Receptor
PDB id Resolution Class Description Source Keywords
3RO7 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE APOLIPOPROTEIN A-I BINDING PROTEI COMPLEX WITH THYMINE. MUS MUSCULUS ROSSMANN FOLD PROTEIN BINDING
Ref.: IDENTIFICATION OF UNKNOWN PROTEIN FUNCTION USING ME COCKTAIL SCREENING. STRUCTURE V. 20 1715 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TDR A:300;
Valid;
none;
submit data
126.113 C5 H6 N2 O2 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RO7 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE APOLIPOPROTEIN A-I BINDING PROTEI COMPLEX WITH THYMINE. MUS MUSCULUS ROSSMANN FOLD PROTEIN BINDING
Ref.: IDENTIFICATION OF UNKNOWN PROTEIN FUNCTION USING ME COCKTAIL SCREENING. STRUCTURE V. 20 1715 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3RO7 - TDR C5 H6 N2 O2 CC1=CNC(=O....
2 3ROG - T3P C10 H15 N2 O8 P CC1=CN(C(=....
3 3ROX - TEP C7 H8 N4 O2 CN1c2c([nH....
4 3RNO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3RO7 - TDR C5 H6 N2 O2 CC1=CNC(=O....
2 3ROG - T3P C10 H15 N2 O8 P CC1=CN(C(=....
3 3ROX - TEP C7 H8 N4 O2 CN1c2c([nH....
4 3RNO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3RO7 - TDR C5 H6 N2 O2 CC1=CNC(=O....
2 3ROG - T3P C10 H15 N2 O8 P CC1=CN(C(=....
3 3ROX - TEP C7 H8 N4 O2 CN1c2c([nH....
4 3RNO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TDR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 TDR 1 1
2 IUR 0.483871 0.860465
3 WBU 0.451613 0.840909
4 URF 0.451613 0.860465
5 5UC 0.4375 0.860465
6 FYU 0.4 0.95
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RO7; Ligand: TDR; Similar sites found: 310
This union binding pocket(no: 1) in the query (biounit: 3ro7.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.0001763 0.54655 None
2 1A5V Y3 0.00124 0.4594 None
3 1OGD RIP 0.00226 0.44181 None
4 3UEC ALA ARG TPO LYS 0.006147 0.44031 None
5 3RF4 FUN 0.004134 0.43047 None
6 3SHR CMP 0.003188 0.42503 None
7 4K30 NLG 0.01227 0.40999 None
8 1O68 KIV 0.007434 0.41943 0.754717
9 2OHV NHL 0.002682 0.43317 0.757576
10 2RCN GDP 0.0005173 0.45714 1.13208
11 4M37 SAH 0.00105 0.41707 1.13208
12 1RZM E4P 0.01984 0.41581 1.13208
13 1B5E DCM 0.0041 0.42544 1.21951
14 4EXO PYR 0.01006 0.43648 1.36986
15 1WRA PC 0.01342 0.424 1.50943
16 2NCD ADP 0.01394 0.41237 1.50943
17 1LYX PGA 0.001515 0.42833 1.6129
18 1YRX FMN 0.0006107 0.44347 1.65289
19 1Z6K OAA 0.008012 0.4066 1.70648
20 2ZWS PLM 0.009045 0.46321 1.88679
21 1TDF FAD 0.00005136 0.45659 1.88679
22 1TDF NAP 0.0001903 0.45659 1.88679
23 4M5P 23W 0.007044 0.4442 1.88679
24 3CEV ARG 0.001483 0.44396 1.88679
25 3QV9 QV7 0.003181 0.44112 1.88679
26 4M5P MLA 0.01573 0.441 1.88679
27 1RYD GLC 0.004454 0.44055 1.88679
28 1V6A TRE 0.00466 0.43371 1.88679
29 2QV7 ADP 0.002323 0.41689 1.88679
30 2C5S AMP 0.007738 0.41386 1.88679
31 1NYT NAP 0.000446 0.41067 1.88679
32 1A59 COA 0.002109 0.41038 1.88679
33 3PLN U5P 0.01322 0.40858 1.88679
34 1EB9 HBA 0.001154 0.43777 1.9084
35 2JAR UMP 0.0002341 0.44414 2
36 3BY8 MLT 0.01784 0.41803 2.11268
37 3F81 STT 0.002203 0.47781 2.18579
38 1RYI GOA 0.002266 0.50199 2.26415
39 3TKA CTN 0.003086 0.48644 2.26415
40 2YIV YIV 0.001077 0.4848 2.26415
41 3BRE C2E 0.0008524 0.47374 2.26415
42 2EB5 OXL 0.001062 0.46934 2.26415
43 2VDJ HSE 0.003462 0.45957 2.26415
44 2YIV NBN 0.004201 0.44824 2.26415
45 3PNA CMP 0.004679 0.42303 2.26415
46 4P53 NAI 0.0001083 0.42186 2.26415
47 3T1A 5MA 0.001632 0.41431 2.26415
48 2DVZ GLU 0.006453 0.41257 2.26415
49 4HZO COA 0.0136 0.40804 2.26415
50 3PC3 P1T 0.001736 0.40587 2.26415
51 3W54 RNB 0.007695 0.40122 2.26415
52 3D2Y AH0 ALA FGA LYS 0.003765 0.40146 2.29885
53 3K3K A8S 0.002784 0.40246 2.36967
54 4KGM ATP 0.006164 0.40903 2.44898
55 3D3W NAP 0.00106 0.40014 2.45902
56 1M9H NAD 0.0006001 0.40021 2.51799
57 1MZV AMP 0.0001205 0.48284 2.55319
58 1Z42 HBA 0.001588 0.51309 2.64151
59 2IZ1 ATR 0.0005953 0.48095 2.64151
60 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.009606 0.44997 2.64151
61 4WBD ADP 0.004287 0.44782 2.64151
62 4WBD CIT 0.00621 0.44693 2.64151
63 1X8X TYR 0.0009716 0.44601 2.64151
64 1Z42 FMN 0.001041 0.43955 2.64151
65 3NNF AKG 0.005087 0.43787 2.64151
66 1Z44 FMN 0.001075 0.43406 2.64151
67 1Z41 FMN 0.001213 0.42742 2.64151
68 1Z48 FMN 0.001262 0.42678 2.64151
69 4NM5 ADP 0.0009082 0.41159 2.64151
70 3VCA PRO 0.01611 0.40715 2.64151
71 4HA6 FAD 0.001533 0.40665 2.64151
72 2YVF NAD 0.00529 0.40233 2.69608
73 2A2X NA9 0.003466 0.40274 2.7027
74 1B74 DGN 0.04844 0.40212 2.75591
75 4F8L GAL 0.01007 0.46054 2.75862
76 3LL5 IP8 0.04376 0.40152 2.81124
77 4QED NAP 0.0002235 0.40426 2.82258
78 3BHO B4P 0.02187 0.43319 2.88462
79 1XE7 GUN 0.03744 0.41375 2.95567
80 1QH9 LAC 0.004172 0.44186 3.01724
81 4B16 NAG 0.001101 0.50357 3.01887
82 3U1T MLI 0.0008259 0.48209 3.01887
83 1ZED PNP 0.001678 0.46734 3.01887
84 2BO4 FLC 0.002371 0.46015 3.01887
85 1CKM GTP 0.0006574 0.45875 3.01887
86 3ZGE ASP 0.00619 0.447 3.01887
87 3P3N AKG 0.006137 0.4341 3.01887
88 2QJN KDG 0.001392 0.42975 3.01887
89 4LIT AKG 0.008579 0.42184 3.01887
90 1H2M OGA 0.0118 0.42094 3.01887
91 2O66 FLC 0.01032 0.41825 3.01887
92 3NFZ 3NF 0.003939 0.41672 3.01887
93 1WNG SAH 0.001268 0.41424 3.01887
94 1YBH FAD 0.0007231 0.41257 3.01887
95 4B7E OGA 0.01403 0.41225 3.01887
96 2B7N NTM 0.01649 0.4091 3.01887
97 4KCT PYR 0.01025 0.40873 3.01887
98 3ULK NDP 0.001132 0.40846 3.01887
99 1P72 ADP 0.0004882 0.40743 3.01887
100 3LM9 ADP 0.006834 0.40726 3.01887
101 3GJB AKG 0.01124 0.40704 3.01887
102 4PLG NAI 0.001344 0.40196 3.01887
103 4PLG OXM 0.001344 0.40196 3.01887
104 1VE3 SAM 0.003587 0.40221 3.0837
105 3B9Z CO2 0.006924 0.43167 3.09278
106 2JBH 5GP 0.0006275 0.4596 3.11111
107 1Y7P RIP 0.001046 0.46963 3.13901
108 1YOA FMN 0.0108 0.45882 3.14465
109 2HJ3 FAD 0.001392 0.40909 3.2
110 2Q37 3AL 0.0121 0.41515 3.31492
111 2DTJ THR 0.001733 0.4358 3.37079
112 4U9W SER GLY ARG GLY LYS NH2 0.01359 0.41542 3.38164
113 4U9W COA 0.003918 0.40453 3.38164
114 2P69 PLP 0.001956 0.45056 3.39623
115 1T10 F6P 0.002041 0.44973 3.39623
116 2VAR AMP 0.001696 0.43618 3.39623
117 3LTW HLZ 0.007899 0.42902 3.39623
118 4CCO OGA 0.004574 0.42857 3.39623
119 2VAR KDF 0.002355 0.42554 3.39623
120 1Z4V DAN 0.00295 0.42168 3.39623
121 4IHQ ADP 0.006487 0.41707 3.39623
122 4ASJ N6A 0.000641 0.41285 3.39623
123 4CCN OGA 0.02496 0.40578 3.39623
124 4WB7 ATP 0.007229 0.40425 3.39623
125 1H0C AOA 0.03685 0.40276 3.39623
126 2VAR KDG 0.01038 0.40007 3.39623
127 3ZUY TCH 0.009334 0.40603 3.40557
128 4P9Z NMI PTR 02K ASN NH2 0.007182 0.42008 3.4188
129 2FR6 CTN 0.003401 0.40303 3.42466
130 2VQ5 LDP 0.008248 0.44808 3.48259
131 2VQ5 HBA 0.01335 0.42412 3.48259
132 3SCH TB6 0.01866 0.41167 3.53535
133 1ZZ7 S0H 0.01169 0.4109 3.53535
134 3KJQ B94 0.006686 0.40763 3.65854
135 3E81 SLB 0.01913 0.40619 3.65854
136 1T0I FMN 0.002832 0.40584 3.66492
137 3MTW M3R 0.0009287 0.43175 3.72208
138 1GJW GLC 0.0001233 0.52163 3.77358
139 1GJW MAL 0.00145 0.43894 3.77358
140 4M51 BEZ 0.009951 0.43671 3.77358
141 1SQ5 PAU 0.003708 0.43251 3.77358
142 2YCD GTB 0.003094 0.42087 3.77358
143 3SIX GDP 0.006787 0.40738 3.77358
144 1SQ5 ADP 0.00974 0.40116 3.77358
145 1QD0 RR6 0.004953 0.41279 3.90625
146 1SS4 CIT 0.000007073 0.68203 3.92157
147 1SS4 GSH 0.002724 0.49844 3.92157
148 2YDW WSH 0.008843 0.40699 3.92157
149 4IXW IXW 0.008457 0.41224 3.93701
150 2E1A MSE 0.002256 0.43632 4
151 1EDO NAP 0.00622 0.40383 4.09836
152 1NU4 MLA 0.00006489 0.58469 4.12371
153 1T0S BML 0.001484 0.47787 4.15094
154 3L24 GOA 0.002855 0.47197 4.15094
155 2ZJ5 ADP 0.0009101 0.4654 4.15094
156 3L6R MLI 0.002009 0.46359 4.15094
157 3SQG COM 0.008824 0.45464 4.15094
158 2IMP NAI 0.00102 0.43559 4.15094
159 4DYO SD4 0.003002 0.43111 4.15094
160 3P7I P7I 0.005012 0.42685 4.15094
161 4JWX 1N4 0.006214 0.4228 4.15094
162 1D6H COA 0.000619 0.41907 4.15094
163 1K6M AGS 0.00174 0.40584 4.15094
164 5EQU AKG 0.0296 0.41296 4.2623
165 2WCI GSH 0.004355 0.43502 4.44444
166 1O9U ADZ 0.002364 0.47623 4.5283
167 3MAG 3MA 0.01115 0.44913 4.5283
168 2XDQ MGX 0.01051 0.44261 4.5283
169 3A1I UNU 0.005524 0.41532 4.5283
170 2ZO9 MLI 0.005539 0.41303 4.5283
171 1Z45 GAL 0.01986 0.40088 4.5283
172 4BG1 OGA 0.002526 0.40039 4.5283
173 4BG1 IVL 0.002526 0.40039 4.5283
174 3DX5 DHB 0.008764 0.40715 4.54545
175 2BZ1 TAU 0.001849 0.50232 4.59184
176 1W3R PYR 0.03139 0.41167 4.62963
177 1C0I FAD 0.0003891 0.42753 4.6832
178 1C0I BE2 0.0003891 0.42753 4.6832
179 1Y9Q MED 0.002162 0.45507 4.6875
180 1BTN I3P 0.006759 0.46667 4.71698
181 2YLD CMO 0.005171 0.43755 4.72441
182 1JH7 UVC 0.005998 0.4288 4.7619
183 3E6J DR2 0.04322 0.41361 4.80349
184 2JC9 ADN 0.001281 0.45247 4.90566
185 2Q3M MLA 0.009878 0.44401 4.90566
186 3WE0 FAD 0.0006124 0.41921 4.90566
187 1ZJ6 G3D 0.003482 0.41884 4.90566
188 9LDT OXM 0.04462 0.41619 4.90566
189 2W8Q SIN 0.01948 0.41619 4.90566
190 4RJK PYR 0.02993 0.41272 4.90566
191 3BK2 U5P 0.007926 0.40471 4.90566
192 1V5F TPP 0.03277 0.40203 4.90566
193 1V5F FAD 0.03277 0.40203 4.90566
194 4L6C 0BT 0.0002221 0.43164 4.9505
195 3I0O SMI 0.002003 0.4501 5.01475
196 3S9K CIT 0.001579 0.5095 5.08475
197 1D8C GLV 0.02101 0.44057 5.28302
198 4B3J ADP 0.01062 0.43902 5.28302
199 3ZPG 5GP 0.01502 0.43452 5.28302
200 1P7T PYR 0.02997 0.42679 5.28302
201 2C7G ODP 0.0007071 0.42663 5.28302
202 1UXG NAD 0.0004474 0.41784 5.28302
203 1UXG FUM 0.0004474 0.41784 5.28302
204 2PP3 LGT 0.003091 0.41645 5.28302
205 4IEE AGS 0.02207 0.41112 5.28302
206 4B9E FAH 0.01485 0.42188 5.31561
207 2HVK TBA 0.01704 0.41351 5.47945
208 1GXU 2HP 0.04461 0.40634 5.49451
209 3I6B KDO 0.01069 0.41258 5.55556
210 3SJ0 DXC 0.02389 0.41191 5.6338
211 1GPJ CIT 0.001785 0.45891 5.66038
212 4C2G ALA ALA ALA ALA 0.001051 0.45022 5.66038
213 2DWU DGL 0.003288 0.42946 5.66038
214 4O8A 2OP 0.02099 0.42694 5.66038
215 1H16 PYR 0.03181 0.41138 5.66038
216 2Q28 ADP 0.001965 0.40768 5.66038
217 1AUX AGS 0.00435 0.40288 5.66038
218 1FBL HTA 0.01236 0.40105 5.66038
219 1NF8 BOG 0.01332 0.42416 5.7971
220 2Q1A 2KT 0.002585 0.45148 6.03774
221 1DXY COI 0.0181 0.4303 6.03774
222 3GTD MLI 0.01265 0.41426 6.03774
223 1VDC FAD 0.002214 0.40535 6.03774
224 4J7H TLO 0.003345 0.40328 6.03774
225 4COQ SAN 0.004057 0.44242 6.07287
226 1LNX URI 0.004503 0.42886 6.17284
227 3RK0 AMP 0.0008981 0.44207 6.32911
228 1QDS PGA 0.009612 0.40551 6.3745
229 3OIG NAD 0.00229 0.413 6.39098
230 4W6Z ETF 0.002122 0.47865 6.41509
231 2OWZ CIT 0.0007441 0.47647 6.41509
232 1A27 EST 0.0003948 0.44561 6.41509
233 1DLJ UGA 0.0002871 0.43573 6.41509
234 1DLJ NAI 0.0002871 0.43573 6.41509
235 4E28 9MZ 0.01291 0.41912 6.41509
236 3F3E LEU 0.0007258 0.41018 6.41509
237 4E28 0MZ 0.0186 0.40674 6.41509
238 2Q09 DI6 0.01467 0.40217 6.41509
239 3I8P 840 0.00605 0.40136 6.41509
240 3CH5 GDP 0.0002028 0.46756 6.48148
241 4F4S EFO 0.004854 0.42745 6.57895
242 1GU3 BGC BGC BGC BGC BGC 0.004571 0.42858 6.71141
243 4G28 0W8 0.005591 0.41979 6.71141
244 3DGB MUC 0.004217 0.41555 6.79245
245 3AYS CT3 0.005756 0.41459 6.79245
246 2Z9V PXM 0.01151 0.41119 6.79245
247 4LHM AZZ 0.01768 0.40773 6.79245
248 4Q3F TLA 0.01968 0.41059 6.83761
249 1SJW NGV 0.006145 0.4011 6.94444
250 1TUV VK3 0.02673 0.42144 7.01754
251 4JP3 CIT 0.001036 0.43962 7.11297
252 3MD0 GDP 0.001504 0.44369 7.16981
253 1QZZ SAM 0.002696 0.41873 7.16981
254 3CQ5 PMP 0.009175 0.41075 7.16981
255 1Q11 TYE 0.01361 0.40803 7.16981
256 2BH9 NAP 0.004191 0.40732 7.16981
257 2CE7 ADP 0.007752 0.4011 7.16981
258 1NVU GTP 0.003961 0.40214 7.22892
259 2WMO GTP 0.002093 0.42295 7.36842
260 4OJ8 2TQ 0.0001545 0.43681 7.54717
261 4C6F DOR 0.006266 0.41309 7.54717
262 4C6F NCD 0.006266 0.41309 7.54717
263 1MQ0 BRD 0.008131 0.4003 7.85714
264 3QP4 HL0 0.003207 0.41166 7.92453
265 1B4N GUA 0.01914 0.42127 8.30189
266 1KTC NGA 0.0144 0.40695 8.30189
267 3QP6 HL6 0.00577 0.40603 8.30189
268 1FIQ FAD 0.001118 0.40075 8.30189
269 1FIQ SAL 0.0009615 0.40007 8.30189
270 2FOI JPA 0.00473 0.41806 8.33333
271 3H86 AP5 0.002719 0.4063 8.33333
272 3NCQ ATP 0.002232 0.4022 8.40336
273 1V7R CIT 0.04837 0.41425 8.60215
274 1B4P GPS 0.003664 0.40188 8.67924
275 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001561 0.40331 9.0566
276 1NN5 2DT 0.0005845 0.40363 9.30233
277 1NN5 ANP 0.0005845 0.40363 9.30233
278 3I51 45C 0.001481 0.4335 9.43396
279 1I1Q TRP 0.006561 0.41687 9.43396
280 1WDA BAG 0.008123 0.41297 9.43396
281 4LO6 SIA GAL 0.01093 0.43142 9.47368
282 1YHM AHD 0.005566 0.43025 9.81132
283 1IM8 SAI 0.0008169 0.41688 9.81132
284 1W7J ADP BEF 0.001133 0.42412 9.93377
285 1ECM TSA 0.008265 0.41266 10.0917
286 2QLX RM4 0.01684 0.41924 10.1852
287 3DG6 MUC 0.0008225 0.43851 10.1887
288 1PEA ACM 0.00953 0.43764 10.1887
289 1FP2 SAH 0.001525 0.42822 10.566
290 2W3L DRO 0.02849 0.41999 10.9434
291 1QO0 BMD 0.0125 0.41978 11.2245
292 3LZW NAP 0.0005069 0.43388 11.3208
293 1RL4 BRR 0.0353 0.40444 11.3208
294 2C31 ADP 0.005323 0.40734 11.6981
295 1U5R ATP 0.0008194 0.43378 12.0755
296 2NVK NAP 0.004264 0.42988 12.0755
297 2JFV FLC 0.009922 0.42443 12.0755
298 4OYA 1VE 0.01779 0.40001 12.4528
299 3CF6 SP1 0.001435 0.4247 12.8302
300 1JGS SAL 0.01039 0.45979 13.0435
301 2VWA PTY 0.02562 0.42419 13.8614
302 4WVH ASP HIS ASP ALA HIS ALA 0.0063 0.41761 13.9623
303 4UAL 3FV 0.002546 0.41134 13.9623
304 2HFK E4H 0.003126 0.43572 15.4717
305 1VJO PLP 0.005889 0.40179 16.2264
306 1SC3 MLI 0.002698 0.46496 17.0455
307 2V5E SCR 0.001767 0.49246 17.5
308 3R51 MMA 0.00006841 0.55586 18.75
309 2F2U M77 0.00454 0.41879 23.3962
310 1MOQ GLP 0.002726 0.40643 25.283
Pocket No.: 2; Query (leader) PDB : 3RO7; Ligand: TDR; Similar sites found: 92
This union binding pocket(no: 2) in the query (biounit: 3ro7.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZS6 ADP 0.01044 0.40838 None
2 3KPE TM3 0.0242 0.4064 None
3 1PX8 XYP 0.006699 0.42665 1.50943
4 2GWD GLU 0.00294 0.4315 2.26415
5 3TFC PEP 0.004301 0.42972 2.26415
6 1C7S CBS 0.002772 0.42275 2.26415
7 1F1V DHY 0.006937 0.41585 2.26415
8 3TKA SAM 0.001211 0.41113 2.26415
9 4B4D FAD 0.001333 0.40973 2.26415
10 3LST SAH 0.007613 0.4014 2.26415
11 1Q6O LG6 0.0006066 0.43865 2.31481
12 1B55 4IP 0.002567 0.41954 2.36686
13 4JEJ 1GP 0.006846 0.40723 2.45902
14 3KMT SAH 0.001125 0.4333 2.52101
15 1Z44 NPO 0.01868 0.44526 2.64151
16 1E4E PHY 0.0007392 0.43545 2.64151
17 4EPL JAI 0.004128 0.40756 2.64151
18 3QO8 SSA 0.00437 0.40664 2.64151
19 2YVF FAD 0.002686 0.41143 2.69608
20 1POC GEL 0.002998 0.40876 2.98507
21 1I0Z OXM 0.005532 0.45708 3.01887
22 3R6K FUC GAL GLA 0.02278 0.4129 3.01887
23 1I2L DCS 0.002402 0.40467 3.01887
24 3TO7 COA 0.001272 0.40385 3.01887
25 1B63 ANP 0.001757 0.4022 3.01887
26 2R42 FPS 0.002882 0.40194 3.01887
27 4E13 NAD 0.002386 0.40123 3.01887
28 3PMA SCR 0.002298 0.44151 3.0888
29 1H8G CHT 0.003951 0.48363 3.15789
30 4NAO AKG 0.02133 0.41429 3.39623
31 3JQ3 ADP 0.007415 0.41011 3.39623
32 1R27 MGD 0.0008349 0.4071 3.39623
33 3GF2 SAL 0.04402 0.40423 3.42466
34 1VQ2 DDN 0.00356 0.40605 3.62694
35 1Q0H NDP 0.000789 0.41971 3.77358
36 1Q0H FOM 0.0007164 0.4191 3.77358
37 1F5F DHT 0.003101 0.40823 3.77358
38 1KYV RBF 0.003748 0.40524 3.77358
39 4KOA NDP 0.004019 0.40413 3.77358
40 1NXJ GLV 0.004129 0.42531 3.82514
41 1LVL NAD 0.001087 0.41271 4.15094
42 2XVE FAD 0.003321 0.40907 4.15094
43 1I36 NAP 0.001129 0.40498 4.15094
44 3ZF8 GDP 0.01163 0.40214 4.15094
45 4JCA CIT 0.0004244 0.52594 4.19162
46 1XIU REA 0.0006875 0.432 4.34783
47 1Y42 TYR 0.001256 0.45285 4.5283
48 3W8S GSH 0.01501 0.41094 4.5283
49 3UST FAD 0.004311 0.40686 4.5283
50 3MAG SAH 0.002585 0.40357 4.5283
51 1UOU CMU 0.0007899 0.43918 4.90566
52 3M6W SAM 0.002077 0.4187 4.90566
53 3I0O ADP 0.007409 0.41012 5.01475
54 2Y6P CTP 0.002292 0.43086 5.12821
55 4JLV ADP 0.00935 0.45768 5.28302
56 1EYQ NAR 0.002738 0.43279 5.40541
57 2FH5 GTP 0.0009433 0.41867 5.40541
58 1NF8 ISC 0.006344 0.40854 5.7971
59 1UCN ADP 0.002651 0.41901 5.92105
60 1TH8 ADP 0.005381 0.41578 6.03448
61 1QF5 RPL 0.0005129 0.4257 6.03774
62 1QF5 GDP 0.0005129 0.4257 6.03774
63 1I2B UPG 0.01127 0.4142 6.03774
64 1I2B NAD 0.01127 0.4142 6.03774
65 1I2B USQ 0.01127 0.4142 6.03774
66 4TMK T5A 0.01287 0.40872 6.10329
67 1N9L FMN 0.001886 0.41209 6.42202
68 3Q9T FAY 0.0002872 0.42378 6.79245
69 2CFU 1DB 0.002037 0.40354 6.79245
70 2PR5 FMN 0.002001 0.41118 6.81818
71 1JJ7 ADP 0.02723 0.43616 6.92308
72 3EJ0 11X 0.01218 0.41252 7.14286
73 3GM5 CIT 0.03034 0.40181 7.16981
74 4OJ8 AKG 0.0005038 0.42805 7.54717
75 3VTF UPG 0.001179 0.41533 7.92453
76 2ZJF BSU 0.01182 0.40184 7.92453
77 4USS GSH 0.004662 0.42821 8.30189
78 1UF5 CDT 0.01196 0.40164 8.58086
79 3U7Y FLC 0.03819 0.43292 8.73362
80 1S8F GDP 0.004191 0.41137 9.03955
81 1QJC PNS 0.002645 0.40669 9.49367
82 3KYF 5GP 5GP 0.009416 0.40588 9.52381
83 1B8U OAA 0.0002857 0.41581 9.81132
84 2GNK ATP 0.001179 0.41931 9.82143
85 2VKL MLT 0.03303 0.42338 10
86 1DL7 NCH 0.003306 0.48802 10.0917
87 2P8O BVA 0.003483 0.4064 10.3093
88 1FWE HAE 0.0101 0.40899 10.566
89 3LZW FAD 0.001165 0.40503 11.3208
90 2F6U CIT 0.04419 0.42377 11.9658
91 4NC7 I3C 0.01612 0.42016 14.1414
92 2FYU FDN 0.002813 0.40594 17.8571
Pocket No.: 3; Query (leader) PDB : 3RO7; Ligand: TDR; Similar sites found: 214
This union binding pocket(no: 3) in the query (biounit: 3ro7.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZZS TRP 0.00002502 0.4744 None
2 4PNO U5P 0.00004074 0.54675 0.754717
3 2C2A ADP 0.0448 0.40469 1.16279
4 1G6O ADP 0.0000002086 0.47523 1.50943
5 3TI8 LNV 0.00003618 0.45729 1.50943
6 1CBF SAH 0.01858 0.42444 1.75439
7 1A8S PPI 0.0009085 0.49416 1.88679
8 2GJN NIS 0.002859 0.42697 1.88679
9 3Q2I HP7 0.00002489 0.41418 1.88679
10 4M5P FMN 0.02053 0.41077 1.88679
11 1Q7E MET 0.01651 0.40211 1.88679
12 3OCZ SRA 0.03709 0.40826 1.9084
13 4DA6 GA2 0.0000001296 0.48007 1.97628
14 2W24 LYS 0.0002329 0.46222 2
15 1LSS NAD 0.02187 0.40966 2.14286
16 3VOZ 04A 0.0003351 0.49574 2.26415
17 1E4I NFG 0.0001669 0.4743 2.26415
18 3AIQ HBO 0.000003594 0.47078 2.26415
19 3VGL BGC 0.0003914 0.45438 2.26415
20 4GZP G39 0.00007688 0.44773 2.26415
21 1GR0 NAD 0.0000001034 0.43978 2.26415
22 1G7V PAI 0.000147 0.4395 2.26415
23 2YFT DQR 0.01459 0.42906 2.26415
24 4QDC ASD 0.003276 0.42621 2.26415
25 3VGL ANP 0.0008276 0.42212 2.26415
26 2P2V CSF 0.000396 0.40577 2.26415
27 4QDF 30Q 0.01238 0.40549 2.26415
28 4G1V FAD 0.00000009469 0.40464 2.26415
29 4N7C AEF 0.04633 0.4367 2.27273
30 1FW1 GSH 0.04109 0.41219 2.31481
31 1JCM 137 0.001825 0.43111 2.3166
32 3FSY SCA 0.001649 0.41416 2.40964
33 4KS1 2H8 0.0004538 0.41627 2.5641
34 3LEO GSH 0.00391 0.41959 2.58065
35 3WSJ MK1 0.000403 0.40945 2.58621
36 4LCQ URQ 0.0000537 0.48439 2.64151
37 1BGV GLU 0.00000946 0.47751 2.64151
38 2C9O ADP 0.0001129 0.46312 2.64151
39 4I9A NCN 0.000311 0.45785 2.64151
40 4HPP GLU 0.00009999 0.4556 2.64151
41 4MOB ADP 0.005794 0.44475 2.64151
42 4MOB COA 0.0001555 0.44139 2.64151
43 1AL8 FMN 0.00004247 0.42992 2.64151
44 1QW9 KHP 0.003549 0.4291 2.64151
45 4Q3S X7A 0.005723 0.41753 2.64151
46 3H9E NAD 0.006479 0.41686 2.64151
47 4OB6 S2T 0.03307 0.41337 2.64151
48 3V1V GST 0.036 0.40883 2.64151
49 1WL4 COA 0.001522 0.40188 2.64151
50 1RP0 AHZ 0.00003423 0.40022 2.64151
51 3K3G MMU 0.003237 0.48405 2.64706
52 2PN6 GLN 0.000004196 0.41405 2.66667
53 4FUA PGH 0.0006011 0.4542 2.7907
54 1PKK DCP 0.004809 0.43292 2.94118
55 4HE2 AMP 0.000001829 0.5264 3.01887
56 2ZI8 SDT 0.00002068 0.4988 3.01887
57 1FX8 BOG 0.0004124 0.49189 3.01887
58 1LDM OXM 0.001514 0.48644 3.01887
59 1TV5 A26 0.0005145 0.47091 3.01887
60 1TV5 N8E 0.003475 0.44867 3.01887
61 3M0J OAF 0.0004615 0.44585 3.01887
62 1TV5 ORO 0.006492 0.44262 3.01887
63 1LDM NAD 0.00001384 0.41559 3.01887
64 3EE4 MYR 0.02063 0.41068 3.01887
65 1E8G FAD 0.00000007087 0.40836 3.01887
66 1TV5 FMN 0.001358 0.40717 3.01887
67 1E8G FCR 0.000000238 0.40448 3.01887
68 1KYZ SAH 0.04452 0.40213 3.01887
69 1NHZ 486 0.02929 0.40204 3.01887
70 2YHW BM3 0.01134 0.40126 3.01887
71 3NJQ NJQ 0.0008711 0.44837 3.10881
72 2QXX TTP 0.003539 0.40717 3.15789
73 4DN8 BMA 0.01305 0.46123 3.20513
74 4M4Q 21A 0.02477 0.40012 3.3195
75 4NVP 7CH 0.00009867 0.45578 3.34928
76 1K27 MTM 0.00005605 0.47314 3.39623
77 1J2Z SOG 0.000005485 0.46583 3.39623
78 1KYQ NAD 0.003295 0.44964 3.39623
79 3EAU PDN 0.00000001938 0.44325 3.39623
80 3EAU NDP 0.00000001938 0.44325 3.39623
81 1ML4 PAL 0.002148 0.44174 3.39623
82 3CKZ ZMR 0.0002138 0.42987 3.39623
83 1KY8 NAP 0.00000001234 0.42358 3.39623
84 2FR6 URI 0.0191 0.41769 3.42466
85 4M7F BM3 0.00004839 0.57167 3.53982
86 2NSJ C2R 0.00002249 0.40023 3.5503
87 4PTZ FMN 0.03167 0.41124 3.66492
88 1MXI SAH 0.02502 0.41274 3.75
89 5DRN 5CT 0.0009674 0.5508 3.77358
90 3HPF GAE 0.0002475 0.4433 3.77358
91 4C25 13P 0.000894 0.4419 3.77358
92 2YP9 SIA CMO 0.009323 0.43581 3.77358
93 1DRV A3D 0.0001096 0.42398 3.77358
94 3K37 BCZ 0.00000132 0.41151 3.77358
95 3UC5 ATP 0.00000007417 0.47672 3.82166
96 4LN7 1ZQ 0.04812 0.40334 3.82775
97 4AP9 1PS 0.0008501 0.47007 3.9801
98 2BJF DXC 0.00002805 0.45481 4.15094
99 1G41 ADP 0.000002618 0.44951 4.15094
100 1JSH SIA GAL 0.002903 0.44151 4.15094
101 1V8K ANP 0.0008063 0.43773 4.15094
102 2WLT ASP 0.001768 0.43159 4.15094
103 2WIC GNP 0.004327 0.43019 4.15094
104 3L02 CP 0.001332 0.42781 4.15094
105 3L02 SN0 0.001332 0.42781 4.15094
106 2RDT 2RD 0.000002637 0.42618 4.15094
107 2RDT FMN 0.00005322 0.41889 4.15094
108 2R7K AMZ 0.00000002157 0.41376 4.15094
109 2R7K ACP 0.00000002157 0.41376 4.15094
110 4A8H PUW 0.004777 0.41295 4.15094
111 4L7I SAM 0.03332 0.41028 4.15094
112 3PXP MYR 0.03743 0.40809 4.15094
113 4IEN GDP 0.001282 0.4408 4.29448
114 4IEN COA 0.002344 0.41972 4.29448
115 5RHN 8BR 0.003194 0.45793 4.34783
116 2F59 INI 0.04327 0.40266 4.4586
117 5A2J ALA PRO ASP THR ARG PRO 0.02308 0.46226 4.5082
118 1YBQ BDH 0.00002577 0.47401 4.5283
119 3UXL CFI 0.000008059 0.47013 4.5283
120 4AF0 MOA 0.0004346 0.46625 4.5283
121 4A8T PAO 0.0000007937 0.44616 4.5283
122 4AF0 IMP 0.00006544 0.42973 4.5283
123 2ZX7 ZX7 0.002068 0.42528 4.5283
124 3NKT 1HN 0.003818 0.42517 4.5283
125 4JTA NAP 0.000001803 0.42101 4.5283
126 1ONX ASP 0.01037 0.40944 4.5283
127 3NYQ MCA 0.007755 0.40256 4.5283
128 1OYB HBA 0.01738 0.40129 4.5283
129 2ORV 4TA 0.01646 0.40686 4.70085
130 4LKK SIA GAL 0.02303 0.41426 4.7619
131 2FGQ MLT 0.001193 0.51592 4.90566
132 2WL9 MBD 0.00008066 0.49372 4.90566
133 2Z5Y HRM 0.0007852 0.44386 4.90566
134 4JRB PGT 0.03859 0.41664 4.90566
135 2R5T ANP 0.02173 0.40977 4.90566
136 1N6B DMZ 0.002775 0.40623 4.90566
137 2NP9 YE1 0.006284 0.40558 4.90566
138 3V91 UPG 0.000919 0.40025 4.90566
139 4PB2 5UD 0.008197 0.4331 4.95283
140 2PMP C5P 0.03977 0.41284 5
141 1OD6 PNS 0.0001715 0.41281 5
142 1O7N IND 0.0003159 0.47919 5.15464
143 4QCK ASD 0.0007364 0.45427 5.28302
144 1HV9 UD1 0.001253 0.42868 5.28302
145 3MMR ABH 0.00002362 0.42714 5.28302
146 3O2K QRP 0.0449 0.41689 5.28302
147 3HAZ NAD 0.005573 0.41184 5.28302
148 2JEN GLC GLC XYS XYS 0.0006099 0.41071 5.28302
149 4B7J G39 0.003883 0.41023 5.28302
150 1FWY UD1 0.005552 0.40736 5.28302
151 1SJD NPG 0.01844 0.40499 5.28302
152 2O4J VD4 0.002902 0.42949 5.47945
153 2NZ2 ASP 0.000174 0.54414 5.56901
154 2NZ2 CIR 0.000002756 0.53866 5.56901
155 4P87 4NP 0.0006929 0.45197 5.66038
156 1VKO NAD 0.000003486 0.4196 5.66038
157 1EXB NDP 0.00001145 0.40579 5.66038
158 1CFV E3G 0.01003 0.41244 5.88235
159 1A5Z OXM 0.00003868 0.61496 6.03774
160 1A5Z FBP 0.000849 0.4701 6.03774
161 1JQN DCO 0.00006081 0.46867 6.03774
162 1A5Z NAD 0.00007844 0.42771 6.03774
163 4J7H TRH 0.02378 0.41087 6.03774
164 1K97 CIR 0.000001187 0.40847 6.03774
165 1K97 ASP 0.000001187 0.40847 6.03774
166 1DXY NAD 0.01362 0.40515 6.03774
167 3QVL 5HY 0.000001449 0.46364 6.12245
168 3PHQ KDO 0.0002026 0.62312 6.41509
169 4M7J KDA KDO KDO 0.01446 0.46749 6.41509
170 2Q8M AMP 0.01004 0.44369 6.41509
171 4IU0 ABH 0.009359 0.42158 6.41509
172 2OWZ F6P 0.03377 0.41003 6.41509
173 5DTF 5CT 0.003476 0.50938 6.54206
174 5DUB GLY 5GG GLY ALA 0.01307 0.47646 6.54206
175 5DS8 GLY 5CT GLY ALA 0.0158 0.46846 6.54206
176 1WKL ADP 0.0000004396 0.50584 6.56934
177 1WKL ATP 0.000000459 0.47588 6.56934
178 1Y0L HAN 0.00346 0.52266 6.63717
179 5D6C 57S 0.009855 0.49104 6.69643
180 1IZC PYR 0.000021 0.52523 6.78466
181 2GGH NLQ 0.0001082 0.45453 6.79245
182 1SAY PYR 0.000000000004438 0.44227 6.79245
183 1W31 SHO 0.00001087 0.43975 6.79245
184 1NVV GNP 0.000003942 0.44535 7.22892
185 1BDB NAD 0.000002514 0.41827 7.54717
186 1KW6 BPY 0.00005379 0.40702 7.54717
187 3OYZ ACO 0.0008312 0.42323 7.92453
188 2EJU SAH 0.02818 0.41056 7.92453
189 2A0W DIH 0.006837 0.40122 7.92453
190 2BMK PDD 0.02001 0.45403 7.9646
191 3IJH KO2 0.02957 0.44 7.9646
192 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.002812 0.49634 8.01887
193 2DQU CPD 0.01685 0.44791 8.03571
194 1Z34 2FD 0.00001867 0.43642 8.08511
195 1VCO GLN 0.001467 0.4402 8.30189
196 1FL2 FAD 0.002506 0.40155 8.30189
197 2ET1 GLV 0.00001022 0.47651 8.45771
198 2BJK NAD 0.00004662 0.42341 8.67924
199 3D2M COA 0.00000001216 0.41392 8.67924
200 4QN6 LNV 0.0003333 0.43405 9.43396
201 1R6W 164 0.0139 0.42997 9.43396
202 3NGU ADP 0.04642 0.40977 9.93377
203 1FP2 HMO 0.03353 0.41311 10.566
204 4CO3 ATP 0.0009823 0.41114 10.7143
205 3E5H GNP 0.008974 0.41681 11.236
206 5T63 ALA ALA ALA ALA 0.0001412 0.49287 11.6981
207 2PVQ GSH 0.0364 0.40862 12.9353
208 3PMD 11A 0.01605 0.43817 13.0719
209 4IMG NGF 0.01761 0.41624 13.2075
210 43CA NPO 0.02042 0.48744 15.0442
211 1Y75 NAG 0.02105 0.43655 16.1017
212 4G4S LDZ 0.01043 0.432 17.5966
213 4BPM GSH 0.004964 0.42372 22.4719
214 4BPM LVJ 0.00523 0.41893 22.4719
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