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 NAD 0.509434 0.875
7 NHD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NAD IBO 0.5 0.815789
10 NDO 0.491071 0.888889
11 NAP 0.486726 0.888889
12 NFD 0.486239 0.828947
13 NBP 0.465517 0.831169
14 NAJ PYZ 0.464912 0.797468
15 DND 0.461538 0.851351
16 NXX 0.461538 0.851351
17 A3D 0.421053 0.863014
18 N01 0.417391 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: 367
This union binding pocket(no: 1) in the query (biounit: 4lh7.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HZT J60 0.0001409 0.50849 1.23839
2 5M06 ADP 0.001939 0.45112 1.44928
3 4JR7 GNP 0.0001348 0.51895 1.54799
4 1CM8 ANP 0.0009098 0.47461 1.54799
5 5EKO N17 0.004488 0.4479 1.54799
6 4K39 SAM 0.004174 0.44597 1.54799
7 1XJD STU 0.002985 0.44189 1.54799
8 4OAV ACP 0.004649 0.4335 1.54799
9 4K38 SAM 0.007859 0.42969 1.54799
10 1K97 ASP 0.03205 0.41958 1.54799
11 1K97 CIR 0.03205 0.41958 1.54799
12 4ZS4 ATP 0.000645 0.49015 1.62866
13 3GGF GVD 0.001796 0.44618 1.66113
14 2CB3 MLD 0.0439 0.40518 1.71429
15 3V8S 0HD 0.0004521 0.48399 1.85759
16 4UAL 3FV 0.000864 0.47582 1.85759
17 5I35 ANP 0.0009534 0.46836 1.85759
18 4YZC STU 0.01117 0.43163 1.85759
19 4IJP 1EH 0.008399 0.42247 1.85759
20 1U2Z SAH 0.01792 0.41671 1.85759
21 3KO8 NAD 0.04008 0.40768 1.92308
22 1I7L ATP 0.0001013 0.53666 1.94175
23 2R3A SAM 0.02166 0.40194 2
24 1PHK ATP 0.007802 0.42499 2.01342
25 5MY8 RXZ 0.0002831 0.51661 2.16718
26 4OCJ NDG 0.0007289 0.50439 2.16718
27 1Q8Y ADE 0.0003677 0.4869 2.16718
28 1U5R ATP 0.001587 0.46289 2.16718
29 5X8I SQZ 0.001674 0.4551 2.16718
30 3C1X CKK 0.002855 0.45282 2.16718
31 4BTK DTQ 0.002493 0.45056 2.16718
32 2YRX AMP 0.001859 0.45005 2.16718
33 4CYI ATP 0.003203 0.44719 2.16718
34 4CTA ATP 0.01232 0.43667 2.16718
35 3VSV XYS 0.003797 0.433 2.16718
36 1Q8Y ADP 0.009182 0.42603 2.16718
37 3LXN MI1 0.002347 0.45444 2.20126
38 5E9W SAH 0.02388 0.40115 2.24359
39 5HES 032 0.0002453 0.51213 2.28013
40 3NW7 LGV 0.009484 0.4477 2.28013
41 1ZY5 ANP 0.0011 0.46083 2.31023
42 1K3A ACP 0.004145 0.42965 2.34114
43 2P3V SRT 0.01262 0.40173 2.34375
44 1PK8 ATP 0.0001041 0.53535 2.36967
45 3O7W SAM 0.006987 0.42681 2.38095
46 4E1Z 0MX 0.005845 0.43306 2.4055
47 5EXK 5AD 0.01159 0.40481 2.41692
48 4YZN 4K5 0.000899 0.47973 2.43902
49 4IPH 1FJ 0.01979 0.41803 2.43902
50 4I5I 4I5 0.01481 0.40167 2.43902
51 4I5I NAD 0.04673 0.4001 2.43902
52 2QK4 ATP 0.0002062 0.49808 2.47678
53 3W0O HY0 0.0009168 0.49654 2.47678
54 3W0O ADP 0.0009168 0.49654 2.47678
55 1EHI ADP 0.000575 0.49269 2.47678
56 5C03 AGS 0.000455 0.48471 2.47678
57 5LI1 ANP 0.001449 0.46431 2.47678
58 4DC2 ADE 0.0005891 0.4544 2.47678
59 4KQI RBZ 0.03995 0.40594 2.47678
60 4WOV 3SM 0.002371 0.43799 2.52366
61 5JGA 6KC 0.0342 0.40193 2.53968
62 3RI1 3RH 0.00755 0.42772 2.55591
63 4IWN GEK 0.008651 0.43887 2.62009
64 5IQD RIO 0.01133 0.43245 2.62295
65 5IQD GNP 0.01087 0.43245 2.62295
66 2CNE DFJ 0.0343 0.41329 2.63158
67 4I94 ANP 0.0003709 0.49909 2.66667
68 3MQ2 SAH 0.0161 0.41183 2.75229
69 1CKM GTP 0.00003123 0.55853 2.78638
70 3DNT ATP 0.00005703 0.54545 2.78638
71 4ANW O92 0.0008024 0.49976 2.78638
72 3VOT ADP 0.0003143 0.49538 2.78638
73 1CKN GTP 0.0002226 0.49006 2.78638
74 4YLL 4E3 0.003685 0.45071 2.78638
75 3FHI ANP 0.005207 0.43932 2.78638
76 4ME6 ADP 0.003163 0.42481 2.78638
77 5JAQ NAI 0.03329 0.41713 2.78638
78 2PZI AXX 0.0002364 0.41564 2.78638
79 4L9I 8PR 0.01358 0.41457 2.78638
80 5TA6 79D 0.03425 0.40464 2.78638
81 1RJD SAM 0.02825 0.40007 2.78638
82 4HIA FMN 0.03795 0.40745 2.84091
83 3AQV TAK 0.003554 0.43172 2.89855
84 1OBD ATP 0.004432 0.4402 2.94118
85 5MJA 7O3 0.0006493 0.48234 2.95082
86 3FUU ADN 0.02764 0.40048 2.95203
87 2XVD AS6 0.002517 0.46756 2.98013
88 4AT3 LTI 0.003597 0.45779 3.01003
89 2BKK ADP 0.008186 0.42269 3.0303
90 5GM1 SAH 0.03495 0.40014 3.0303
91 3GRU AMP 0.01481 0.42139 3.05085
92 5DZT AMP 0.0001409 0.49142 3.09598
93 5LXC 7AA 0.0004331 0.48589 3.09598
94 4CLI 5P8 0.002692 0.47968 3.09598
95 4G17 0VN 0.0009316 0.46044 3.09598
96 2VQD AP2 0.003786 0.44802 3.09598
97 3KRL KRL 0.004495 0.44039 3.09598
98 3LOO B4P 0.0161 0.434 3.09598
99 1Q9I TEO 0.02645 0.42823 3.09598
100 1TKK ALA GLU 0.01136 0.42021 3.09598
101 4JDI ANP 0.01727 0.40712 3.09598
102 4TTS 6DD 0.01687 0.40818 3.14465
103 4C2V YJA 0.02465 0.4015 3.15789
104 1GSA ADP 0.00007566 0.547 3.16456
105 5N87 N66 0.01397 0.43223 3.19489
106 3JWH SAH 0.02596 0.40056 3.22581
107 1IOW PHY 0.001237 0.49644 3.26797
108 1IOW ADP 0.001237 0.49644 3.26797
109 5K2M ADP 0.0006321 0.50209 3.2967
110 5V22 SAH 0.007805 0.42794 3.367
111 5JZJ AN2 0.0223 0.40406 3.367
112 3DLS ADP 0.00001553 0.55961 3.40557
113 4IX4 ADP 0.0002344 0.50935 3.40557
114 5BVE 4VG 0.004527 0.47432 3.40557
115 4H3Q ANP 0.001524 0.46814 3.40557
116 4H3P ANP 0.001668 0.46051 3.40557
117 4XH0 ADP 0.0005674 0.43714 3.40557
118 4O1P ANP 0.004887 0.43443 3.40557
119 2PYW ADP 0.005007 0.43355 3.40557
120 2QF7 AGS 0.01096 0.42817 3.40557
121 3I0O ADP 0.008331 0.42012 3.40557
122 3GQI ACP 0.01184 0.41117 3.40557
123 5CKW ANP 0.01271 0.4033 3.40557
124 2A19 ANP 0.0008059 0.40789 3.42857
125 4R6W PC 0.04835 0.41574 3.48837
126 4XBA 5GP 0.00265 0.45141 3.5
127 4XBA GMP 0.004637 0.43588 3.5
128 4D2S DYK 0.00305 0.43461 3.52113
129 4EN4 GT1 0.01662 0.43016 3.52564
130 4EN4 ATP 0.01662 0.43016 3.52564
131 4EN4 GT0 0.01662 0.43016 3.52564
132 4RDL FUC GAL NDG FUC 0.005374 0.42061 3.57143
133 5JLB SAH 0.009449 0.42121 3.58423
134 4FMU 0UM 0.02687 0.4047 3.59712
135 1XDN ATP 0.000002325 0.60806 3.61011
136 1S68 AMP 0.0000316 0.53221 3.61446
137 4Z4P SAH 0.007515 0.41598 3.61446
138 4AGQ P96 0.01195 0.43161 3.65297
139 3HAV ATP 0.00003989 0.52758 3.67893
140 2R7K AMZ 0.0002313 0.5267 3.71517
141 4OCV ANP 0.0002088 0.50959 3.71517
142 4U44 3D9 0.0003715 0.4953 3.71517
143 3OFM 4B0 0.0002314 0.49415 3.71517
144 4U98 ACP 0.0005484 0.49154 3.71517
145 3F7Z 34O 0.000615 0.47806 3.71517
146 1O9U ADZ 0.0002076 0.47688 3.71517
147 4Y93 746 0.001799 0.46564 3.71517
148 1RE8 BD2 0.005357 0.4619 3.71517
149 4WB6 ATP 0.002901 0.45372 3.71517
150 2QCS ANP 0.003439 0.45087 3.71517
151 3S6X SIA GAL BGC 0.005574 0.43247 3.71517
152 4WB7 ATP 0.01477 0.42865 3.71517
153 2YAB AMP 0.00961 0.41571 3.71517
154 2EFJ SAH 0.02122 0.40723 3.71517
155 4XV1 904 0.02702 0.41526 3.76712
156 3DAK ANP 0.006647 0.42518 3.7931
157 2EV9 SKM 0.01545 0.4264 3.80228
158 2EV9 NAP 0.01545 0.4264 3.80228
159 5U6C 7YS 0.001276 0.47297 3.80952
160 1H2T GDP 7MG 0.009495 0.42451 3.84615
161 3RE4 TO1 0.009245 0.41069 3.87597
162 5A6N U7E 0.004688 0.42833 3.88693
163 5AX9 4KT 0.0005434 0.48447 3.8961
164 4YNM SAM 0.006459 0.43229 3.9823
165 5CEO 50D 0.003238 0.44547 4
166 4Y0X ADP 0.00003397 0.55221 4.02477
167 5TDF ADP 0.001398 0.46821 4.02477
168 1E4E ADP 0.001882 0.46048 4.02477
169 5A3T MMK 0.00972 0.442 4.02477
170 3GC0 AMP 0.005796 0.41968 4.02477
171 1WVG APR 0.02675 0.4131 4.02477
172 5IH9 6BF 0.02885 0.40824 4.02477
173 1WVG CXY 0.02183 0.40238 4.02477
174 2YAK OSV 0.002777 0.45929 4.21053
175 3ETH ATP 0.001136 0.47637 4.22535
176 4CQK PIO 0.005963 0.40605 4.25532
177 3VPD ANP 0.0004028 0.50438 4.27046
178 3V4S ATP 0.0002551 0.51103 4.33437
179 3PE2 E1B 0.0009088 0.50261 4.33437
180 1OPK P16 0.001194 0.49053 4.33437
181 3WVR AMP 0.0005348 0.48642 4.33437
182 4PZ6 GMP 0.0002489 0.48393 4.33437
183 5EFQ ADP 0.0007959 0.48015 4.33437
184 4NST ADP 0.0008097 0.47946 4.33437
185 3V4S ADP 0.00167 0.47705 4.33437
186 3C0G 3AM 0.001491 0.46632 4.33437
187 4AZT LY2 0.003849 0.43615 4.33437
188 5DNK SAH 0.005801 0.43124 4.33437
189 4IDT T28 0.004019 0.43065 4.33437
190 2FSH ANP 0.00716 0.42676 4.33437
191 3G5S FAD 0.04751 0.40489 4.33437
192 3M2W L8I 0.00835 0.40971 4.34783
193 5A5W GUO 0.0428 0.4052 4.34783
194 2ZV2 609 0.0002708 0.42092 4.36242
195 1U7Z PMT 0.03503 0.41608 4.42478
196 5XDT ZI7 0.02865 0.40849 4.54545
197 4AUA 4AU 0.0003826 0.49209 4.56026
198 5FM0 WAQ 0.02546 0.41284 4.61538
199 4GJ3 0XP 0.00557 0.44523 4.63576
200 2CFM AMP 0.00001565 0.46792 4.64396
201 3H9R TAK 0.0007866 0.46349 4.64396
202 5MW8 ATP 0.00189 0.45947 4.64396
203 3UA1 08Y 0.02176 0.43245 4.64396
204 1XMV ADP 0.01127 0.41466 4.64396
205 5I2E 67D 0.0196 0.43866 4.65116
206 5W2I ADP 0.005983 0.44404 4.66926
207 5W2I I3P 0.005983 0.44404 4.66926
208 5C4L 4XR 0.0002516 0.52414 4.6729
209 5C4L SIS 0.001552 0.4801 4.6729
210 3O0G 3O0 0.00144 0.46251 4.69799
211 4LRJ ANP 0.004457 0.43796 4.73373
212 5HQ0 LZ9 0.001138 0.47332 4.7619
213 4M69 ANP 0.002059 0.46105 4.79233
214 5LPZ ADP 0.002401 0.45193 4.95356
215 2B9F ADP 0.002299 0.44994 4.95356
216 2B9H ADP 0.004474 0.43445 4.95356
217 2VVM FAD 0.0277 0.42155 4.95356
218 2VVL FAD 0.03553 0.4157 4.95356
219 5EYK 5U5 0.01441 0.41196 5.08475
220 3W2E NAD 0.01522 0.43945 5.16605
221 3W2E FAD 0.01522 0.43945 5.16605
222 2HGS ADP 0.0001644 0.5187 5.26316
223 2V7O DRN 0.0002202 0.49065 5.26316
224 3TII ANP 0.0004541 0.4808 5.26316
225 3LXK MI1 0.002263 0.46747 5.26316
226 3SBD GNP 0.04144 0.40453 5.34759
227 5VYR B62 0.04055 0.40543 5.36398
228 5VYR GMP 0.04055 0.40543 5.36398
229 1BYG STU 0.0006972 0.47706 5.39568
230 5LPB ADP 0.001362 0.45606 5.40541
231 3AKK ADP 0.0001656 0.51541 5.57276
232 5UIU 8CG 0.001881 0.47352 5.57276
233 4DFU QUE 0.0004414 0.43239 5.57276
234 4KRI SAH 0.0115 0.42442 5.57276
235 2IF8 ADP 0.005282 0.42116 5.57276
236 3JYN NDP 0.03283 0.41631 5.57276
237 4YMJ 4EJ 0.0003321 0.48036 5.59211
238 5HX8 66P 0.002749 0.46341 5.62914
239 4EUU BX7 0.004788 0.44403 5.64263
240 2VN9 GVD 0.0003635 0.47873 5.64784
241 4BCQ TJF 0.002143 0.44249 5.64784
242 4BCM T7Z 0.001842 0.44035 5.64784
243 4BCN T9N 0.0004359 0.40065 5.66667
244 4N9I PCG 0.0046 0.4721 5.71429
245 3KRR DQX 0.0384 0.42603 5.76271
246 2OFV 242 0.009853 0.43514 5.77617
247 1GS5 NLG 0.02975 0.42049 5.81395
248 5USZ SKE 0.0003129 0.50892 5.88235
249 5KMJ 6UF 0.00361 0.45024 5.88235
250 3TXO 07U 0.002028 0.44876 5.88235
251 5VC5 96M 0.02994 0.40219 5.88235
252 2WQP WQP 0.04929 0.40094 5.88235
253 2GQR ADP 0.006226 0.43393 5.90717
254 2WEL K88 0.002145 0.4309 6
255 3CY2 MB9 0.000178 0.51911 6.05096
256 2CSN CKI 0.0003397 0.51453 6.06061
257 3AD8 NAD 0.0349 0.41442 6.06061
258 5VCV 1N1 0.008584 0.42323 6.10932
259 3SRV S19 0.0003333 0.4947 6.13718
260 5JFS 6K0 0.001719 0.48939 6.16883
261 4N70 2HX 0.001242 0.49977 6.19195
262 5W4W 9WG 0.001546 0.48565 6.19195
263 4E93 GUI 0.001897 0.47458 6.19195
264 4Y8D 49J 0.00121 0.46576 6.19195
265 1BVY FMN 0.005151 0.44342 6.19195
266 5FI4 5XV 0.004856 0.43921 6.19195
267 5DXT 5H5 0.003826 0.4378 6.19195
268 3PTG 932 0.002957 0.43713 6.19195
269 2QMC GTB 0.01641 0.40602 6.19195
270 5GZ9 ANP 0.002003 0.46966 6.22951
271 3H0A D30 0.03912 0.40401 6.25
272 2GQS ADP 0.006048 0.43512 6.32911
273 2Q7D ANP 0.00002783 0.57542 6.35838
274 4WW7 AMP 0.0008955 0.48294 6.41711
275 3MVH WFE 0.001877 0.46897 6.50155
276 3T7V SAM 0.009222 0.43372 6.50155
277 1SB8 UD2 0.02588 0.43247 6.50155
278 4EJN 0R4 0.02041 0.40108 6.50155
279 4Y85 499 0.01674 0.40095 6.50155
280 3TY5 ADP 0.000008271 0.57524 6.81115
281 1T36 ADP 0.0004884 0.50745 6.81115
282 3E7O 35F 0.0008114 0.49766 6.81115
283 3TY5 ATP 0.0002604 0.49301 6.81115
284 2JDR L20 0.004548 0.47533 6.81115
285 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.004548 0.47533 6.81115
286 4AZW ATP 0.001534 0.47448 6.81115
287 3X01 AMP 0.0008808 0.43057 6.81115
288 3KN5 ANP 0.01302 0.40247 6.81115
289 4CSV STI 0.0003291 0.50719 6.90909
290 5LXT ACP 0.0002694 0.50956 6.99301
291 5AWM ANP 0.000172 0.50908 7.12074
292 2R85 AMP 0.003838 0.45435 7.12074
293 5X62 SAH 0.0138 0.41763 7.12074
294 4BKJ STI 0.0003528 0.50755 7.30159
295 4TWP AXI 0.03368 0.41395 7.38007
296 3PLS ANP 0.00194 0.45467 7.38255
297 2WQN ADP 0.00007534 0.43101 7.41935
298 4XYM A12 0.001057 0.47977 7.43034
299 1Y57 MPZ 0.006436 0.43384 7.43034
300 4EUE NAI 0.03743 0.40534 7.43034
301 4XT2 43L 0.01929 0.4054 7.43802
302 4XLI 1N1 0.001219 0.46358 7.46269
303 5C1P DAL DAL 0.0007212 0.49747 7.51634
304 5C1P ADP 0.0003493 0.4965 7.51634
305 4WNP 3RJ 0.0008416 0.46263 7.66551
306 2WEI VGG 0.01233 0.40315 7.66551
307 5FBN 5WF 0.01548 0.42267 7.74908
308 3KDJ A8S 0.01522 0.41492 7.91139
309 4IEN GDP 0.003146 0.4444 7.97546
310 5COU ATP 0.000002767 0.6127 8.04954
311 2VPQ ANP 0.000943 0.47518 8.04954
312 5VZ0 ADP 0.0009538 0.46967 8.04954
313 4BFM ANP 0.001192 0.46766 8.04954
314 3UDZ ADP 0.0004317 0.49308 8.11359
315 2OO8 RAJ 0.01853 0.41127 8.20189
316 5BW4 SAM 0.01745 0.40738 8.2397
317 5M5G SAH 0.01715 0.41126 8.35913
318 3FWN 6PG 0.01642 0.40801 8.35913
319 3FWN ATR 0.03264 0.40801 8.35913
320 4INI AMP 0.002775 0.45088 8.46154
321 1FHX 4IP 0.01059 0.41194 8.52713
322 3RFV NAI 0.03844 0.40578 8.61423
323 4WAS COO 0.02871 0.42001 8.97833
324 1N9G NAP 0.04243 0.40275 8.97833
325 3ZS7 ATP 0.03292 0.40377 9
326 5EEL MLA 0.0004937 0.40668 9.16667
327 3TKI S25 0.02094 0.42841 9.28793
328 8CAT NDP 0.04013 0.40013 9.28793
329 4JGP PYR 0.006391 0.41669 9.67742
330 2ZFU SAH 0.0151 0.41497 9.76744
331 3LCC SAH 0.01973 0.40814 9.78723
332 4BHN BH9 0.001728 0.46259 9.90712
333 4MV1 ADP 0.005703 0.45428 9.90712
334 3IDB ANP 0.002045 0.45853 9.93789
335 4IJ6 SEP 0.01046 0.40149 9.95261
336 4USF 6UI 0.002488 0.45919 10.1974
337 5DBX ANP 0.00243 0.4435 10.5263
338 4RVU NDP 0.03507 0.414 10.5263
339 3VC1 SAH 0.02209 0.42804 10.5769
340 4ZGP ADP 0.006018 0.4254 10.5802
341 3B4Y F42 0.02603 0.40787 10.8359
342 4QTB 38Z 0.001944 0.4703 11.1455
343 4O4F ATP 0.003568 0.45434 11.2903
344 4O4F IHP 0.003803 0.45434 11.2903
345 2PUL ACP 0.005503 0.42095 11.4551
346 5EPL 5R0 PHE ALA LEU ELY 5R5 0.02895 0.40348 11.6667
347 1Q2C COA 0.02858 0.40639 11.7284
348 4FG8 ATP 0.006836 0.42283 11.746
349 2Q4H AMP 0.01006 0.4316 11.7647
350 5UOX 8GY 0.001065 0.47737 11.8081
351 3UIM ANP 0.001064 0.47608 12.0743
352 4AXD ANP 0.0007064 0.51084 12.5
353 4R78 AMP 0.003478 0.4266 12.6214
354 2IO8 ADP 0.002602 0.46099 12.6935
355 5H2U 1N1 0.0008287 0.4766 12.7341
356 3N1S 5GP 0.00292 0.44756 13.4454
357 2J9D ADP 0.008564 0.43109 13.4454
358 1YZX GSF 0.01322 0.41322 13.7168
359 4A4X JUP 0.002175 0.465 14.3369
360 4EZW ASN ARG LEU LEU LEU THR GLY 0.02024 0.40114 15.5251
361 1M0W ANP 0.002377 0.44769 15.7895
362 4F9C 0SX 0.0004642 0.49083 15.9722
363 3D78 NBB 0.0123 0.42204 19.3277
364 3ZRM ZRM 0.000161 0.51312 25
365 3WO0 ALA 0.00716 0.44545 26.935
366 3BU5 ATP 0.01274 0.40958 33.3333
367 2PVF ACP 0.01401 0.40444 33.3333
Pocket No.: 2; Query (leader) PDB : 4LH7; Ligand: NMN; Similar sites found: 91
This union binding pocket(no: 2) in the query (biounit: 4lh7.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QQA TCH 0.01953 0.41345 1.38889
2 4QAR ADE 0.01601 0.40515 1.49254
3 4RW3 TDA 0.02514 0.40059 1.65563
4 4OIV XX9 0.02511 0.4267 1.76991
5 4IGH ORO 0.0115 0.46136 1.85759
6 4IGH FMN 0.0115 0.46136 1.85759
7 4IGH 1EA 0.0115 0.46136 1.85759
8 5LIA 6XN 0.02619 0.44018 1.85759
9 4DHY S41 0.02666 0.4095 1.85759
10 2QCX PF1 0.003596 0.4277 1.90114
11 2OZ5 7XY 0.0207 0.41563 2.02703
12 5IKH 6BW 0.01937 0.42468 2.16718
13 4U63 FAD 0.04449 0.40039 2.16718
14 5A8E XTK 0.02536 0.40868 2.22222
15 2EXX NAP 0.04805 0.40594 2.28758
16 2QZO KN1 0.02584 0.40184 2.32558
17 5V13 JH3 0.01896 0.40788 2.43056
18 3AJ6 NGA 0.005605 0.41912 2.44755
19 3QPB URA 0.006992 0.40067 2.48227
20 2ZPT A3P 0.03124 0.42995 2.71186
21 5DRB 5FJ 0.04741 0.41467 2.74914
22 4GU5 FAD 0.01638 0.42409 2.78638
23 1O5R FR9 0.02041 0.42204 2.78638
24 1DNP FAD 0.0351 0.4065 2.78638
25 3DZD ADP 0.01889 0.40648 2.78638
26 1ATL 0QI 0.009832 0.42818 2.9703
27 5KJU 6TO 0.008226 0.42898 3.09598
28 5U3B 7TD 0.02646 0.41322 3.34448
29 4MIG G3F 0.03285 0.42506 3.40557
30 1YOK P6L 0.03025 0.41717 3.51562
31 4O8A FAD 0.03822 0.4077 3.63901
32 1ZDU P3A 0.01137 0.4306 3.67347
33 2GSU AMP 0.003814 0.44379 3.71517
34 5X1M DHB 0.009431 0.43987 3.71517
35 5X1M THG 0.01105 0.43724 3.71517
36 1U3D FAD 0.02433 0.41498 3.71517
37 2BJK NAD 0.03537 0.41116 3.71517
38 3Q8G PEE 0.04118 0.42353 3.75
39 5VEO AMP 0.006546 0.42858 3.84615
40 2J4D FAD 0.009534 0.43558 4.02477
41 2IYA ZIO 0.01412 0.42762 4.02477
42 1DRJ RIP 0.009136 0.40898 4.05904
43 1KAO GDP 0.02094 0.40364 4.19162
44 3RV5 DXC 0.0005799 0.40857 4.49438
45 2O5L MNR 0.01788 0.40655 4.57516
46 2I0G I0G 0.01193 0.4517 4.66926
47 5UC9 MYR 0.01469 0.40767 4.86726
48 3HAZ NAD 0.03413 0.40806 4.95356
49 9ABP GLA 0.01021 0.41702 5.22876
50 9ABP GAL 0.01021 0.41702 5.22876
51 5GUE GGS 0.01293 0.42184 5.26316
52 2E2R 2OH 0.04197 0.4082 5.32787
53 5G3N X28 0.02781 0.40418 5.51181
54 3L0E G58 0.04454 0.40068 5.5336
55 5IUB CLR 0.01756 0.42966 5.57276
56 5IUB 6DV 0.01092 0.42912 5.57276
57 4BQS K2Q 0.04804 0.40614 5.68182
58 1Q0R AKT 0.02904 0.40028 5.7047
59 4O6M C5P 0.02531 0.40006 5.88235
60 4UCC ZKW 0.009589 0.42561 6.00858
61 5A4W QCT 0.008552 0.45579 6.13208
62 5CYV WCA 0.01441 0.42164 6.16438
63 1NP7 FAD 0.01042 0.43377 6.19195
64 2RH1 CAU 0.01987 0.40626 6.19195
65 3H0A D30 0.01313 0.42854 6.25
66 3GWT 066 0.0276 0.41537 6.50155
67 1NHZ 486 0.021 0.41227 6.78571
68 3HF6 LX0 0.04827 0.40408 6.89655
69 3G4G D71 0.01816 0.40942 7.12074
70 3G58 988 0.01876 0.40783 7.12074
71 1XON PIL 0.04847 0.40037 7.12074
72 3EM0 CHD 0.0356 0.42456 7.24638
73 1YDK GTX 0.0213 0.4176 7.65766
74 4DV8 0LX 0.02972 0.41803 7.73994
75 3ZKI WZV 0.01405 0.41455 7.73994
76 1M2Z BOG 0.009452 0.41103 7.7821
77 5UQW GDP 0.0202 0.41392 7.93651
78 1LTZ HBI 0.01267 0.40313 8.41751
79 2ZFU SAH 0.01908 0.41283 9.76744
80 4F97 GDP 0.003607 0.43638 10.2167
81 1SR7 MOF 0.02792 0.41541 10.8108
82 3DLG GWE 0.01176 0.45943 11.1455
83 2A9K GDP 0.01916 0.40447 11.2108
84 4W97 UCA 0.01996 0.41602 11.5
85 3P0K FAD 0.01357 0.42179 13.5338
86 2BW7 ECS 0.0496 0.41444 15.0685
87 1X1R GDP 0.0325 0.40349 17.9775
88 5FH7 5XL 0.01546 0.40103 18.5484
89 2DYR PEK 0.0184 0.42456 20.5479
90 2DYR PGV 0.0309 0.41821 20.5479
91 2DYS PGV 0.03398 0.41394 20.5479
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