Receptor
PDB id Resolution Class Description Source Keywords
5N53 1.48 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE WITH N-(3-CHLORO-4-METHOXYPHENYL) ACETAMIDE HOMO SAPIENS DEHYDROGENASE SERINE METABOLISM FBDD OXIDOREDUCTASE
Ref.: VALIDATING AND ENABLING PHOSPHOGLYCERATE DEHYDROGEN (PHGDH) AS A TARGET FOR FRAGMENT-BASED DRUG DISCOVE PHGDH-AMPLIFIED BREAST CANCER. ONCOTARGET 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8NB A:301;
B:301;
Valid;
Valid;
none;
none;
Kd = 2.8 mM
199.634 C9 H10 Cl N O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N53 1.48 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE WITH N-(3-CHLORO-4-METHOXYPHENYL) ACETAMIDE HOMO SAPIENS DEHYDROGENASE SERINE METABOLISM FBDD OXIDOREDUCTASE
Ref.: VALIDATING AND ENABLING PHOSPHOGLYCERATE DEHYDROGEN (PHGDH) AS A TARGET FOR FRAGMENT-BASED DRUG DISCOVE PHGDH-AMPLIFIED BREAST CANCER. ONCOTARGET 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5N53 Kd = 2.8 mM 8NB C9 H10 Cl N O2 CC(=O)Nc1c....
2 5NZP Kd = 6.5 mM 9EW C7 H5 N O2 c1ccc2c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5N53 Kd = 2.8 mM 8NB C9 H10 Cl N O2 CC(=O)Nc1c....
2 5NZP Kd = 6.5 mM 9EW C7 H5 N O2 c1ccc2c(c1....
3 5OFV Kd = 26.2 mM 9TZ C8 H7 F O2 Cc1ccc(cc1....
4 5OFW Kd = 1.6 mM 9TW C7 H5 Cl F N O c1cc(c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5N53 Kd = 2.8 mM 8NB C9 H10 Cl N O2 CC(=O)Nc1c....
2 5NZP Kd = 6.5 mM 9EW C7 H5 N O2 c1ccc2c(c1....
3 5OFV Kd = 26.2 mM 9TZ C8 H7 F O2 Cc1ccc(cc1....
4 5OFW Kd = 1.6 mM 9TW C7 H5 Cl F N O c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8NB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8NB 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N53; Ligand: 8NB; Similar sites found: 707
This union binding pocket(no: 1) in the query (biounit: 5n53.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T2Z 017 0.009223 0.43681 None
2 4NBU NAI 0.014 0.43109 None
3 1LN1 DLP 0.01478 0.43078 None
4 4M8X KGQ 0.02074 0.42866 None
5 2PXX SAH 0.01103 0.42179 None
6 4NJS G08 0.02392 0.41792 None
7 3T3C 017 0.02186 0.41741 None
8 3GGU 017 0.02368 0.41486 None
9 2P3B 3TL 0.04195 0.41155 None
10 2PHR MAN MAN 0.009852 0.40813 None
11 2AR6 NAG MAN MAN MAN NAG 0.01992 0.40721 None
12 1S17 GNR 0.02156 0.40602 None
13 3DUW SAH 0.02377 0.40591 None
14 2PHW MAN MAN MAN BMA MAN MAN MAN 0.01348 0.40563 None
15 3S43 478 0.03832 0.40553 None
16 2PHT MAN MAN MAN BMA MAN 0.01367 0.40532 None
17 2PHF MAN MAN BMA MAN 0.01256 0.40464 None
18 1Q8P MAN MMA 0.01099 0.40441 None
19 2AUY NAG MAN MMA 0.01584 0.40375 None
20 3U7S 017 0.03228 0.40331 None
21 2PHR MAN MAN BMA MAN 0.01338 0.40328 None
22 2PHF MAN MAN 0.01249 0.40277 None
23 2PHU MAN MAN MAN BMA MAN 0.01535 0.40265 None
24 3GPO APR 0.03821 0.40015 None
25 2O4N TPV 0.041 0.40006 None
26 4M73 M72 0.005542 0.46153 1.02564
27 4BV6 FAD 0.006398 0.46046 1.02564
28 4M73 SAH 0.006357 0.45702 1.02564
29 4XBA 5GP 0.01116 0.41449 1.02564
30 2CVQ NDP 0.04366 0.40251 1.02564
31 4YUW 4JU 0.005174 0.49794 1.53846
32 4YUW S4M 0.005088 0.49794 1.53846
33 4DSG UDP 0.007645 0.47068 1.53846
34 4DSG FAD 0.007645 0.47068 1.53846
35 5KVS 6XR 0.006807 0.45003 1.53846
36 5KVS NAP 0.004426 0.44923 1.53846
37 3A4T SFG 0.01653 0.41391 1.53846
38 4EBZ NAG NAG NAG NAG 0.01098 0.40905 1.53846
39 3FZG SAM 0.01569 0.40791 1.53846
40 2BOY BHO 0.01417 0.40551 1.53846
41 3QJ4 FAD 0.001366 0.49515 2.05128
42 5O4J 9KH 0.003319 0.46882 2.05128
43 5O4J SAH 0.003319 0.46882 2.05128
44 5O4J PJL 0.003582 0.46587 2.05128
45 3NYC IAR 0.01656 0.44439 2.05128
46 3NYC FAD 0.01656 0.44439 2.05128
47 5A3B APR 0.03002 0.40873 2.05128
48 4M38 SAH 0.02121 0.40783 2.05128
49 1IM8 SAI 0.02598 0.40451 2.05128
50 4ZCC NAI 0.0001414 0.56187 2.38095
51 4ZCC FAD 0.0001414 0.56187 2.38095
52 2VVM FAD 0.001279 0.49797 2.5641
53 2VVL FAD 0.002204 0.48559 2.5641
54 4USR FAD 0.001807 0.48125 2.5641
55 5JWC FAD 0.002427 0.47777 2.5641
56 4J36 1HR 0.004196 0.47286 2.5641
57 4J36 FAD 0.002928 0.47104 2.5641
58 3P2E SAH 0.002585 0.45704 2.5641
59 1GUZ NAD 0.005874 0.44866 2.5641
60 3WMX NAD 0.009624 0.43455 2.5641
61 3HDY GDU 0.03399 0.4318 2.5641
62 1MXH DHF 0.01801 0.43055 2.5641
63 1S9A BEZ 0.004512 0.42634 2.5641
64 3HDY FAD 0.04665 0.42356 2.5641
65 4RQU NAD 0.01972 0.42154 2.5641
66 1Q7B NAP 0.02625 0.4135 2.5641
67 5AGR A52 0.01368 0.41167 2.5641
68 1PL6 572 0.03676 0.40995 2.5641
69 1PL6 NAD 0.02255 0.4083 2.5641
70 1QFY NAP 0.04652 0.40818 2.5641
71 1QFY FAD 0.04652 0.40818 2.5641
72 4CE5 PDG 0.03163 0.40447 2.5641
73 2IMI GSH 0.02107 0.40378 2.5641
74 2A8Y MTA 0.02428 0.40375 2.5641
75 5D9G GLU ASN LEU TYR PHE GLN 0.01633 0.40015 2.5641
76 2FZW NAD 0.02669 0.4283 2.68097
77 3OA2 NAD 0.0000412 0.56645 3.07692
78 1X14 NAD 0.00001927 0.5623 3.07692
79 4PLT NAI 0.0003409 0.54306 3.07692
80 4PLT OXM 0.0003479 0.54089 3.07692
81 3GFB NAD 0.0005754 0.50328 3.07692
82 2NPX NAD 0.002378 0.49875 3.07692
83 1D4D FAD 0.003023 0.48085 3.07692
84 2IVD FAD 0.002252 0.47891 3.07692
85 3H2B SAH 0.001021 0.47722 3.07692
86 1EBF NAD 0.001329 0.47673 3.07692
87 2NPX FAD 0.003112 0.47412 3.07692
88 5MBX FAD 0.007587 0.46432 3.07692
89 5MBX SP5 0.007587 0.46432 3.07692
90 5BVA FAD 0.006455 0.46248 3.07692
91 1TPY SAH 0.002666 0.45833 3.07692
92 2YY7 NAD 0.005105 0.45407 3.07692
93 1U8X NAD 0.005605 0.44767 3.07692
94 2Y6Q FAD 0.00823 0.44517 3.07692
95 2Y6Q I7T 0.01449 0.44517 3.07692
96 5GT9 NAP 0.008485 0.44349 3.07692
97 3E1T FAD 0.01621 0.43942 3.07692
98 3G89 SAM 0.003492 0.43911 3.07692
99 1AE1 NAP 0.0114 0.43833 3.07692
100 5BR7 FAD 0.03654 0.43168 3.07692
101 5BR7 FLC 0.03654 0.43168 3.07692
102 4ER2 IVA VAL VAL STA ALA STA 0.01978 0.43093 3.07692
103 1U1F 183 0.02809 0.42765 3.07692
104 4O0L NDP 0.01677 0.4257 3.07692
105 1YJQ NAP 0.02033 0.42437 3.07692
106 4RPL FAD 0.04927 0.42432 3.07692
107 4JSR 1NQ 0.0378 0.42338 3.07692
108 2EJU SAH 0.009496 0.42302 3.07692
109 4MXP DB4 0.008691 0.42033 3.07692
110 2VNI FAD 0.03677 0.41474 3.07692
111 2VNI A2P 0.03677 0.41474 3.07692
112 4R6W SAH 0.02862 0.41454 3.07692
113 4MFZ MFK 0.02499 0.41398 3.07692
114 3EGI ADP 0.007114 0.41374 3.07692
115 2QTZ NAP 0.04057 0.41119 3.07692
116 3U2U UDP 0.03355 0.41114 3.07692
117 1XKQ NDP 0.03752 0.40936 3.07692
118 5X20 NAD 0.03724 0.40207 3.07692
119 3KXC PLM 0.02069 0.4136 3.16456
120 1DR1 NAP 0.03059 0.41926 3.1746
121 1DR1 HBI 0.03059 0.41926 3.1746
122 2VT3 ATP 0.000001399 0.61117 3.58974
123 2A92 NAI 0.0001102 0.54579 3.58974
124 3WV8 ATP 0.0001619 0.52021 3.58974
125 1UP7 NAD 0.0002948 0.5145 3.58974
126 1RSG FAD 0.001764 0.491 3.58974
127 3WGT QSC 0.00355 0.48098 3.58974
128 3WGT FAD 0.003428 0.48098 3.58974
129 1E6E FAD 0.002203 0.4803 3.58974
130 2O07 MTA 0.001536 0.47944 3.58974
131 2O07 SPD 0.001738 0.47944 3.58974
132 5KVA SAM 0.001382 0.47439 3.58974
133 3NTD FAD 0.004756 0.46505 3.58974
134 1KQF MGD 0.004878 0.46017 3.58974
135 2FK8 SAM 0.002303 0.45986 3.58974
136 4HA6 FAD 0.00797 0.45862 3.58974
137 2AE2 NAP 0.008797 0.45175 3.58974
138 2AE2 PTO 0.008797 0.45175 3.58974
139 2IVF MD1 0.00936 0.44401 3.58974
140 3NT6 FAD 0.01179 0.44392 3.58974
141 5K8V 6RE 0.02267 0.43853 3.58974
142 1GET FAD 0.03072 0.43826 3.58974
143 1GET NAP 0.03207 0.43826 3.58974
144 1SQF SAM 0.009518 0.42273 3.58974
145 1QAN SAH 0.01403 0.42028 3.58974
146 5DWQ SFG 0.01787 0.41698 3.58974
147 3GDH SAH 0.02132 0.41439 3.58974
148 4G6I RS3 0.02937 0.41423 3.58974
149 5DX0 SFG 0.02184 0.41391 3.58974
150 3WDM ADN 0.03466 0.4109 3.58974
151 1V2F HCI 0.01264 0.40383 3.58974
152 5JFL NAD 0.03909 0.40378 3.58974
153 2I6A 5I5 0.02134 0.4037 3.58974
154 2APC UDM 0.0286 0.40139 3.58974
155 2AKO ADP 0.02399 0.40006 3.58974
156 3MN5 LAB 0.01368 0.40004 3.58974
157 3DFR NDP 0.03034 0.40769 3.7037
158 1HN4 MJI 0.0258 0.44119 3.81679
159 1P9P SAH 0.02755 0.40082 3.83142
160 2HKA C3S 0.0179 0.41023 3.84615
161 4KM2 ATR 0.04892 0.40849 3.91061
162 4KM2 TOP 0.04522 0.40273 3.91061
163 2P3C 3TL 0.02792 0.42121 4.0404
164 2VHW NAI 0.0001135 0.55279 4.10256
165 1P1C SAH 0.0000556 0.55005 4.10256
166 1KYQ NAD 0.0000339 0.54987 4.10256
167 2PV7 NAD 0.0007218 0.49775 4.10256
168 1WDK NAD 0.0009411 0.48409 4.10256
169 1EZ4 NAD 0.001121 0.48407 4.10256
170 1LDN NAD 0.002228 0.4741 4.10256
171 5HSA FAS 0.004282 0.4721 4.10256
172 3ICS FAD 0.00446 0.46676 4.10256
173 3ICR FAD 0.004325 0.46641 4.10256
174 2HK9 NAP 0.002722 0.46539 4.10256
175 3ICT FAD 0.004543 0.46532 4.10256
176 3ICS ADP 0.001388 0.46004 4.10256
177 3ICT ADP 0.001679 0.45564 4.10256
178 1L1E SAH 0.004487 0.44429 4.10256
179 1XCL SAH 0.009208 0.44249 4.10256
180 1NAA 6FA 0.01937 0.43667 4.10256
181 1NAA ABL 0.02553 0.43667 4.10256
182 5I39 FAD 0.01886 0.43213 4.10256
183 5AE2 FYC 0.04118 0.43191 4.10256
184 5AE2 FAD 0.04118 0.43191 4.10256
185 3GMB FAD 0.01693 0.43001 4.10256
186 2X6T NAP 0.01487 0.42977 4.10256
187 2V0C ANZ 0.006595 0.429 4.10256
188 4FZV SAM 0.009323 0.42638 4.10256
189 4D7E FAD 0.02148 0.42613 4.10256
190 1EQ2 NAP 0.01809 0.42404 4.10256
191 2CUL FAD 0.02553 0.42135 4.10256
192 1WP4 NDP 0.02049 0.4173 4.10256
193 1U3U BNF 0.04057 0.41729 4.10256
194 1U3U NAD 0.04057 0.41729 4.10256
195 4TQG NDP 0.02744 0.41258 4.10256
196 3KJS NAP 0.03069 0.41029 4.10256
197 3KJS DQ1 0.0485 0.41029 4.10256
198 4GOX A3P 0.02275 0.41006 4.10256
199 1GEG NAD 0.03134 0.40919 4.10256
200 1Z3C SA8 0.03526 0.40843 4.10256
201 4PW3 MSS 0.02198 0.40791 4.10256
202 4PW9 MSS 0.02451 0.40695 4.10256
203 4RIF 3R2 0.03064 0.40627 4.10256
204 2VZZ SCA 0.03416 0.40614 4.10256
205 2CVZ NDP 0.03708 0.40188 4.10256
206 1L3I SAH 0.00443 0.45159 4.16667
207 4JJF FE9 0.00002982 0.57219 4.61538
208 4JJF N2I 0.0000347 0.57219 4.61538
209 1X7D ORN 0.0002499 0.53418 4.61538
210 3HAD NAD 0.0004875 0.5309 4.61538
211 1X7D NAD 0.0001869 0.52957 4.61538
212 3O9Z NAD 0.0004789 0.52757 4.61538
213 3O9Z AKG 0.0004717 0.52696 4.61538
214 1JQ3 AAT 0.001085 0.49253 4.61538
215 5TS5 FAD 0.002211 0.48531 4.61538
216 1X87 NAD 0.001128 0.47919 4.61538
217 3AB1 FAD 0.003948 0.47115 4.61538
218 1KPG SAH 0.002463 0.4602 4.61538
219 1KPH SAH 0.003468 0.45215 4.61538
220 1ZH8 NAP 0.005 0.4519 4.61538
221 4U8P FDA 0.0204 0.44939 4.61538
222 4U8P UDP 0.02131 0.44939 4.61538
223 4EIP FAD 0.01467 0.44538 4.61538
224 4EIP K2C 0.01467 0.44538 4.61538
225 2XVF FAD 0.01093 0.44403 4.61538
226 5KKA 6V0 0.008148 0.44372 4.61538
227 2GLX NDP 0.007573 0.43922 4.61538
228 3KA2 2NC 0.02185 0.43583 4.61538
229 4C3Y FAD 0.02569 0.42642 4.61538
230 4C3Y ANB 0.03067 0.42613 4.61538
231 4XUC SAM 0.0211 0.42535 4.61538
232 4XUC 43G 0.0211 0.42535 4.61538
233 4KBS PX2 0.01998 0.42521 4.61538
234 3FSM 2NC 0.01956 0.42432 4.61538
235 3H4V DVP 0.02852 0.42403 4.61538
236 1DIG L37 0.02355 0.42161 4.61538
237 1DIG NAP 0.0225 0.42161 4.61538
238 3H4V NAP 0.03199 0.42036 4.61538
239 1BC5 SAH 0.01748 0.41711 4.61538
240 3QOX SAH 0.01838 0.41578 4.61538
241 2ZB4 NAP 0.0406 0.41325 4.61538
242 4PIO SAH 0.03196 0.41295 4.61538
243 4PIO AVI 0.03046 0.41295 4.61538
244 2ZIF SAM 0.01797 0.41253 4.61538
245 3RG9 NDP 0.03842 0.41178 4.61538
246 3RG9 WRA 0.04314 0.41178 4.61538
247 4BLW AMP 0.03864 0.41112 4.61538
248 4BLW SAH 0.0261 0.41112 4.61538
249 2BZG SAH 0.02109 0.40562 4.61538
250 1TLL NAP 0.03248 0.40521 4.61538
251 2A14 SAH 0.03048 0.40109 4.61538
252 3AI7 TPP 0.03836 0.40081 4.61538
253 1FFU FAD 0.02016 0.42741 4.90798
254 1JQ9 PHE LEU SER TYR LYS 0.02601 0.41876 4.95868
255 2J9D ADP 0.01484 0.41875 5.04202
256 1IDA 0PO 0.04758 0.40635 5.05051
257 1FND A2P 0.04634 0.40685 5.09554
258 1FND FAD 0.04634 0.40685 5.09554
259 1J0X NAD 0.0002995 0.53953 5.12821
260 5JCM NAD 0.004332 0.48794 5.12821
261 1NV8 MEQ 0.001433 0.48025 5.12821
262 1NV8 SAM 0.001527 0.48025 5.12821
263 2GVC FAD 0.001991 0.47987 5.12821
264 1VQW FAD 0.002002 0.47968 5.12821
265 2GV8 FAD 0.00236 0.47697 5.12821
266 3GRU AMP 0.001505 0.47392 5.12821
267 3WLE NAD 0.003293 0.47265 5.12821
268 1JG3 ADN 0.001266 0.46918 5.12821
269 3FPF TNA 0.004892 0.46488 5.12821
270 3FPF MTA 0.004892 0.46488 5.12821
271 4CNK FAD 0.005059 0.46371 5.12821
272 5JCM FAD 0.01054 0.46366 5.12821
273 5JCM ISD 0.0108 0.46366 5.12821
274 4MOP 2H5 0.00886 0.46082 5.12821
275 5EZ7 FAD 0.005958 0.45965 5.12821
276 1F8G NAD 0.002878 0.45634 5.12821
277 3KLJ FAD 0.006932 0.45032 5.12821
278 4YCA NDP 0.005114 0.44884 5.12821
279 2OOR NAD 0.004018 0.44832 5.12821
280 3CMC NAD 0.02791 0.44094 5.12821
281 3SSO SAH 0.0142 0.44078 5.12821
282 1K3T BRZ 0.01174 0.43831 5.12821
283 1L7E NAI 0.008582 0.43381 5.12821
284 1LVK MNT BEF 0.02598 0.43272 5.12821
285 2ZAT NAP 0.01304 0.43176 5.12821
286 1DMR PGD 0.04104 0.4288 5.12821
287 1G8K MGD 0.04937 0.42695 5.12821
288 4ITM ATP 0.01316 0.4245 5.12821
289 4P8K 38C 0.04374 0.41933 5.12821
290 4P8K FAD 0.04374 0.41933 5.12821
291 2GMH FAD 0.04325 0.41898 5.12821
292 3ZOK NAD 0.02709 0.41532 5.12821
293 4NTC FAD 0.04391 0.41371 5.12821
294 1G2O IMH 0.01286 0.41326 5.12821
295 1T9D FAD 0.04688 0.41208 5.12821
296 4X7G NAP 0.01634 0.41113 5.12821
297 3PT9 SAH 0.01752 0.41063 5.12821
298 5N5D SAM 0.02036 0.40913 5.12821
299 4YJK URA 0.003123 0.40767 5.12821
300 4YMH SAH 0.02446 0.40555 5.12821
301 2ACV UDP 0.01648 0.4052 5.12821
302 5XVK SAH 0.02795 0.40512 5.12821
303 1YNH SUO 0.03418 0.40244 5.12821
304 4GYW UDP 0.0477 0.40203 5.12821
305 5KY3 GFB 0.03274 0.40104 5.12821
306 2XYQ SAH 0.02692 0.40099 5.12821
307 4EKQ NPO 0.007523 0.4269 5.34759
308 1EJ0 SAM 0.01846 0.40794 5.55556
309 1N71 COA 0.02453 0.40454 5.55556
310 2W9S NDP 0.01798 0.4206 5.59006
311 1OMO NAD 0.00003319 0.56414 5.64103
312 3VPH OXM 0.0001996 0.53639 5.64103
313 3CIF NAD 0.0002457 0.52542 5.64103
314 3CIF G3H 0.0003647 0.52501 5.64103
315 4ZVV NAD 0.0009568 0.5202 5.64103
316 4ZVV GN0 0.0009568 0.5202 5.64103
317 2DFV NAD 0.0004304 0.5105 5.64103
318 3AYI FAD 0.001886 0.49913 5.64103
319 3AYI HCI 0.001949 0.49913 5.64103
320 1ZMD FAD 0.002189 0.48863 5.64103
321 2F5Z FAD 0.002209 0.48845 5.64103
322 3RNM FAD 0.002481 0.48565 5.64103
323 2RGO FAD 0.001985 0.48432 5.64103
324 2Q7V FAD 0.002751 0.48156 5.64103
325 4BVA NDP 0.002391 0.47431 5.64103
326 3VPH NAD 0.002554 0.47353 5.64103
327 1XTP SAI 0.00112 0.47235 5.64103
328 4BVA T3 0.003917 0.47091 5.64103
329 1ZMD NAI 0.001972 0.47078 5.64103
330 1O6Z NAD 0.003091 0.4578 5.64103
331 2IV2 2MD 0.005957 0.45183 5.64103
332 4WZ8 3W7 0.009303 0.45073 5.64103
333 1I1N SAH 0.006643 0.44486 5.64103
334 3G2O SAM 0.003911 0.44432 5.64103
335 3ABI NAD 0.008118 0.44333 5.64103
336 5ITV NAI 0.00907 0.44204 5.64103
337 3QWI CUE 0.01376 0.44123 5.64103
338 1YQZ FAD 0.02534 0.43956 5.64103
339 1GTE FAD 0.02755 0.43852 5.64103
340 5E9W SAH 0.005834 0.4298 5.64103
341 2ZFU SAH 0.009041 0.42951 5.64103
342 1EU1 MGD 0.02092 0.42719 5.64103
343 1G55 SAH 0.009751 0.42629 5.64103
344 3S5W FAD 0.01744 0.42582 5.64103
345 1R6T TYM 0.02565 0.42185 5.64103
346 5DH3 5BS 0.01368 0.41788 5.64103
347 1R6U TYM 0.02161 0.41295 5.64103
348 3VC1 SAH 0.0487 0.41036 5.64103
349 3VC1 GST 0.0487 0.41036 5.64103
350 5I96 69Q 0.03352 0.40858 5.64103
351 2IV2 MGD 0.04577 0.40788 5.64103
352 3BGD PM6 0.03134 0.40783 5.64103
353 3C6K SPD 0.04488 0.4077 5.64103
354 3C6K MTA 0.04488 0.4077 5.64103
355 4ZRN NAD 0.04709 0.40626 5.64103
356 2AG5 NAD 0.0364 0.4062 5.64103
357 1ZBQ NAD 0.04424 0.40564 5.64103
358 3QWI NAP 0.04418 0.40485 5.64103
359 3BGD SAH 0.03297 0.40152 5.64103
360 5TUK FAD 0.04519 0.4003 5.64103
361 3Q9N COA 0.0009302 0.49063 5.67376
362 3IX9 NDP 0.03889 0.40259 5.78947
363 3JUQ AKD 0.01632 0.41763 5.94595
364 3JUQ AJD 0.01527 0.41763 5.94595
365 1T3Q FAD 0.01921 0.42936 5.95238
366 3LAD FAD 0.0007115 0.51559 6.15385
367 4M52 FAD 0.0008928 0.51034 6.15385
368 1HYH NAD 0.000962 0.49368 6.15385
369 2Q0L FAD 0.002205 0.48638 6.15385
370 3HVJ 705 0.001961 0.48423 6.15385
371 4D79 ATP 0.0006915 0.48304 6.15385
372 4OPC FDA 0.009266 0.48151 6.15385
373 4OPC PGT 0.01037 0.48151 6.15385
374 5TTJ FAD 0.00236 0.48147 6.15385
375 1Q9I FAD 0.00468 0.48031 6.15385
376 1Q9I TEO 0.00468 0.48031 6.15385
377 1UWK URO 0.003759 0.47688 6.15385
378 1UWK NAD 0.003759 0.47688 6.15385
379 2A8X FAD 0.003924 0.47514 6.15385
380 1LLU NAD 0.003924 0.46566 6.15385
381 4AG8 AXI 0.007082 0.45075 6.15385
382 2PD4 DCN 0.007259 0.45061 6.15385
383 4Z24 FAD 0.01081 0.44882 6.15385
384 3VHE 42Q 0.009574 0.43797 6.15385
385 3JV7 NAD 0.0114 0.43608 6.15385
386 1FL2 FAD 0.01999 0.43105 6.15385
387 5TDF 7A3 0.006705 0.4309 6.15385
388 2B9W FAD 0.03068 0.43086 6.15385
389 5TV6 PML 0.003812 0.43007 6.15385
390 1GPE FAD 0.0289 0.42754 6.15385
391 1OFD AKG 0.02126 0.42258 6.15385
392 1N2X SAM 0.01635 0.4184 6.15385
393 1CDO NAD 0.02716 0.41136 6.15385
394 2FZH DH1 0.04859 0.40977 6.15385
395 3A28 NAD 0.03699 0.40574 6.15385
396 4ONQ SFG 0.02346 0.40437 6.15385
397 2D5A COA 0.0005093 0.49921 6.25
398 1Y8Q ATP 0.00000799 0.59737 6.66667
399 4K28 NAD 0.00002428 0.57398 6.66667
400 1V59 FAD 0.0001989 0.54848 6.66667
401 4XQC 13D 0.0002581 0.54203 6.66667
402 4XQC NAD 0.0003687 0.53264 6.66667
403 5U8U FAD 0.00308 0.49533 6.66667
404 4RDH AMP 0.0005528 0.48348 6.66667
405 4RDI ATP 0.000751 0.48118 6.66667
406 5G3U FDA 0.002409 0.4807 6.66667
407 3LXD FAD 0.003316 0.47142 6.66667
408 1E5Q NDP 0.004492 0.45688 6.66667
409 3UOY NAP 0.01444 0.45653 6.66667
410 3UOY FAD 0.01444 0.45653 6.66667
411 1V59 NAD 0.001765 0.45322 6.66667
412 5JY6 NAD 0.01432 0.44876 6.66667
413 4EMI FAD 0.015 0.43669 6.66667
414 4EMI NAD 0.02787 0.43669 6.66667
415 1N4W FAD 0.01808 0.43654 6.66667
416 5A04 NDP 0.02538 0.43584 6.66667
417 5A04 BGC 0.02876 0.43584 6.66667
418 1GJC 130 0.01074 0.4356 6.66667
419 5G3U ITW 0.0197 0.43537 6.66667
420 2YG3 FAD 0.01715 0.43369 6.66667
421 4EMJ FAD 0.02189 0.42826 6.66667
422 2ZYI STE 0.01018 0.42755 6.66667
423 2RGJ FAD 0.01938 0.42582 6.66667
424 4MFL MFK 0.02328 0.42446 6.66667
425 5WGR FAD 0.02984 0.42341 6.66667
426 4Q5M ROC 0.02278 0.41774 6.66667
427 1DQS NAD 0.03734 0.41615 6.66667
428 5EOW FAD 0.03565 0.41374 6.66667
429 1SOX MTE 0.01707 0.41284 6.66667
430 4GU5 FAD 0.02511 0.41242 6.66667
431 2OBD PCW 0.03224 0.40999 6.66667
432 2J4D FAD 0.03438 0.40515 6.66667
433 5HX8 66P 0.03768 0.40122 6.66667
434 2I7C AAT 0.0002867 0.52612 7.17949
435 1OBB NAD 0.001159 0.48113 7.17949
436 2YVJ NAI 0.001382 0.46808 7.17949
437 4YRY FAD 0.005124 0.46664 7.17949
438 5D4V SAH 0.002108 0.4638 7.17949
439 5MQ6 NDP 0.002657 0.45984 7.17949
440 4YRY NAD 0.01557 0.4488 7.17949
441 1COY FAD 0.01439 0.44061 7.17949
442 5AYV KPL 0.01297 0.43728 7.17949
443 1NHX PEP 0.01874 0.43437 7.17949
444 1NHX FTB 0.01943 0.43437 7.17949
445 3DMH GMP 0.01116 0.43279 7.17949
446 3DMH SAM 0.007537 0.43279 7.17949
447 4MIG G3F 0.02856 0.43096 7.17949
448 5TPR NAD 0.01402 0.4305 7.17949
449 3NKS FAD 0.02082 0.42917 7.17949
450 1WG8 SAM 0.01245 0.42669 7.17949
451 5U5G NAP 0.01642 0.424 7.17949
452 3VSE SAH 0.01214 0.41173 7.17949
453 1ZEM NAD 0.02375 0.41093 7.17949
454 4POO SAM 0.0257 0.4098 7.17949
455 4KRI SAH 0.02654 0.40412 7.17949
456 5AYV NAP 0.03106 0.4032 7.17949
457 4E93 GUI 0.04611 0.40215 7.17949
458 2A9D MTE 0.02736 0.40177 7.17949
459 1T0I FMN 0.02761 0.40013 7.32984
460 1HDC CBO 0.01943 0.4099 7.48031
461 1U70 NDP 0.02066 0.43353 7.52688
462 1U70 MTX 0.02066 0.43353 7.52688
463 1MV8 NAD 0.0004468 0.50651 7.69231
464 5BW4 SAM 0.0002891 0.50062 7.69231
465 3OJO NAD 0.00046 0.50001 7.69231
466 1MUU NAD 0.0009526 0.48773 7.69231
467 5VN0 NAI 0.005314 0.47777 7.69231
468 5VN0 FAD 0.003624 0.47077 7.69231
469 1DL5 SAH 0.005472 0.4478 7.69231
470 2VTD LKM 0.03693 0.42798 7.69231
471 4C4A SAH 0.01044 0.4234 7.69231
472 1NYT NAP 0.02483 0.41193 7.69231
473 4CJX NAP 0.0324 0.40559 7.69231
474 4BQS K2Q 0.01438 0.40305 7.95455
475 5T67 JHZ 0.001229 0.50592 8.20513
476 5T67 SAH 0.001074 0.50417 8.20513
477 1PZG A3D 0.002118 0.48271 8.20513
478 2HJR APR 0.0009912 0.48205 8.20513
479 2CDC XYS 0.005817 0.47944 8.20513
480 2CDC NAP 0.005817 0.47944 8.20513
481 2CDC XYP 0.005852 0.479 8.20513
482 2F1K NAP 0.001592 0.4767 8.20513
483 2JHF NAD 0.0169 0.47606 8.20513
484 3ZNN 4WL 0.0068 0.4701 8.20513
485 3ZNN FAD 0.0068 0.4701 8.20513
486 4TXI FAD 0.004488 0.4595 8.20513
487 2BRY FAD 0.005018 0.45842 8.20513
488 3CGB FAD 0.005921 0.45835 8.20513
489 1CF2 NAP 0.008505 0.43769 8.20513
490 1NPD NAD 0.009012 0.43451 8.20513
491 3X0D SAH 0.006643 0.43399 8.20513
492 4AUA 4AU 0.005991 0.43103 8.20513
493 1D1T NAD 0.01585 0.43084 8.20513
494 4QED NAP 0.01863 0.42249 8.20513
495 5E4R NAP 0.03637 0.406 8.20513
496 5BV3 M7G 0.02791 0.401 8.20513
497 2GAG NAD 0.0005657 0.51565 8.57143
498 2VPY MGD 0.01696 0.45191 8.69565
499 4J4H 1J1 0.00014 0.55982 8.71795
500 4J4H NAI 0.00014 0.55982 8.71795
501 4JK3 NAD 0.00005202 0.55757 8.71795
502 1FEC FAD 0.001802 0.49637 8.71795
503 4G74 FAD 0.002861 0.47492 8.71795
504 4G74 UQ5 0.004464 0.47492 8.71795
505 1QO8 FAD 0.004999 0.46778 8.71795
506 1VI2 NAD 0.007671 0.43538 8.71795
507 4MDH NAD 0.01085 0.43387 8.71795
508 2X3N FAD 0.01659 0.4329 8.71795
509 5MDH NAD 0.01428 0.42727 8.71795
510 3TKY SAH 0.01484 0.4163 8.71795
511 1E3I CXF 0.04199 0.41049 8.71795
512 1GZ6 NAI 0.03774 0.40868 8.71795
513 4D3F NAP 0.02814 0.40331 8.71795
514 4R84 CSF 0.02461 0.40019 8.71795
515 4J56 FAD 0.003051 0.48086 8.77193
516 3DZ6 M8E 0.01901 0.40755 8.95522
517 1I7M CG 0.01088 0.4071 8.95522
518 2I0D MUT 0.02889 0.43612 9.09091
519 4FWE FAD 0.00103 0.5061 9.23077
520 1DJN ADP 0.0006137 0.4946 9.23077
521 4GUS FAD 0.002122 0.4888 9.23077
522 1O94 ADP 0.000874 0.48811 9.23077
523 4HSU FAD 0.002247 0.48732 9.23077
524 3G5S FAD 0.002041 0.4845 9.23077
525 4GUT FAD 0.003075 0.48143 9.23077
526 5J60 FAD 0.003277 0.4762 9.23077
527 2ZJ1 ARJ 0.005454 0.47201 9.23077
528 2V3A FAD 0.004793 0.46479 9.23077
529 2ZJ1 NAD 0.007763 0.4631 9.23077
530 3FUU ADN 0.002042 0.46034 9.23077
531 1NVM NAD 0.007354 0.44613 9.23077
532 1PN0 IPH 0.01583 0.4445 9.23077
533 1PN0 FAD 0.01534 0.4445 9.23077
534 3L9W GSH 0.007959 0.44275 9.23077
535 3FWN ATR 0.01241 0.43718 9.23077
536 2AHR NAP 0.01248 0.43547 9.23077
537 4REP FAD 0.01866 0.43171 9.23077
538 3IHG FAD 0.01215 0.4314 9.23077
539 3L9W AMP 0.02849 0.41558 9.23077
540 4XDY NAI 0.02149 0.41533 9.23077
541 4L2I NAD 0.04613 0.41336 9.23077
542 5THQ NDP 0.04226 0.40326 9.55882
543 4YSX FAD 0.001159 0.50253 9.61539
544 2VYN NAD 0.0001701 0.53457 9.74359
545 4D04 NAP 0.004882 0.48321 9.74359
546 4D04 FAD 0.004882 0.48321 9.74359
547 4JNA FAD 0.002982 0.47948 9.74359
548 5CAE COA 0.001318 0.47812 9.74359
549 5CAE SIN 0.002167 0.47812 9.74359
550 2R4J FAD 0.008988 0.46077 9.74359
551 2R4J 13P 0.008988 0.46077 9.74359
552 1ELI PYC 0.01286 0.44172 9.74359
553 2WET FAD 0.01807 0.43546 9.74359
554 3EGV SAH 0.006109 0.4334 9.74359
555 2NXE SAM 0.007752 0.42962 9.74359
556 3LCV SAM 0.01146 0.42725 9.74359
557 4EDF UPG 0.03491 0.42256 9.74359
558 2DT5 NAD 0.0000703 0.55304 10.2564
559 3VYW SAM 0.0003732 0.50117 10.2564
560 1YY5 FAD 0.001628 0.49512 10.2564
561 2HQM FAD 0.00344 0.47698 10.2564
562 4IV9 FAD 0.005549 0.46225 10.2564
563 3L4S NAD 0.008014 0.44654 10.2564
564 3L4S 3PG 0.008421 0.44654 10.2564
565 2V6G NAP 0.01098 0.43649 10.2564
566 5DLY SAH 0.01642 0.43443 10.2564
567 5DLY 5D7 0.01807 0.43405 10.2564
568 3H9E NAD 0.03571 0.431 10.2564
569 3RLF MAL 0.003933 0.43018 10.2564
570 3HRD FAD 0.02349 0.42801 10.2564
571 3GDN HBX 0.03809 0.42396 10.2564
572 3GDN FAD 0.03177 0.42161 10.2564
573 2YYY NAP 0.02086 0.41798 10.2564
574 4N65 AQN 0.03354 0.40447 10.2564
575 4N65 FMN 0.04139 0.40341 10.2564
576 1LSS NAD 0.001586 0.46839 10.7143
577 3NJ4 NAD 0.002463 0.52199 10.7692
578 1I9G SAM 0.0003047 0.50621 10.7692
579 1XHC FAD 0.001417 0.49209 10.7692
580 3NJ4 AFX 0.00885 0.48882 10.7692
581 3DXY SAM 0.0008911 0.46796 10.7692
582 4RSL FAD 0.004385 0.46493 10.7692
583 5FJN FAD 0.008415 0.45602 10.7692
584 5FJN BE2 0.009376 0.45602 10.7692
585 4B4U NAP 0.01556 0.43044 10.7692
586 4MO2 FDA 0.02145 0.42764 10.7692
587 4MO2 FAD 0.02981 0.42047 10.7692
588 2OYS FMN 0.0143 0.41793 10.7692
589 2XIQ MLC 0.03431 0.40795 10.7692
590 5JE0 AZ8 0.04088 0.40546 10.7692
591 5JE0 SAH 0.04088 0.40546 10.7692
592 3N1S 5GP 0.01886 0.40314 10.9244
593 2B3D FAD 0.005256 0.44562 11.2745
594 4II2 ATP 0.00008407 0.5353 11.2821
595 3V1Y NAD 0.0002536 0.52163 11.2821
596 3NDJ JHZ 0.002058 0.49272 11.2821
597 3NDJ SAH 0.002058 0.49272 11.2821
598 2AOT SAH 0.0004297 0.48947 11.2821
599 5MZI FYK 0.01093 0.46034 11.2821
600 5MZI FAD 0.01064 0.46034 11.2821
601 1VM6 NAD 0.004337 0.45248 11.2821
602 5E1M SAH 0.01514 0.43382 11.2821
603 5E1M PRO PRO LYS ARG ILE ALA 0.01514 0.43382 11.2821
604 5KMS FAD 0.04454 0.40837 11.2821
605 1NVT NAP 0.02803 0.40751 11.2821
606 1RJD SAM 0.02917 0.40039 11.6766
607 4JDR FAD 0.003812 0.47325 11.7949
608 2ZXI FAD 0.007013 0.45396 11.7949
609 3EEL 53T 0.02838 0.4231 11.7949
610 3T7S SAM 0.01025 0.42298 11.7949
611 1RP7 TZD 0.01941 0.41761 11.7949
612 4QTU SAM 0.02467 0.40473 11.7949
613 1CM0 COA 0.009503 0.41757 11.9048
614 3CF6 SP1 0.009085 0.41982 11.976
615 2Z3Y F2N 0.002523 0.48363 12.3077
616 4AP3 FAD 0.006469 0.4734 12.3077
617 4AP3 NAP 0.006469 0.4734 12.3077
618 1H82 GZZ 0.0133 0.45361 12.3077
619 1H82 FAD 0.01164 0.45361 12.3077
620 5TUF TDC 0.0155 0.45187 12.3077
621 3WQQ IB3 0.03607 0.41898 12.3077
622 3WQQ NDP 0.03607 0.41898 12.3077
623 5TUF FAD 0.02975 0.41425 12.3077
624 4B1V LAB 0.04986 0.40078 12.5
625 1NM5 NAD 0.01526 0.44784 12.8205
626 2EV9 NAP 0.003681 0.46528 12.9278
627 2EV9 SKM 0.003681 0.46528 12.9278
628 5JCA FAD 0.001729 0.49343 13.3333
629 5JCA NDP 0.003068 0.49343 13.3333
630 2CDU FAD 0.001364 0.49264 13.3333
631 1U1I NAD 0.002005 0.48014 13.3333
632 2E5V FAD 0.003662 0.47616 13.3333
633 2IID PHE 0.005673 0.47238 13.3333
634 2IID FAD 0.005673 0.47238 13.3333
635 2CDU ADP 0.001386 0.46609 13.3333
636 5LD5 NAD 0.004487 0.44902 13.3333
637 1PS9 FAD 0.01608 0.43795 13.3333
638 3OFK SAH 0.009684 0.43013 13.3333
639 1PS9 NAP 0.01453 0.42581 13.3333
640 5TCI 79V 0.02523 0.40667 13.3333
641 5BUK FAD 0.01409 0.4429 13.8462
642 3FG2 FAD 0.04886 0.40332 13.8462
643 5LXT GTP 0.03337 0.43734 13.986
644 2HQU DUP 0.02425 0.40485 14.0244
645 3GD4 NAD 0.0125 0.46313 14.359
646 3GD4 FAD 0.008939 0.46313 14.359
647 1Q1R FAD 0.006366 0.45669 14.359
648 2V3B FAD 0.003681 0.47013 14.5455
649 1NCQ W11 0.01706 0.41091 14.7059
650 1ZQ9 SAM 0.0001988 0.51124 14.8718
651 2RAB NAD 0.01145 0.46272 14.8718
652 2RAB FAD 0.006574 0.46272 14.8718
653 1I8T FAD 0.02075 0.43077 14.8718
654 4V24 GYR 0.03655 0.40129 14.8718
655 2PT9 2MH 0.003847 0.46435 15.2648
656 2PT9 S4M 0.002422 0.46435 15.2648
657 3Q87 SAM 0.01168 0.42584 15.2941
658 3H8V ATP 0.000008346 0.58336 15.3846
659 5L95 AMP 0.000147 0.52101 15.3846
660 3QV1 NAD 0.004788 0.45099 15.8537
661 5JE8 NAD 0.000168 0.52662 15.8974
662 2WPF FAD 0.003984 0.50226 15.8974
663 2WPF WPF 0.0048 0.49919 15.8974
664 4RVG SAM 0.001507 0.49719 15.8974
665 4RVG TYD 0.001638 0.49719 15.8974
666 1TD2 PXL 0.006091 0.41934 15.8974
667 5M67 NAD 0.0005223 0.52878 16.4103
668 5M67 3D1 0.0005581 0.52718 16.4103
669 5M67 ADE 0.0005929 0.52559 16.4103
670 3AD8 NAD 0.0007291 0.50522 16.4103
671 4XYM COA 0.003375 0.47571 16.4103
672 4XZ3 COA 0.001796 0.46855 16.4103
673 4XB2 NDP 0.004882 0.44643 16.4103
674 4XB2 HSE 0.007865 0.44643 16.4103
675 1N62 FAD 0.017 0.43332 16.4103
676 1SZD APR 0.04138 0.41042 16.4103
677 4BJ8 BTN 0.01283 0.41221 16.6667
678 3OND ADN 0.0006366 0.52276 16.9231
679 3OND NAD 0.0006366 0.52276 16.9231
680 2E7Z MGD 0.003402 0.47033 16.9231
681 5TVF CGQ 0.01296 0.40818 16.9231
682 4B7X NAP 0.02087 0.42287 17.4359
683 3TWO NDP 0.02806 0.41826 18.4615
684 1V8B NAD 0.000363 0.52444 18.9744
685 1JQD SAH 0.001092 0.49044 18.9744
686 1JQD HSM 0.019 0.41906 18.9744
687 3SQP FAD 0.01167 0.4918 20
688 2DC1 NAD 0.007699 0.44091 21.5385
689 2G5C NAD 0.0000486 0.56338 22.0513
690 3GGO NAI 0.001337 0.498 22.5641
691 3GGO ENO 0.001337 0.498 22.5641
692 2JB2 PHE 0.02639 0.42618 22.5641
693 2JB2 FAD 0.02543 0.42618 22.5641
694 1BW9 NAD 0.002922 0.45718 23.0769
695 1C1X NAD 0.006103 0.44615 23.0769
696 1BXG NAD 0.006646 0.44423 23.0769
697 5UAV NDP 0.001387 0.49201 24.1026
698 5UAV TFB 0.001387 0.49201 24.1026
699 2B4R AES 0.0003457 0.51874 25.641
700 2B4R NAD 0.0004511 0.51383 25.641
701 4L8V NAP 0.008809 0.44006 25.641
702 3ORF NAD 0.01082 0.4345 26.1538
703 2O4C NAD 0.00001309 0.5968 32.8205
704 1J49 NAD 0.00001247 0.59424 44.6154
705 4XYB NDP 0.00002414 0.58636 47.6923
706 5DN9 NAD 0.0000003613 0.68629 48.2051
707 2NAD NAD 0.00002736 0.58527 49.2308
Pocket No.: 2; Query (leader) PDB : 5N53; Ligand: 8NB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5n53.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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