8421
305 1E3I CXF 11.8421
306 3SWC SAH 11.8421
307 5Z2M GTP 11.8421
308 4BMO FMN 11.8421
309 6BR7 BEF 12.0301
310 3KAP FMN 12.2449
311 4N14 WR7 12.5
312 5XWV 8H6 12.5
313 5XWV NDP 12.5
314 3AB3 GDP 12.5
315 1SQ5 ADP 12.5
316 4NE2 SH2 12.5
317 4NE2 ADP 12.5
318 4WNK 453 12.5
319 2V7Q ATP 12.5
320 6A1G 9OL 12.5
321 5WDR GNP 12.8655
322 1Z0K GTP 13.0435
323 4PPF FLC 13.1579
324 3KC1 2T6 13.1579
325 2ZR9 DTP 13.1579
326 5WO4 B7V 13.1579
327 3BC1 GNP 13.1579
328 3GJX GTP 13.8158
329 4FUT ATP 13.8158
330 4GXQ ATP 13.8158
331 4OJ8 2TQ 13.8158
332 4OJ8 AKG 13.8158
333 3SWG EPZ 13.8158
334 1UAD GNP 14.4737
335 1ZC3 GNP 14.4737
336 2OG2 MLI 14.4737
337 1HSK FAD 14.4737
338 1R6B ADP 14.4737
339 1SVM ATP 14.4737
340 3GJ7 GDP 14.4737
341 3GJ5 GDP 14.4737
342 3GJ8 GDP 14.4737
343 3B9Q MLI 14.4737
344 3GJ4 GDP 14.4737
345 2BES RES 15.1316
346 4CVN ADP 15.1316
347 4WZ6 ATP 15.1316
348 5OCG GNP 15.7895
349 2FNA ADP 15.7895
350 4YMU ATP 16.4474
351 1ZD9 GDP 16.4474
352 5FTB ANP 17.1053
353 4K81 GTP 17.1053
354 5FHD ADP ALF 17.1053
355 2UZI GTP 17.1053
356 5O2T GSP 17.1053
357 6B4K ANP 17.1053
358 2C5L GTP 17.1053
359 2Y8E GNP 17.1053
360 1ZUI SKM 17.1053
361 5WLB GNP 17.1053
362 5UQW GDP 17.1053
363 4FF8 14S 17.1053
364 3EC1 GDP 17.1053
365 5LEF GTP 17.7632
366 1YZQ GNP 17.7632
367 4H1V GNP 17.7632
368 1T3Q MCN 17.7632
369 2FFQ GSP 17.7632
370 1P9B IMO 17.7632
371 2W58 ADP 18.4211
372 3COB ADP 18.4211
373 3H4S ADP 18.4211
374 4FRZ ADP 18.4211
375 4P4T GDP 18.4211
376 2WJG GDP 18.4211
377 1Y57 MPZ 19.0789
378 2H8H H8H 19.0789
379 2OHH FMN 19.7368
380 6GWR FEW 19.7368
381 3RLF ANP 21.0526
382 2R75 01G 22.3684
383 2GK6 ADP 23.0263
384 4KVG GTP 25
385 6FA4 GNP 25.4335
386 2QTR NXX 25.6579
387 6BVJ GNP 26.3473
388 1LFD GNP 26.3473
389 3DDC GNP 26.506
390 1WQ1 GDP 26.506
391 6D5H GNP 26.9461
392 6D56 GNP 26.9461
393 6BVM GNP 26.9461
394 6D5L GNP 26.9461
395 6D5G GNP 26.9461
396 6BVL GNP 26.9461
397 6D5J GNP 26.9461
398 6D59 GNP 26.9461
399 6BVI GNP 26.9461
400 6D5M GNP 26.9461
401 6D5E GNP 26.9461
402 6BVK GNP 26.9461
403 6D55 GNP 26.9461
404 6D5V GNP 26.9461
405 5Y6N ADP 26.9737
406 1NVV GNP 27.1084
407 3QF7 ANP 28
408 1GUA GNP 29.6053
409 4HDO GNP 29.6053
410 3X1Z GNP 29.6053
411 4HDQ GNP 29.6053
412 4USF 6UI 30.9211
Pocket No.: 5; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 45
This union binding pocket(no: 5) in the query (biounit: 4jls.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6G96 ACO 1.97368
2 2Q2Y ADP 2.63158
3 3EKK GS2 2.63158
4 3OII SAH 2.63158
5 2FR6 CTN 2.73973
6 4U63 FAD 3.28947
7 1VLJ NAP 3.28947
8 3H8V ATP 3.28947
9 1NFQ NAI 3.28947
10 2NZ2 ASP 3.28947
11 4R2M ANP 3.94737
12 2FR1 NDP 3.94737
13 5JBX COA 3.94737
14 1JXZ BCA 4.60526
15 1QRD FAD 4.60526
16 2I8T GDD 4.60526
17 5OVK NDP 4.60526
18 5YB7 ORN 5.26316
19 5YB7 FAD 5.26316
20 1U3D FAD 5.26316
21 2D7C GTP 5.26316
22 5N5S NAP 5.26316
23 2HV8 GTP 5.26316
24 4PHR UDP 5.26316
25 2II3 CAO 5.26316
26 2YVF FAD 5.92105
27 1MXH DHF 5.92105
28 1MXH NAP 5.92105
29 2X3F APC 7.23684
30 5OD2 5ID 7.23684
31 4RKX 3S9 7.89474
32 1GEE NAD 8.55263
33 4XIZ LPP 8.55263
34 5AZC PGT 9.21053
35 3KFL ME8 9.21053
36 2ZE7 DST 9.86842
37 2QBU SAH 11.1842
38 6F7L FAD 11.8421
39 4C4P GNP 12.1495
40 2VSS ACO 12.5
41 2VSU ACO 12.5
42 4WAS COO 15.1316
43 1Q8Y ADP 15.7895
44 3A7R LAQ 20.3947
45 5EIB GTP 21.7391
Pocket No.: 6; Query (leader) PDB : 4JLS; Ligand: 3ZE; Similar sites found with APoc: 97
This union binding pocket(no: 6) in the query (biounit: 4jls.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3VBK COA None
2 2RIF AMP None
3 2ZFZ ARG None
4 3CBG SAH 1.97368
5 3WYJ H78 2.63158
6 4LTN NAI 2.63158
7 3CIF G3H 2.63158
8 4MZQ 1VU 2.77778
9 5GSN NAP 3.28947
10 5GSN MMZ 3.28947
11 3E1T FAD 3.28947
12 4UOX PUT 3.28947
13 5KKA 6V0 3.28947
14 4UOX PLP PUT 3.28947
15 6CBN OZY 3.28947
16 1V59 FAD 3.28947
17 4Q9N NAI 3.28947
18 4YRY NAD 3.94737
19 2GMH FAD 3.94737
20 5NII FAD 3.94737
21 4ITU 1HS 3.94737
22 4ONC 40B 3.94737
23 1REO FAD 3.94737
24 2DKH 3HB 3.94737
25 4ONQ SFG 3.94737
26 1H82 FAD 4.60526
27 1RLZ NAD 4.60526
28 3QWI CUE 4.60526
29 1NZY BCA 4.60526
30 3QWI NAP 4.60526
31 5TS5 FAD 4.60526
32 2H29 DND 4.60526
33 5L0S UDP 4.60526
34 6BA2 7KM 4.60526
35 2WD7 VGD 4.60526
36 5A04 NDP 4.60526
37 3CGD NAD 5.26316
38 3QVP FAD 5.26316
39 5YAP NAI 5.26316
40 1G51 AMO 5.26316
41 2WET FAD 5.26316
42 2QV6 GTP 5.26316
43 5MIT NAP 5.92105
44 5MIT FAD 5.92105
45 4YSX FAD 5.92105
46 5OC1 FAD 5.92105
47 5GQX GLC GLC GLC GLC GLC GLC GLC 5.92105
48 5CG1 NAD BBN 5.92105
49 2V3V MGD 6.57895
50 5JCM FAD 6.57895
51 5JCM NAD 6.57895
52 5TWB FAD 6.57895
53 4YAG NAI 6.57895
54 2BNE U5P 6.57895
55 4ZCC FAD 6.57895
56 3QDY A2G GAL 6.99301
57 1GPE FAD 7.23684
58 1QO8 FAD 7.23684
59 3TE4 ACO 7.23684
60 4K5S FAD 7.23684
61 6CBO DOW 7.23684
62 3QCJ NX4 7.23684
63 3V4S ATP 7.23684
64 2PVN P63 7.23684
65 2Q7V FAD 7.89474
66 1KOL NAD 7.89474
67 5WP4 SAH 7.89474
68 1EQ2 NAP 7.89474
69 4EDF UPG