Receptor
PDB id Resolution Class Description Source Keywords
1P31 1.85 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGA FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTR PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLU J.BACTERIOL. V. 185 4152 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPU A:598;
B:602;
Valid;
Valid;
none;
none;
submit data
677.4 C20 H29 N3 O19 P2 CC(=O...
MG A:611;
A:776;
B:601;
B:710;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P31 1.85 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGA FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTR PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLU J.BACTERIOL. V. 185 4152 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P31 - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P31 - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P31 - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EPU; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 EPU 1 1
2 EPZ 0.770642 0.957747
3 EEB 0.747748 0.944444
4 UD2 0.742857 0.971429
5 UD1 0.742857 0.971429
6 U20 0.704918 0.85
7 U21 0.704918 0.85
8 UMA 0.697479 0.957747
9 HP7 0.681818 0.957143
10 MJZ 0.675676 0.930556
11 UD7 0.666667 0.943662
12 GUD 0.644231 0.957143
13 UFM 0.644231 0.957143
14 GDU 0.644231 0.957143
15 UPG 0.644231 0.957143
16 UD4 0.640351 0.930556
17 UDZ 0.632479 0.87013
18 UAG 0.626866 0.906667
19 U2F 0.611111 0.905405
20 UPF 0.611111 0.905405
21 UGA 0.6 0.942857
22 UGB 0.6 0.942857
23 U22 0.6 0.829268
24 UFG 0.59633 0.905405
25 UDM 0.587719 0.930556
26 12V 0.584746 0.917808
27 HWU 0.584746 0.917808
28 UML 0.575342 0.85
29 USQ 0.571429 0.814815
30 UAD 0.567568 0.929577
31 UDX 0.567568 0.929577
32 UDP 0.554455 0.901408
33 UTP 0.553398 0.901408
34 G3N 0.552632 0.90411
35 UD0 0.542253 0.8375
36 URM 0.540541 0.916667
37 660 0.540541 0.916667
38 4RA 0.528169 0.848101
39 UPU 0.527778 0.928571
40 IUG 0.524194 0.804878
41 UNP 0.523364 0.876712
42 3UC 0.521368 0.905405
43 U5P 0.49505 0.887324
44 UPP 0.491228 0.902778
45 UDH 0.491228 0.833333
46 UDP GAL 0.487179 0.929577
47 2KH 0.477064 0.876712
48 C5G 0.470588 0.905405
49 44P 0.466667 0.864865
50 2QR 0.458333 0.839506
51 Y6W 0.457627 0.88
52 UDP UDP 0.453704 0.873239
53 UP5 0.44697 0.822785
54 UAG API 0.440994 0.858974
55 2GW 0.440945 0.944444
56 4TC 0.42963 0.802469
57 1GW 0.428571 0.906667
58 CSV 0.425197 0.844156
59 CSQ 0.425197 0.844156
60 U 0.424242 0.828571
61 URI 0.424242 0.828571
62 PMP UD1 0.417219 0.8125
63 CJB 0.411765 0.814286
64 UMA FGA LYS DAL DAL 0.406977 0.8375
65 U U 0.406504 0.888889
66 U3P 0.401869 0.873239
67 UA3 0.401869 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P31; Ligand: EPU; Similar sites found: 472
This union binding pocket(no: 1) in the query (biounit: 1p31.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2O4C NAD 0.01136 0.40747 1.05263
2 1UP7 NAD 0.0004482 0.46324 1.19904
3 3L9W GSH 0.006698 0.41532 1.21065
4 3L9W AMP 0.007638 0.41532 1.21065
5 4DSG FAD 0.008784 0.43674 1.26316
6 4DSG UDP 0.008784 0.43674 1.26316
7 1Q9I TEO 0.0446 0.40002 1.26316
8 2F5Z FAD 0.02111 0.40789 1.26582
9 1PL6 572 0.0003535 0.47736 1.40449
10 1PL6 NAD 0.0005251 0.45272 1.40449
11 1ORR NAD 0.002436 0.44046 1.44092
12 5M67 ADE 0.004409 0.44375 1.47368
13 5M67 NAD 0.004533 0.44317 1.47368
14 5M67 3D1 0.004919 0.44147 1.47368
15 2WET FAD 0.005127 0.43431 1.47368
16 1RSG FAD 0.00859 0.42469 1.47368
17 1YY5 FAD 0.01293 0.41805 1.47368
18 2BH9 NAP 0.004637 0.41527 1.47368
19 1V59 FAD 0.01991 0.40992 1.47368
20 3CGD FAD 0.04576 0.40932 1.47368
21 3CGD COA 0.04576 0.40932 1.47368
22 3CGD NAD 0.04576 0.40932 1.47368
23 5D4V SAH 0.007683 0.40373 1.49254
24 4RPL 3UC 0.0337 0.41144 1.50376
25 4RPL FAD 0.03692 0.40774 1.50376
26 2Y6Q I7T 0.01124 0.42264 1.50754
27 2Y6Q FAD 0.005968 0.42144 1.50754
28 5BR7 FAD 0.03761 0.40617 1.52672
29 5BR7 FLC 0.03761 0.40617 1.52672
30 2V3A FAD 0.009265 0.41929 1.5625
31 1DLL LAT 0.01929 0.40807 1.5873
32 5X20 NAD 0.004084 0.42064 1.60256
33 3KO8 NAD 0.01527 0.40277 1.60256
34 1P0F NAP 0.006306 0.42035 1.60858
35 4D3F NAP 0.00639 0.40724 1.6129
36 4D04 FAD 0.009831 0.43564 1.68421
37 4D04 NAP 0.009831 0.43564 1.68421
38 2RGO FAD 0.006159 0.42651 1.68421
39 3LAD FAD 0.009784 0.42202 1.68421
40 4MOP 2H5 0.015 0.42049 1.68421
41 4PIV NDP 0.008532 0.41313 1.68421
42 3GMB FAD 0.01369 0.40721 1.68675
43 3LXD FAD 0.01491 0.40657 1.68675
44 4PVD NDP 0.01257 0.4003 1.75439
45 1GY8 NAD 0.001775 0.44411 1.76322
46 3U4C NDP 0.009034 0.40945 1.77936
47 5L95 AMP 0.005143 0.40782 1.79211
48 3KLJ FAD 0.01209 0.40858 1.81818
49 4TQG NDP 0.00521 0.42024 1.85759
50 4D7E FAD 0.002548 0.44317 1.8648
51 1UWK NAD 0.002951 0.44943 1.89474
52 1DJN ADP 0.003917 0.41825 1.89474
53 2R4J 13P 0.02148 0.41291 1.89474
54 5LD5 NAD 0.001227 0.44041 1.95531
55 1EBF NAD 0.003614 0.42142 1.95531
56 4OPC PGT 0.01585 0.44266 1.98676
57 4OPC FDA 0.01394 0.44266 1.98676
58 1Z3C SA8 0.009555 0.40964 2.01342
59 2VVM FAD 0.009674 0.42038 2.0202
60 1H9A NAP 0.01238 0.40923 2.06186
61 1T3D CYS 0.01808 0.41386 2.07612
62 2DBZ NAP 0.004158 0.42465 2.09581
63 1DSS NAD 0.0003965 0.4656 2.1021
64 1X87 NAD 0.00387 0.41848 2.10526
65 1PS9 FAD 0.01153 0.41773 2.10526
66 2RGH FAD 0.02255 0.40306 2.10526
67 2B9W FAD 0.0135 0.42486 2.12264
68 1D1T NAD 0.002719 0.43701 2.14477
69 4M52 FAD 0.02534 0.40242 2.14592
70 5MZI FYK 0.02604 0.41349 2.1692
71 5MZI FAD 0.02529 0.41349 2.1692
72 2V6G NAP 0.01087 0.40834 2.1978
73 5THQ NDP 0.003044 0.43214 2.20588
74 5KKA 6V0 0.0004229 0.47382 2.24359
75 2NAD NAD 0.01132 0.41211 2.29008
76 4XUC SAM 0.006517 0.42206 2.29358
77 4XUC 43G 0.006517 0.42206 2.29358
78 1NFQ NAI 0.003352 0.43287 2.30769
79 1ELI PYC 0.008517 0.421 2.31362
80 1MO9 FAD 0.01229 0.43886 2.31579
81 1MO9 KPC 0.01325 0.43771 2.31579
82 3AYI HCI 0.01217 0.42563 2.31579
83 3AYI FAD 0.01175 0.42563 2.31579
84 4REP FAD 0.009144 0.42056 2.31579
85 3MJE NDP 0.006865 0.41615 2.31579
86 1FEC FAD 0.01675 0.41434 2.31579
87 4FWE FAD 0.01539 0.41358 2.31579
88 5TTJ FAD 0.01721 0.40767 2.31579
89 4MIG G3F 0.02598 0.40671 2.31579
90 3GDN FAD 0.02115 0.40615 2.31579
91 3GDN HBX 0.02859 0.40615 2.31579
92 3OJO NAD 0.006018 0.41004 2.32019
93 3OID NDP 0.01805 0.40057 2.32558
94 4ZGS NAD 0.0004712 0.46051 2.33161
95 1F8G NAD 0.0006327 0.42252 2.34375
96 2XVF FAD 0.013 0.41142 2.37069
97 1CF2 NAP 0.004784 0.41908 2.37389
98 3SSO SAH 0.01439 0.41226 2.38663
99 4BVA T3 0.01302 0.41239 2.38806
100 4BVA NDP 0.0111 0.40793 2.38806
101 4EUE NAI 0.006675 0.41922 2.39234
102 1U3U NAD 0.00946 0.42271 2.40642
103 1U3U BNF 0.00946 0.42271 2.40642
104 2GLX NDP 0.002203 0.43093 2.40964
105 2CVZ NDP 0.00132 0.44403 2.42215
106 2PZM NAD 0.00718 0.42929 2.42424
107 2PZM UDP 0.00718 0.42929 2.42424
108 5BUK FAD 0.01478 0.41527 2.44444
109 5BVA FAD 0.01988 0.40913 2.44499
110 4USR FAD 0.007993 0.41683 2.49307
111 5J60 FAD 0.01757 0.40818 2.5
112 3E1T FAD 0.005711 0.43399 2.52632
113 1RYI FAD 0.008368 0.42429 2.52632
114 1XHC FAD 0.007028 0.42278 2.52632
115 4Z24 FAD 0.01733 0.41026 2.52632
116 1BXG NAD 0.0001619 0.48466 2.52809
117 1BW9 NAD 0.0002517 0.43914 2.52809
118 1C1X NAD 0.0001841 0.42084 2.53521
119 4CNK FAD 0.01173 0.41451 2.55754
120 3QWI CUE 0.01022 0.42019 2.59259
121 3QWI NAP 0.0101 0.411 2.59259
122 5G3U FDA 0.006157 0.42757 2.60047
123 5JE8 NAD 0.000596 0.40761 2.64901
124 1R6D NAD 0.006596 0.43852 2.67062
125 1R6D DAU 0.006359 0.43852 2.67062
126 1ZEM NAD 0.0001847 0.48211 2.67176
127 4ZCC NAI 0.01999 0.4137 2.67857
128 4ZCC FAD 0.01999 0.4137 2.67857
129 1DXY NAD 0.004667 0.41955 2.7027
130 5JAQ NAI 0.00834 0.42243 2.70936
131 1SC6 NAD 0.005323 0.42371 2.72277
132 4NBW NAD 0.002029 0.43722 2.72374
133 1I8T FAD 0.01533 0.41002 2.7248
134 1B8U OAA 0.00978 0.41164 2.73556
135 1B8U NAD 0.004744 0.41116 2.73556
136 4RSL FAD 0.0007422 0.46793 2.73684
137 1GPE FAD 0.0129 0.41894 2.73684
138 1I2B NAD 0.01764 0.4185 2.73684
139 1D4D FAD 0.01629 0.41241 2.73684
140 3S5W FAD 0.01037 0.40926 2.73684
141 3ICT FAD 0.01648 0.40661 2.73684
142 5EB4 FAD 0.01963 0.40591 2.73684
143 1YS4 NAP 0.007678 0.40375 2.73684
144 2NVK FAD 0.02441 0.40232 2.73684
145 3ICS FAD 0.02319 0.40063 2.73684
146 3T31 FAD 0.007059 0.43785 2.746
147 3T31 DCQ 0.007562 0.43785 2.746
148 1EJ0 SAM 0.0028 0.41727 2.77778
149 4PIO SAH 0.01035 0.41281 2.78638
150 4PIO AVI 0.01585 0.40317 2.78638
151 1U1I NAD 0.000747 0.46526 2.80612
152 1A5Z NAD 0.001169 0.41283 2.82132
153 5T2U NAP 0.01697 0.4018 2.82258
154 3NUG NAD 0.009821 0.41035 2.83401
155 1L7E NAI 0.0005729 0.45676 2.86458
156 2YY7 NAD 0.002114 0.44066 2.88462
157 2B4R AES 0.001024 0.45351 2.89855
158 2B4R NAD 0.001284 0.45049 2.89855
159 2VHW NAI 0.003473 0.43695 2.91777
160 2YVF FAD 0.02176 0.41735 2.94118
161 2YVF NAD 0.02304 0.41675 2.94118
162 4EIP K2C 0.005564 0.43721 2.94737
163 4EIP FAD 0.005564 0.43721 2.94737
164 3WQQ IB3 0.008427 0.42415 2.94737
165 4C3Y FAD 0.01023 0.42018 2.94737
166 2DKH 3HB 0.01016 0.41842 2.94737
167 2DKH FAD 0.007518 0.41805 2.94737
168 2HQM FAD 0.01671 0.41101 2.94737
169 1QO8 FAD 0.01736 0.41023 2.94737
170 3IHG FAD 0.008852 0.40985 2.94737
171 1REO FAD 0.01723 0.40765 2.94737
172 4AT0 FAD 0.02659 0.40546 2.94737
173 4C3Y ANB 0.02944 0.40256 2.94737
174 5A3B APR 0.007707 0.40982 2.9703
175 3L4S 3PG 0.002185 0.44262 2.97619
176 3L4S NAD 0.002048 0.44262 2.97619
177 3KB6 NAD 0.001021 0.45058 2.99401
178 1J49 NAD 0.002139 0.43765 3.003
179 5GT9 NAP 0.006928 0.41725 3.04183
180 1SAY PYR 0.00455 0.42924 3.04709
181 1K3T BRZ 0.007477 0.41816 3.06407
182 4CQM NAP 0.005693 0.41983 3.06513
183 2AE2 PTO 0.005546 0.43172 3.07692
184 2AE2 NAP 0.005546 0.43172 3.07692
185 4AP3 NAP 0.00371 0.45508 3.09654
186 4AP3 FAD 0.00371 0.45508 3.09654
187 5T67 JHZ 0.006374 0.43353 3.125
188 5T67 SAH 0.005846 0.43065 3.125
189 4J36 1HR 0.01381 0.41581 3.13253
190 4J36 FAD 0.008634 0.41529 3.13253
191 2DC1 NAD 0.0006614 0.45903 3.15789
192 2D2I NAP 0.0005963 0.45599 3.15789
193 2AQJ FAD 0.009701 0.43395 3.15789
194 2AQJ TRP 0.009394 0.43395 3.15789
195 2EV9 NAP 0.003723 0.43079 3.15789
196 2EV9 SKM 0.003723 0.43079 3.15789
197 1H82 GZZ 0.01857 0.42138 3.15789
198 1H82 FAD 0.01591 0.42138 3.15789
199 2IV2 2MD 0.005698 0.42111 3.15789
200 1TMO 2MD 0.01018 0.41637 3.15789
201 2JHF NAD 0.0399 0.42842 3.20856
202 2RGJ FAD 0.01112 0.41024 3.23383
203 3GEG NAD 0.0007824 0.45576 3.23887
204 4L8V NAP 0.003292 0.4306 3.2641
205 4M73 M72 0.00579 0.42776 3.2641
206 4M73 SAH 0.006027 0.42587 3.2641
207 4KP7 NAP 0.01391 0.41901 3.27869
208 4KP7 1UQ 0.01247 0.41792 3.27869
209 4NTC FAD 0.02231 0.40418 3.28358
210 1O6Z NAD 0.004865 0.41571 3.30033
211 4KOA NDP 0.004293 0.41294 3.3033
212 5T9E NAP 0.009901 0.40495 3.32103
213 1KEW NAD 0.01008 0.4281 3.3241
214 1KEW TYD 0.0362 0.40044 3.3241
215 1JNR FAD 0.03477 0.41393 3.33333
216 2G5C NAD 0.002539 0.4357 3.36842
217 5UAV NDP 0.009775 0.41614 3.41615
218 5UAV TFB 0.009775 0.41614 3.41615
219 1YB5 NAP 0.008638 0.41643 3.4188
220 4OSP NAP 0.008598 0.41042 3.42205
221 3TWO NDP 0.01522 0.40616 3.44828
222 4J4H 1J1 0.001668 0.46213 3.4749
223 4J4H NAI 0.001668 0.46213 3.4749
224 4JK3 NAD 0.00107 0.4481 3.4749
225 3B20 NAD 0.006609 0.40982 3.53982
226 1RM4 NDP 0.0007217 0.45733 3.56083
227 1LTH NAD 0.0004946 0.45958 3.57895
228 3NDJ JHZ 0.004396 0.44209 3.57895
229 3NDJ SAH 0.004396 0.44209 3.57895
230 5U8U FAD 0.01254 0.43168 3.57895
231 5UAO FAD 0.005483 0.42992 3.57895
232 2IYF UDP 0.008566 0.41957 3.61446
233 1JA9 NDP 0.01009 0.41102 3.64964
234 5KMS FAD 0.005048 0.42944 3.7037
235 1X7D ORN 0.00111 0.46104 3.71429
236 1X7D NAD 0.0008521 0.45564 3.71429
237 1CDO NAD 0.00598 0.41475 3.74332
238 1EZ4 NAD 0.003175 0.42703 3.77358
239 3OA2 NAD 0.0002284 0.40437 3.77358
240 4YAG NAI 0.002927 0.44674 3.78947
241 4GKV NAD 0.0006961 0.46666 3.86905
242 1GV0 NAD 0.01028 0.40821 3.87097
243 1J0X NAD 0.001481 0.46169 3.91566
244 1NM5 NAD 0.01025 0.4285 3.94089
245 5FJN FAD 0.01036 0.42085 3.94737
246 5FJN BE2 0.01176 0.42085 3.94737
247 5JCM NAD 0.01016 0.43621 3.99113
248 5JCM FAD 0.02173 0.41922 3.99113
249 5JCM ISD 0.02234 0.41922 3.99113
250 1N4W FAD 0.01947 0.40873 4
251 1KYQ NAD 0.002147 0.41815 4.0146
252 2FZW NAD 0.00433 0.43968 4.02145
253 1T26 NAI 0.003773 0.44155 4.03727
254 5JE0 AZ8 0.0153 0.40274 4.04858
255 5JE0 SAH 0.0153 0.40274 4.04858
256 2YYY NAP 0.01182 0.40417 4.08163
257 2GZ3 NAP 0.01109 0.42453 4.09836
258 5DM1 5D7 0.006236 0.42834 4.11985
259 5DM1 SAH 0.0147 0.40992 4.11985
260 3NJ4 AFX 0.006063 0.46756 4.13793
261 3NJ4 NAD 0.006063 0.46756 4.13793
262 1H6C NDP 0.01003 0.41667 4.15704
263 1H6C SIN 0.0192 0.40543 4.15704
264 1V8B NAD 0.001917 0.44889 4.21053
265 3UCL NAP 0.007079 0.44583 4.21053
266 3UCL CYH 0.00649 0.44583 4.21053
267 3UCL FAD 0.00649 0.44583 4.21053
268 5HSA FAS 0.00682 0.42848 4.21053
269 1PVS 7HP 0.008465 0.42206 4.21053
270 4YNU FAD 0.01942 0.40962 4.21053
271 4YNU LGC 0.02485 0.40764 4.21053
272 1ZK4 NAP 0.01648 0.40559 4.21053
273 1V6A TRE 0.0009031 0.47766 4.21687
274 4IDC 1XX 0.008589 0.4154 4.21687
275 4IDC NDP 0.008589 0.4154 4.21687
276 1BXK NAD 0.005032 0.42092 4.22535
277 1GAD NAD 0.0002158 0.4791 4.24242
278 1KOL NAD 0.006378 0.42473 4.27136
279 2BGM NAJ 0.000726 0.45561 4.31655
280 2RAB NAD 0.03294 0.41137 4.31965
281 2RAB FAD 0.01981 0.40921 4.31965
282 2WSB NAD 0.008424 0.4232 4.33071
283 3H9E NAD 0.0006399 0.40389 4.33526
284 2PT9 2MH 0.007508 0.41923 4.36137
285 4J56 FAD 0.02726 0.40257 4.38596
286 4NTD FAD 0.009192 0.41945 4.41176
287 1UXG NAD 0.00336 0.43983 4.42105
288 1G0N PHH 0.007112 0.42762 4.42105
289 3O03 NAP 0.004385 0.42077 4.42105
290 4BJZ P3A 0.02844 0.41679 4.42105
291 1G0N NDP 0.016 0.4082 4.42105
292 4MP8 NAD 0.004527 0.43272 4.42478
293 5A04 NDP 0.01132 0.4286 4.42478
294 5A04 BGC 0.01326 0.4286 4.42478
295 3CIF NAD 0.0007596 0.45789 4.45682
296 3CIF G3H 0.001163 0.45769 4.45682
297 4TM3 FAD 0.03299 0.41245 4.51467
298 1SOW NAD 0.00409 0.42893 4.57317
299 2OOR NAD 0.0004847 0.45623 4.5977
300 3BGD PM6 0.009141 0.40788 4.61538
301 3ZV6 NAD 0.01357 0.41439 4.62633
302 3ZV6 4HB 0.01418 0.41439 4.62633
303 2GSD NAD 0.01008 0.41444 4.63158
304 5MBX SP5 0.0222 0.41362 4.63158
305 5MBX FAD 0.0222 0.41362 4.63158
306 2VT3 ATP 0.0002078 0.44176 4.65116
307 4JJF FE9 0.004446 0.42194 4.65116
308 4JJF N2I 0.005114 0.42194 4.65116
309 2Q2V NAD 0.01586 0.40316 4.70588
310 2Q46 NAP 0.00219 0.43719 4.74308
311 3V1U NAD 0.006942 0.41039 4.7619
312 2Q1S NAI 0.00426 0.44001 4.77454
313 4X9M FAD 0.01226 0.41554 4.78469
314 3UOY NAP 0.01529 0.4286 4.84211
315 3UOY FAD 0.01529 0.4286 4.84211
316 1SB8 UD2 0.01431 0.42148 4.84211
317 1SB8 NAD 0.01311 0.42024 4.84211
318 3EGI ADP 0.004432 0.4389 4.85437
319 3BMN NAP 0.007379 0.41473 4.86111
320 5K6A NAP 0.009658 0.40943 4.86111
321 4CM9 NAP 0.01039 0.40798 4.86111
322 3JQ8 NAP 0.01075 0.40732 4.86111
323 1R37 NAD 0.0007698 0.46466 4.89914
324 2DTX BMA 0.005561 0.43066 4.92424
325 1NV8 MEQ 0.006402 0.41483 4.92958
326 1NV8 SAM 0.006865 0.41483 4.92958
327 4J1Q NDP 0.003375 0.42731 4.9569
328 4USQ FAD 0.008349 0.41711 4.98615
329 1E1M FAD 0.02473 0.41064 5
330 1LSS NAD 0.005922 0.40697 5
331 3AD8 NAD 0.006275 0.42282 5.05051
332 4HXY NDP 0.006151 0.4196 5.05263
333 2XVE FAD 0.02206 0.41705 5.05263
334 1YKJ FAD 0.01868 0.42188 5.07614
335 1YKJ PHB 0.01868 0.42188 5.07614
336 3GGO NAI 0.003795 0.44045 5.09554
337 3GGO ENO 0.003795 0.44045 5.09554
338 1L5Y BEF 0.01383 0.40052 5.16129
339 1EK6 NAI 0.01042 0.4289 5.17241
340 1EK6 UPG 0.01379 0.42442 5.17241
341 2DFV NAD 0.00178 0.43977 5.18732
342 1NVM NAD 0.003706 0.43212 5.21739
343 3T7S SAM 0.004529 0.40829 5.22388
344 2VZ0 D64 0.04747 0.40802 5.22388
345 2VZ0 NAP 0.04747 0.40802 5.22388
346 5VKT NAP 0.0122 0.40483 5.24862
347 1GR0 NAD 0.001882 0.44684 5.26316
348 5DN9 NAD 0.003316 0.43433 5.26316
349 2E5V FAD 0.02099 0.40717 5.29661
350 2AG8 NAP 0.004465 0.41231 5.32319
351 1U7T TDT 0.01145 0.41788 5.36398
352 3CMC NAD 0.00701 0.4448 5.38922
353 4RVU NDP 0.0171 0.40275 5.42169
354 5U5G NAP 0.004031 0.42526 5.42373
355 3WGT FAD 0.03383 0.4004 5.4755
356 3WGT QSC 0.03505 0.4004 5.4755
357 3IT7 TLA 0.02556 0.40656 5.49451
358 3H4V DVP 0.01558 0.41245 5.55556
359 3H4V NAP 0.02127 0.40516 5.55556
360 2A92 NAI 0.003598 0.43147 5.60748
361 1RP0 AHZ 0.01186 0.4078 5.6338
362 1MV8 NAD 0.002823 0.42931 5.68421
363 4EDF UPG 0.02632 0.40411 5.68421
364 4PLG NAI 0.0039 0.43573 5.68862
365 4PLG OXM 0.04367 0.41131 5.68862
366 1N1G BCP 0.0187 0.40201 5.7377
367 3ZNN FAD 0.03566 0.40484 5.76369
368 3ZNN 4WL 0.03566 0.40484 5.76369
369 1GET FAD 0.04027 0.40699 5.77778
370 2XYQ SAH 0.006606 0.40123 5.86207
371 1ZH8 NAP 0.004331 0.42245 5.88235
372 5T9F TYR 0.01606 0.40713 5.89474
373 3ORF NAD 0.002544 0.43426 5.9761
374 5GM1 SAH 0.009065 0.40219 6.06061
375 3A06 FOM 0.009772 0.41614 6.11702
376 3A06 NDP 0.008762 0.41614 6.11702
377 3OND ADN 0.002126 0.45802 6.14754
378 5AYV KPL 0.01636 0.40471 6.14887
379 1F8F NAD 0.001331 0.44227 6.19946
380 3AFN NAP 0.01679 0.40202 6.20155
381 5O4J PJL 0.002155 0.44289 6.20438
382 5O4J SAH 0.002374 0.44221 6.20438
383 5O4J 9KH 0.002374 0.44221 6.20438
384 1P77 ATR 0.001849 0.4582 6.25
385 2NXE SAM 0.004615 0.40794 6.29921
386 2BRY FAD 0.003476 0.4334 6.31579
387 4RQU NAD 0.004149 0.4247 6.31579
388 4TXI FAD 0.005073 0.42466 6.31579
389 1EU1 MGD 0.008379 0.4203 6.31579
390 4ZA2 NAD 0.01052 0.40646 6.32411
391 1IY8 NAD 0.002392 0.43823 6.36704
392 5CAE SIN 0.01423 0.40532 6.38978
393 5CAE COA 0.01029 0.4013 6.38978
394 1WDK NAD 0.009559 0.40118 6.41026
395 3RFV NAI 0.002803 0.43093 6.52632
396 3RFV 15L 0.003277 0.42641 6.52632
397 1BZL FAD 0.03139 0.42399 6.52632
398 1P1C SAH 0.00639 0.40889 6.53266
399 1LDN NAD 0.005031 0.42356 6.64557
400 3VC1 SAH 0.0112 0.41739 6.73077
401 3WV8 ATP 0.006344 0.40387 6.73684
402 2GDZ NAD 0.008916 0.411 6.74157
403 1L3I SAH 0.01242 0.40054 6.77083
404 1VQW FAD 0.007644 0.41772 6.78337
405 3C6K MTA 0.005048 0.42944 6.82415
406 3C6K SPD 0.005048 0.42944 6.82415
407 2VYN NAD 0.001011 0.45231 6.88623
408 3B1F NAD 0.003475 0.41883 6.89655
409 2GVC FAD 0.007678 0.41763 6.93512
410 4XQC NAD 0.002363 0.4521 6.94737
411 4XQC 13D 0.003471 0.44516 6.94737
412 5JCA FAD 0.01982 0.4075 7.04225
413 5JCA NDP 0.03549 0.40742 7.04225
414 1OMO NAD 0.0005321 0.45818 7.14286
415 2Z3Y F2N 0.008303 0.4263 7.15789
416 4YRY NAD 0.02655 0.40913 7.24638
417 4YRY FAD 0.02355 0.40393 7.24638
418 4HSU FAD 0.01846 0.41068 7.25806
419 4GUT FAD 0.02176 0.40888 7.25806
420 4E5N NAD 0.002457 0.4377 7.27273
421 2V3B FAD 0.01078 0.41521 7.27273
422 2YVJ NAI 0.0045 0.40841 7.33945
423 3Q3C NAD 0.001416 0.43941 7.35786
424 5ITV NAI 0.001049 0.45448 7.45098
425 3EGV SAH 0.004335 0.41275 7.48299
426 2VPY MGD 0.04732 0.40233 7.69231
427 5I39 FAD 0.007646 0.42319 7.78947
428 2AG5 NAD 0.006329 0.41775 8.13008
429 4IF4 BEF 0.005837 0.42758 8.17308
430 3NTD FAD 0.02253 0.40122 8.21053
431 4YSX FAD 0.005975 0.43021 8.33333
432 5MDH NAD 0.005948 0.41627 8.40841
433 1AE1 NAP 0.001835 0.44609 8.42491
434 3JUC PCA 0.005588 0.44005 8.49673
435 3QV1 NAD 0.0007762 0.45266 8.53659
436 3HVJ 705 0.01318 0.40906 8.59729
437 2HJR APR 0.001711 0.40173 8.63158
438 4CJX NAP 0.007956 0.40775 8.77743
439 4R6W PC 0.02387 0.41069 8.91473
440 4R6W SAH 0.01483 0.40336 8.91473
441 3CTY FAD 0.009235 0.425 9.05263
442 4M7V RAR 0.02754 0.40153 9.14286
443 4II2 ATP 0.006542 0.40508 9.20245
444 5ODQ FAD 0.009545 0.42253 9.23913
445 2HK9 NAP 0.00149 0.44169 9.26316
446 9LDT NAD 0.002359 0.4385 9.26316
447 1H5Q NAP 0.01458 0.4013 9.43396
448 3WLE NAD 0.001822 0.44991 9.67742
449 2CDU FAD 0.01496 0.40755 9.68421
450 2CDU ADP 0.004112 0.40486 9.68421
451 4W6Z 8ID 0.005203 0.42883 9.79827
452 1UAY ADN 0.004474 0.41999 9.91736
453 3SJ7 NDP 0.004547 0.4229 9.92064
454 1E6E FAD 0.01602 0.40617 10.1562
455 1O97 AMP 0.03895 0.4023 10.2273
456 1O97 FAD 0.03895 0.4023 10.2273
457 1DMR PGD 0.01962 0.42319 10.3158
458 4GLL NAD 0.01565 0.40228 10.3858
459 4XB2 HSE 0.0009759 0.45728 10.4478
460 4XB2 NDP 0.001627 0.43503 10.4478
461 5DLY 5D7 0.01599 0.40916 10.5263
462 5DLY SAH 0.0151 0.40839 10.5263
463 5JY6 NAD 0.006942 0.43511 10.6742
464 3D3W NAP 0.01817 0.40044 11.0656
465 1X14 NAD 0.0006023 0.43959 11.4713
466 3GRU AMP 0.009946 0.40041 11.5254
467 3G89 SAM 0.01071 0.40252 11.6466
468 2GAG NAD 0.007546 0.42241 11.9048
469 1EDO NAP 0.007062 0.4181 12.2951
470 1I1N SAH 0.006718 0.4139 12.8319
471 1ZBQ NAD 0.002174 0.44143 12.8421
472 5E8J SAH 0.004942 0.418 31.8182
Pocket No.: 2; Query (leader) PDB : 1P31; Ligand: EPU; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 1p31.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JWC FAD 0.01979 0.40086 1.05263
2 1V59 NAD 0.002142 0.40224 1.47368
3 3QVP FAD 0.02798 0.4012 1.47368
4 4MO2 FDA 0.01004 0.41665 2.17391
5 4PNE SAH 0.007083 0.40692 2.31788
6 2VDV SAM 0.01177 0.40063 2.43902
7 1PN0 IPH 0.03324 0.40151 2.73684
8 1PN0 FAD 0.03208 0.40151 2.73684
9 1T9D P22 0.02475 0.40076 2.73684
10 2WPF FAD 0.04798 0.41396 2.94737
11 4K28 NAD 0.001354 0.40175 2.97398
12 1GUZ NAD 0.01175 0.40429 3.22581
13 2B6N ALA PRO THR 0.03659 0.40119 3.59712
14 5KMS NAD 0.006021 0.44338 3.7037
15 5EOW FAD 0.01917 0.40045 4
16 1JXN MFU 0.02569 0.40306 4.13223
17 5EZ7 FAD 0.02114 0.40347 4.33673
18 3ML1 MGD 0.04492 0.40674 4.44444
19 3JQ9 NAP 0.01395 0.40218 4.86111
20 3FZG SAM 0.008691 0.40299 5
21 2C7G ODP 0.01714 0.41911 5.26316
22 1GET NAP 0.03354 0.41209 5.77778
23 4YUW S4M 0.02427 0.43142 6.57895
24 4YUW 4JU 0.0247 0.43142 6.57895
25 3FGZ BEF 0.01612 0.40046 6.73684
26 4NON GDP 0.01288 0.40655 7.30769
27 4K7O EKZ 0.01767 0.40588 13.6905
28 3RNM FAD 0.0295 0.40011 29.3103
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