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Receptor
PDB id Resolution Class Description Source Keywords
4LH6 1.65 Å EC: 6.5.1.2 CRYSTAL STRUCTURE OF A LIGA INHIBITOR ENTEROCOCCUS FAECALIS PROTEIN-INHIBITOR COMPLEX LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION THROUGH STRUCTURE-BASED METHODS OF A BACTERIAL NAD(+)-DEPENDENT DNA LIGASE INHIBITOR THA KNOWN RESISTANCE MUTATIONS. BIOORG.MED.CHEM.LETT. V. 24 360 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1X7 A:401;
Valid;
none;
ic50 = 77 uM
272.122 C8 H6 Br N3 O S c1c2c...
NA A:405;
A:404;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NMN A:402;
Valid;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
ACT A:403;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LH7 1.9 Å EC: 6.5.1.2 CRYSTAL STRUCTURE OF A LIGA INHIBITOR ENTEROCOCCUS FAECALIS PROTEIN-INHIBITOR COMPLEX LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION THROUGH STRUCTURE-BASED METHODS OF A BACTERIAL NAD(+)-DEPENDENT DNA LIGASE INHIBITOR THA KNOWN RESISTANCE MUTATIONS. BIOORG.MED.CHEM.LETT. V. 24 360 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1TA8 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 4LH7 ic50 = 34 uM 1X8 C9 H8 N4 O2 S c1c2c(c(cn....
3 4LH6 ic50 = 77 uM 1X7 C8 H6 Br N3 O S c1c2c(c(cn....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1TA8 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 4LH7 ic50 = 34 uM 1X8 C9 H8 N4 O2 S c1c2c(c(cn....
3 4LH6 ic50 = 77 uM 1X7 C8 H6 Br N3 O S c1c2c(c(cn....
4 5FPO - 10L C7 H7 N3 c1cc2cn[nH....
5 5FPR - LGA C4 H5 N3 c1cnc(nc1)....
6 4CC6 ic50 = 0.23 uM L5Y C14 H12 F3 N5 O c1cncc2c1c....
7 4CC5 Kd = 38 uM L5V C6 H4 Cl N5 c1c(nc(cn1....
8 4GLW Kd = 0.8 uM 0XT C8 H10 N6 O Cc1c(nc2c(....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TA8 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 4LH7 ic50 = 34 uM 1X8 C9 H8 N4 O2 S c1c2c(c(cn....
3 4LH6 ic50 = 77 uM 1X7 C8 H6 Br N3 O S c1c2c(c(cn....
4 5FPO - 10L C7 H7 N3 c1cc2cn[nH....
5 5FPR - LGA C4 H5 N3 c1cnc(nc1)....
6 4CC6 ic50 = 0.23 uM L5Y C14 H12 F3 N5 O c1cncc2c1c....
7 4CC5 Kd = 38 uM L5V C6 H4 Cl N5 c1c(nc(cn1....
8 4GLW Kd = 0.8 uM 0XT C8 H10 N6 O Cc1c(nc2c(....
9 3PN1 ic50 = 0.507 uM IVH C14 H21 N5 O4 S CCCCSc1nc(....
10 4UFZ - IWH C15 H16 N2 O2 Cc1ccc(c(c....
11 3UQ8 Kd = 45 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1X7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1X7 1 1
2 1X8 0.6 0.863636
Ligand no: 2; Ligand: NMN; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NMN 1 1
2 NNR 0.693548 0.818182
3 NCN 0.647887 0.892308
4 8ID 0.524752 0.807692
5 NGD 0.514563 0.831169
6 NHD 0.509434 0.875
7 NAD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NDO 0.491071 0.888889
10 NAP 0.486726 0.888889
11 NFD 0.486239 0.828947
12 NBP 0.465517 0.831169
13 DND 0.461538 0.851351
14 NXX 0.461538 0.851351
15 A3D 0.421053 0.863014
16 N01 0.417391 0.849315
17 AMP NAD 0.415929 0.849315
18 CH 0.407407 0.849315
19 NA0 0.404959 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LH7; Ligand: 1X8; Similar sites found with APoc: 531
This union binding pocket(no: 1) in the query (biounit: 4lh7.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3ALN ANP 1.23839
2 6BXI ANP 1.23839
3 3HZT J60 1.23839
4 3GLC R5P 1.35593
5 5N2D 8J8 1.38889
6 5M06 ADP 1.44928
7 6G34 5ID 1.54799
8 4JR7 GNP 1.54799
9 1CM8 ANP 1.54799
10 5EKO N17 1.54799
11 1ST0 GTG 1.54799
12 4K39 SAM 1.54799
13 1XJD STU 1.54799
14 4OAV ACP 1.54799
15 4K38 SAM 1.54799
16 4K37 SAM 1.54799
17 6GKV SAH 1.54799
18 4NW6 2NS 1.54799
19 4ZS4 ATP 1.62866
20 1IR3 ANP 1.63399
21 3GGF GVD 1.66113
22 2CB3 MLD 1.71429
23 1Z2P I3S 1.85759
24 1Z2P ACP 1.85759
25 4UAL 3FV 1.85759
26 5I35 ANP 1.85759
27 4YZC STU 1.85759
28 2F2U M77 1.85759
29 1SJD NPG 1.85759
30 4IJP 1EH 1.85759
31 1U2Z SAH 1.85759
32 3V8S 0HD 1.85759
33 3KO8 NAD 1.92308
34 1I7L ATP 1.94175
35 2R3A SAM 2
36 1PHK ATP 2.01342
37 5MY8 RXZ 2.16718
38 4OCJ NDG 2.16718
39 1Q8Y ADE 2.16718
40 3GC8 B45 2.16718
41 2WU6 DKI 2.16718
42 1U5R ATP 2.16718
43 3C1X CKK 2.16718
44 4UUW AMP 2.16718
45 4BTK DTQ 2.16718
46 5X8I SQZ 2.16718
47 4CTA ATP 2.16718
48 4CYI ATP 2.16718
49 1Q8Y ADP 2.16718
50 2YRX AMP 2.16718
51 3VSV XYS 2.16718
52 5WP5 SAH 2.16718
53 3LXN MI1 2.20126
54 5E9W SAH 2.24359
55 1AUX AGS 2.2508
56 1W2D ADP 2.26415
57 1W2D 4IP 2.26415
58 4NFN 2KC 2.26537
59 5HES 032 2.28013
60 3NW7 LGV 2.28013
61 1ZY5 ANP 2.31023
62 6CI9 NAP 2.3166
63 1K3A ACP 2.34114
64 2P3V SRT 2.34375
65 1PK8 ATP 2.36967
66 3O7W SAM 2.38095
67 4E1Z 0MX 2.4055
68 5EXK 5AD 2.41692
69 1U59 STU 2.43902
70 4YZN 4K5 2.43902
71 4IPH 1FJ 2.43902
72 4I5I 4I5 2.43902
73 4I5I NAD 2.43902
74 2I7C AAT 2.4735
75 3W0O ADP 2.47678
76 3W0O HY0 2.47678
77 1EHI ADP 2.47678
78 5C03 AGS 2.47678
79 5LI1 ANP 2.47678
80 4DC2 ADE 2.47678
81 5LI9 ACP 2.47678
82 2QK4 ATP 2.47678
83 5ERR ADP 2.47678
84 6AC9 ANP 2.47678
85 4KQI RBZ 2.47678
86 5IM3 DTP 2.47678
87 4UXL 5P8 2.48447
88 4WOV 3SM 2.52366
89 5JGA 6KC 2.53968
90 5DH3 5BS 2.53968
91 3RI1 3RH 2.55591
92 4IWN GEK 2.62009
93 6CGD GNP 2.62295
94 6CGD AKN 2.62295
95 2CNE DFJ 2.63158
96 4I94 ANP 2.66667
97 2R5T ANP 2.68097
98 6CQF F97 2.6936
99 3MQ2 SAH 2.75229
100 3DNT ATP 2.78638
101 2PVN P63 2.78638
102 3VOT ADP 2.78638
103 3TPV ADE 2.78638
104 1CKN GTP 2.78638
105 6EZ6 C5Z 2.78638
106 6C1S EFV 2.78638
107 4PNI KQQ 2.78638
108 6A1G 9OL 2.78638
109 6A5K SAM 2.78638
110 3FHI ANP 2.78638
111 1CKM GTP 2.78638
112 5JAQ NAI 2.78638
113 2PZI AXX 2.78638
114 4L9I 8PR 2.78638
115 3FC2 IBI 2.78638
116 5AE9 OKO 2.78638
117 5TA6 79D 2.78638
118 3H5N ATP 2.78638
119 1RJD SAM 2.78638
120 5QIN J2V 2.8481
121 1IA9 ANP 2.85714
122 3AQV TAK 2.89855
123 1OBD ATP 2.94118
124 5MJA 7O3 2.95082
125 3FUU ADN 2.95203
126 3RET SAL 2.9703
127 3RET PYR 2.9703
128 1RPN GDP 2.98507
129 4AT3 LTI 3.01003
130 2BKK ADP 3.0303
131 5GM1 SAH 3.0303
132 3TM0 B31 3.04183
133 3TM0 ANP 3.04183
134 3GRU AMP 3.05085
135 5ZTN CUR 3.09598
136 3HMO STU 3.09598
137 4CLI 5P8 3.09598
138 1KJ8 GAR 3.09598
139 1KJ8 ATP 3.09598
140 5DZT AMP 3.09598
141 4G17 0VN 3.09598
142 6BFN DL1 3.09598
143 2VQD AP2 3.09598
144 5Y0T TAT 3.09598
145 3KRL KRL 3.09598
146 3LOO B4P 3.09598
147 1Q9I TEO 3.09598
148 1Q9I FAD 3.09598
149 5TUF FAD 3.09598
150 5TUF TDC 3.09598
151 1TKK ALA GLU 3.09598
152 1N7G GDR 3.09598
153 5B48 TDN 3.09598
154 4TTS 6DD 3.14465
155 4C2V YJA 3.15789
156 1GSA ADP 3.16456
157 5N87 N66 3.19489
158 3JWH SAH 3.22581
159 4C5N PXL 3.26087
160 1EIX BMQ 3.26531
161 1IOW PHY 3.26797
162 1IOW ADP 3.26797
163 5K2M ADP 3.2967
164 3SXS PP2 3.35821
165 5V22 SAH 3.367
166 5JZJ AN2 3.367
167 4IX4 ADP 3.40557
168 5BVE 4VG 3.40557
169 4H3Q ANP 3.40557
170 4H3P ANP 3.40557
171 3DLS ADP 3.40557
172 2QF7 AGS 3.40557
173 4XH0 ADP 3.40557
174 4O1P ANP 3.40557
175 2PYW ADP 3.40557
176 5WP4 SAH 3.40557
177 1KY8 NAP 3.40557
178 3I0O ADP 3.40557
179 3GQI ACP 3.40557
180 5CKW ANP 3.40557
181 1M2W NAD 3.40557
182 5Y0N ATP 3.40557
183 6FUL E7Z 3.40557
184 2A19 ANP 3.42857
185 4R6W PC 3.48837
186 4XBA 5GP 3.5
187 4XBA GMP 3.5
188 2X2M X2M 3.50318
189 4EN4 ATP 3.52564
190 4EN4 GT1 3.52564
191 4EN4 GT0 3.52564
192 4RDL FUC GAL NDG FUC 3.57143
193 5JLB SAH 3.58423
194 4FMU 0UM 3.59712
195 1XDN ATP 3.61011
196 1S68 AMP 3.61446
197 4Z4P SAH 3.61446
198 5O1I 9GH 3.65297
199 3HAV ATP 3.67893
200 2R7K ACP 3.71517
201 2R7K AMZ 3.71517
202 4OCV ANP 3.71517
203 2YW2 ATP 3.71517
204 4U44 3D9 3.71517
205 4U98 ACP 3.71517
206 5WNL STU 3.71517
207 2JLD AG1 3.71517
208 3F7Z 34O 3.71517
209 4Y93 746 3.71517
210 1RE8 BD2 3.71517
211 4WB6 ATP 3.71517
212 3VRY B43 3.71517
213 2QCS ANP 3.71517
214 2V58 LZJ 3.71517
215 1O9U ADZ 3.71517
216 2YAB AMP 3.71517
217 5YF9 NIO 3.71517
218 3S6X SIA GAL BGC 3.71517
219 4WB7 ATP 3.71517
220 4PQG UDP 3.71517
221 5FUB SAH 3.71517
222 2EFJ SAH 3.71517
223 3K5I AIR 3.71517
224 3K5I ADP 3.71517
225 6CMJ F6J 3.73832
226 6ECT SAM 3.73832
227 4XV1 904 3.76712
228 3DAK ANP 3.7931
229 6ECU SAH 3.79747
230 2EV9 SKM 3.80228
231 2EV9 NAP 3.80228
232 5U6C 7YS 3.80952
233 4X7Q 3YR 3.84615
234 1H2T GDP 7MG 3.84615
235 5EH0 5NW 3.87597
236 3RE4 TO1 3.87597
237 5A6N U7E 3.88693
238 5AVF TAU 3.89105
239 5AX9 4KT 3.8961
240 5ZCT ANP 3.92157
241 4EWN 0VR 3.95257
242 4YNM SAM 3.9823
243 5CEO 50D 4
244 4Y0X ADP 4.02477
245 4PU5 ANP 4.02477
246 3PP0 03Q 4.02477
247 5TDF ADP 4.02477
248 1E4E ADP 4.02477
249 5A3T MMK 4.02477
250 3GC0 AMP 4.02477
251 1WVG APR 4.02477
252 5IH9 6BF 4.02477
253 5OES ADP 4.02477
254 6C8R SAH 4.02477
255 1WVG CXY 4.02477
256 5KK4 44E 4.16667
257 2YAK OSV 4.21053
258 4I6H 1C8 4.22078
259 3ETH ATP 4.22535
260 2DXU BT5 4.25532
261 4CQK PIO 4.25532
262 3VPD ANP 4.27046
263 3V4S ATP 4.33437
264 5Y86 HRM 4.33437
265 1OPK P16 4.33437
266 3WVR AMP 4.33437
267 5EFQ ADP 4.33437
268 4NST ADP 4.33437
269 3V4S ADP 4.33437
270 5EQY 5RA 4.33437
271 4PZ6 GMP 4.33437
272 3C0G 3AM 4.33437
273 3PE2 E1B 4.33437
274 5DNK SAH 4.33437
275 4IDT T28 4.33437
276 5OMY 9YE 4.33437
277 2FSH ANP 4.33437
278 2ZBA COA 4.33437
279 2IHK CSF 4.33437
280 3G5S FAD 4.33437
281 4BG4 ADP 4.33437
282 3M2W L8I 4.34783
283 5A5W GUO 4.34783
284 2ZV2 609 4.36242
285 1U7Z PMT 4.42478
286 2CJF RP4 4.4586
287 5XDT ZI7 4.54545
288 4AUA 4AU 4.56026
289 5FM0 WAQ 4.61538
290 4GJ3 0XP 4.63576
291 2CFM AMP 4.64396
292 3ORQ ADP 4.64396
293 3H9R TAK 4.64396
294 5MW8 ATP 4.64396
295 3UA1 08Y 4.64396
296 1XMV ADP 4.64396
297 4OAG ADP 4.64396
298 4ZDJ UTP 4.64396
299 5WA9 9ZD 4.65116
300 5C4L 4XR 4.6729
301 5C4L SIS 4.6729
302 3O0G 3O0 4.69799
303 4LRJ ANP 4.73373
304 6GU6 1QK 4.7619
305 5HQ0 LZ9 4.7619
306 1AV5 AP2 4.7619
307 4M69 ANP 4.79233
308 3FW3 GLC 4.88722
309 1IM8 SAI 4.91803
310 6GZD LCI 4.95356
311 5LPZ ADP 4.95356
312 4OH4 ANP 4.95356
313 2B9F ADP 4.95356
314 2B9H ADP 4.95356
315 2B9I ADP 4.95356
316 2B9J ADP 4.95356
317 2VVM FAD 4.95356
318 2VVL FAD 4.95356
319 6GIN IR2 4.98339
320 1ZX5 LFR 5
321 6ES0 BW8 5.04732
322 5EYK 5U5 5.08475
323 3W2E FAD 5.16605
324 3W2E NAD 5.16605
325 5RHN 8BR 5.21739
326 2HGS ADP 5.26316
327 2V7O DRN 5.26316
328 3TII ANP 5.26316
329 3LXK MI1 5.26316
330 5T8O 76Z 5.26316
331 2Z7R STU 5.29595
332 3SBD GNP 5.34759
333 5VYR GMP 5.36398
334 5VYR B62 5.36398
335 1BYG STU 5.39568
336 5LPB ADP 5.40541
337 2VZ6 FEF 5.43131
338 3AKK ADP 5.57276
339 4DFU QUE 5.57276
340 5UIU 8CG 5.57276
341 6C0T EE4 5.57276
342 4KRI SAH 5.57276
343 2IF8 ADP 5.57276
344 3JYN NDP 5.57276
345 4YMJ 4EJ 5.59211
346 6GUE FB8 5.62914
347 5WO4 B7V 5.62914
348 4EUU BX7 5.64263
349 4BCQ TJF 5.64784
350 2VN9 GVD 5.64784
351 4BCM T7Z 5.64784
352 5ODT ADP 5.65371
353 4BCN T9N 5.66667
354 4BQS K2Q 5.68182
355 4N9I PCG 5.71429
356 2OFV 242 5.77617
357 1GS5 NLG 5.81395
358 1GS5 ANP 5.81395
359 5USZ SKE 5.88235
360 4FE2 ADP 5.88235
361 6FYV 3NG 5.88235
362 3TXO 07U 5.88235
363 5AB7 MLC 5.88235
364 5FWA J7C 5.88235
365 5VC5 96M 5.88235
366 2WQP WQP 5.88235
367 2GQR ADP 5.90717
368 6C7Y ADP 5.94406
369 1JG3 ADN 5.95745
370 3E5A VX6 5.97015
371 6EDK 1YA 5.99078
372 2WEL K88 6
373 3CY2 MB9 6.05096
374 2CSN CKI 6.06061
375 3AD8 NAD 6.06061
376 4NJH SAM 6.08696
377 4NJH 2K8 6.08696
378 6F3G CJN 6.1017
379 5VCV 1N1 6.10932
380 3SRV S19 6.13718
381 5JFS 6K0 6.16883
382 4IZY 1J2 6.19195
383 4N70 2HX 6.19195
384 4UX9 ANP 6.19195
385 5W4W 9WG 6.19195
386 3KAL ADP 6.19195
387 4E93 GUI 6.19195
388 3TTI KBI 6.19195
389 4Y8D 49J 6.19195
390 1BVY FMN 6.19195
391 5FI4 5XV 6.19195
392 5DXT 5H5 6.19195
393 4KBA 1QM 6.19195
394 3PTG 932 6.19195
395 1EWF PC1 6.19195
396 2QMC GTB 6.19195
397 5GZ9 ANP 6.22951
398 1K7L 544 6.25
399 3H0A D30 6.25
400 2GQS ADP 6.32911
401 2GQS C2R 6.32911
402 2Q7D ANP 6.35838
403 5OKT 9XK 6.36943
404 5Y80 IRE 6.38978
405 4WW7 AMP 6.41711
406 4NZN 2OU 6.50155
407 4NZN ANP 6.50155
408 5TT6 ATP 6.50155
409 3MVH WFE 6.50155
410 3GNI ATP 6.50155
411 3T7V SAM 6.50155
412 4WTV ATP 6.50155
413 2NP9 YE1 6.50155
414 4EJN 0R4 6.50155
415 4Y85 499 6.50155
416 1T36 ADP 6.81115
417 3E7O 35F 6.81115
418 2JDR L20 6.81115
419 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 6.81115
420 4AZW ATP 6.81115
421 3TY5 ADP 6.81115
422 3X01 AMP 6.81115
423 3TY5 ATP 6.81115
424 3LU1 NAD 6.81115
425 3KN5 ANP 6.81115
426 4CSV STI 6.90909
427 5HVJ ANP 6.98413
428 5LXT ACP 6.99301
429 5AWM ANP 7.12074
430 5X62 SAH 7.12074
431 3OCP CMP 7.19424
432 2UZH CDP 7.27273
433 6GWR FEW 7.30159
434 4TWP AXI 7.38007
435 3PLS ANP 7.38255
436 2WQN ADP 7.41935
437 4XYM A12 7.43034
438 1Y57 MPZ 7.43034
439 4XZ3 ACP 7.43034
440 4EUE NAI 7.43034
441 5C1P DAL DAL 7.51634
442 5C1P ADP 7.51634
443 1R4W GSH 7.52212
444 2WEI VGG 7.66551
445 4WNP 3RJ 7.66551
446 5FBN 5WF 7.74908
447 6E2B PT7 7.89474
448 3KDJ A8S 7.91139
449 4IEN GDP 7.97546
450 5UFN SAH 7.98319
451 2VPQ ANP 8.04954
452 5YK1 ANP 8.04954
453 4BFM ANP 8.04954
454 5VZ0 ADP 8.04954
455 5COU ATP 8.04954
456 3UDZ ADP 8.11359
457 2OO8 RAJ 8.20189
458 5BW4 SAM 8.2397
459 3FWN 6PG 8.35913
460 3FWN ATR 8.35913
461 2XOC ADP 8.42912
462 4INI AMP 8.46154
463 6FL8 TIY 8.51064
464 6FL8 ADP 8.51064
465 1FHX 4IP 8.52713
466 3RFV NAI 8.61423
467 3RFV 15L 8.61423
468 3FHR P4O 8.66873
469 2DKH FAD 8.66873
470 4WAS COO 8.97833
471 1N9G NAP 8.97833
472 3ZS7 ATP 9
473 3TKI S25 9.28793
474 8CAT NDP 9.28793
475 3KMW ATP 9.30233
476 2HY0 306 9.31677
477 3VPB ADP 9.57447
478 3VPC ADP 9.57447
479 4UWH JXM 9.59752
480 4JGP PYR 9.67742
481 2ZFU SAH 9.76744
482 3LCC SAH 9.78723
483 4BHN BH9 9.90712
484 4MV1 ADP 9.90712
485 3AB1 FAD 9.90712
486 5N9T 8QQ 9.90712
487 3IDB ANP 9.93789
488 4IJ6 SEP 9.95261
489 4USF 6UI 10.1974
490 3DGY 2GP 10.3093
491 5DBX ANP 10.5263
492 4RVU NDP 10.5263
493 3VC1 SAH 10.5769
494 3VC1 GST 10.5769
495 4ZGP ADP 10.5802
496 3B4Y F42 10.8359
497 6E2O S0L 10.8475
498 3LXR GDP 10.9375
499 4QTB 38Z 11.1455
500 4O4F IHP 11.2903
501 4O4F ATP 11.2903
502 2PUL ACP 11.4551
503 5EPL 5R0 PHE ALA LEU ELY 5R5 11.6667
504 1Q2C COA 11.7284
505 4FG8 ATP 11.746
506 2Q4H AMP 11.7647
507 4Q5H ANP 11.8421
508 3UIM ANP 12.0743
509 5NBW 8SK 12.1495
510 4R78 AMP 12.6214
511 2IO8 ADP 12.6935
512 5H2U 1N1 12.7341
513 6CZ3 FLJ 12.8788
514 1VLH PNS 13.2948
515 4GYI ADP 13.3127
516 3N1S 5GP 13.4454
517 2J9D ADP 13.4454
518 1YZX GSF 13.7168
519 4A4X JUP 14.3369
520 5UPK ANP 14.5833
521 4EZW ASN ARG LEU LEU LEU THR GLY 15.5251
522 1M0W ANP 15.7895
523 4F9C 0SX 15.9722
524 2V92 AMP 16.092
525 3SLS ANP 17.7632
526 3D78 NBB 19.3277
527 3ZRM ZRM 25
528 3WO0 ADP 26.935
529 3WO0 ALA 26.935
530 3BU5 ATP 33.3333
531 2PVF ACP 33.3333
Pocket No.: 2; Query (leader) PDB : 4LH7; Ligand: NMN; Similar sites found with APoc: 190
This union binding pocket(no: 2) in the query (biounit: 4lh7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 5MT9 ARG None
3 5NNT DPV None
4 4WG0 CHD None
5 4V1F BQ1 None
6 3BZ3 YAM 0.724638
7 3QQA TCH 1.38889
8 4QAR ADE 1.49254
9 1IG3 VIB 1.52091
10 1EE0 CAA 1.54799
11 4RW3 TDA 1.65563
12 4OIV XX9 1.76991
13 4IGH FMN 1.85759
14 4IGH 1EA 1.85759
15 4IGH ORO 1.85759
16 5LIA 6XN 1.85759
17 4DHY S41 1.85759
18 2QCX PF1 1.90114
19 3KP6 SAL 1.98676
20 2OZ5 7XY 2.02703
21 5G57 6M5 2.16718
22 1Q7E MET 2.16718
23 5IKH 6BW 2.16718
24 6MVU K4V 2.16718
25 5CX8 TG6 2.16718
26 4U63 FAD 2.16718
27 5A8E XTK 2.22222
28 2EXX NAP 2.28758
29 6CS8 F9Y 2.31023
30 2QZO KN1 2.32558
31 5AAV GW5 2.38095
32 3IE3 N11 2.39234
33 3IE3 GSH 2.39234
34 2FTB OLA 2.4
35 5V13 JH3 2.43056
36 3AJ6 NGA 2.44755
37 2HHP FLC 2.47678
38 4BR5 ANP 2.47678
39 2W5T GP9 2.47678
40 3QPB URA 2.48227
41 1V3S ATP 2.58621
42 2ZPT A3P 2.71186
43 5DRB 5FJ 2.74914
44 4GU5 FAD 2.78638
45 1O5R FR9 2.78638
46 1DNP FAD 2.78638
47 3DZD ADP 2.78638
48 1ATL 0QI 2.9703
49 3COW 52H 2.99003
50 5KJU 6TO 3.09598
51 4I6G FAD 3.09598
52 1OLT SAM 3.09598
53 4CFT H4B 3.09598
54 5U3B 7TD 3.34448
55 5EK3 5PK 3.40557
56 1KY8 NAP 3.40557
57 4MIG G3F 3.40557
58 3GWN FAD 3.50877
59 1YOK P6L 3.51562
60 4O8A FAD 3.63901
61 1ZDU P3A 3.67347
62 2GSU AMP 3.71517
63 5X1M DHB 3.71517
64 5X1M THG 3.71517
65 3G5N PB2 3.71517
66 1U3D FAD 3.71517
67 2BJK NAD 3.71517
68 2UW1 GVM 3.71517
69 3Q8G PEE 3.75
70 5VEO AMP 3.84615
71 1U1F 183 3.90625
72 5U97 PIT 4.02477
73 2J4D FAD 4.02477
74 6CGN DA 4.02477
75 6F5W KG1 4.02477
76 2IYA ZIO 4.02477
77 2GWH PCI 4.02685
78 1DRJ RIP 4.05904
79 1KAO GDP 4.19162
80 4NBI D3Y 4.26829
81 5D9J 0N8 4.27807
82 3IA4 MTX 4.32099
83 5ZM0 FAD 4.33437
84 2CIX CEJ 4.34783
85 3RV5 DXC 4.49438
86 2O5L MNR 4.57516
87 3GFB NAD 4.64396
88 1T0S BML 4.65116
89 2I0G I0G 4.66926
90 2WUF KEM 4.811
91 5UC9 MYR 4.86726
92 4DDY DN6 4.94297
93 5N26 CPT 4.94506
94 1GNI OLA 4.95356
95 4F06 PHB 4.95356
96 3HAZ NAD 4.95356
97 5WX3 COA 4.95356
98 3K9U ACO 5.03145
99 3MBG FAD 5.03597
100 9ABP GAL 5.22876
101 9ABP GLA 5.22876
102 5GUE GGS 5.26316
103 4JKV 1KS 5.26316
104 2E2R 2OH 5.32787
105 5G3N X28 5.51181
106 3L0E G58 5.5336
107 5OLZ T4E 5.57276
108 6C0T EE4 5.57276
109 3ZQE DXC 5.57377
110 1W4R TTP 5.64103
111 4BQS K2Q 5.68182
112 4BQS ADP 5.68182
113 1Q0R AKT 5.7047
114 2UVO NDG 5.84795
115 2UVO NAG 5.84795
116 1N1G BCP 5.88235
117 4O6M C5P 5.88235
118 6EDK 1YA 5.99078
119 4UCC ZKW 6.00858
120 3BNK FMN 6.12245
121 5A4W QCT 6.13208
122 5CYV WCA 6.16438
123 1NP7 FAD 6.19195
124 2OWZ CIT 6.19195
125 2RH1 CAU 6.19195
126 3H0A D30 6.25
127 3GWT 066 6.50155
128 1XMU ROF 6.50155
129 5OHJ 9VE 6.50155
130 1XM4 PIL 6.50155
131 2FV5 541 6.51341
132 5TVI MYR 6.52174
133 1NHZ 486 6.78571
134 2Y7P SAL 6.88073
135 5LXT 7AK 6.99301
136 3JUQ AKD 7.02703
137 3JUQ AJD 7.02703
138 2HZL PYR 7.12074
139 3G4G D71 7.12074
140 3G58 988 7.12074
141 1XON PIL 7.12074
142 3EM0 CHD 7.24638
143 1QNF HDF 7.43802
144 1QNF FAD 7.43802
145 2ORV 4TA 7.69231
146 4DV8 0LX 7.73994
147 3ZKI WZV 7.73994
148 4NOS H4B 7.73994
149 1M2Z BOG 7.7821
150 5NM7 GLY 7.89474
151 4OGQ 7PH 7.90698
152 4OGQ UMQ 7.90698
153 5UQW GDP 7.93651
154 4URX FK1 8.10811
155 1LTZ HBI 8.41751
156 3CIP ATP 8.59375
157 5LX9 OLA 8.79479
158 3RMK BML 8.82353
159 4Q9M FPP 8.94309
160 6BVM EBV 8.98204
161 6BVK EAV 8.98204
162 5UC1 486 9.00901
163 4O4Z N2O 9.74026
164 2ZFU SAH 9.76744
165 4F97 GDP 10.2167
166 1HFE CYS 10.5691
167 1SR7 MOF 10.8108
168 2A9K GDP 11.2108
169 1NU4 MLA 11.3402
170 4W97 UCA 11.5
171 5M36 9SZ 13.1579
172 3P0K FAD 13.5338
173 4UXH T5A 14.1304
174 1HBK MYR 14.6067
175 1HBK COA 14.6067
176 2BW7 ECS 15.0685
177 1X1R GDP 17.9775
178 5FH7 5XL 18.5484
179 5ZCO PEK 20.5479
180 5Z84 PEK 20.5479
181 5Z84 CHD 20.5479
182 5W97 CHD 20.5479
183 2DYR PEK 20.5479
184 5ZCO CHD 20.5479
185 2DYR PGV 20.5479
186 5Z84 PGV 20.5479
187 2DYS PGV 20.5479
188 5ZCO PGV 20.5479
189 2Y69 CHD 23.8095
190 1TUK PGM 25.3731
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