Receptor
PDB id Resolution Class Description Source Keywords
3RTB 2.1 Å EC: 4.2.1.93 CRYSTAL STRUCTURE OF TM0922, A FUSION OF A DOMAIN OF UNKNOWN AND ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE FROM THERM ARITIMA SOAKED WITH ADENOSINE-3'-5'-DIPHOSPHATE THERMOTOGA MARITIMA UNKNOWN FUNCTION ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATLYASE
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
A3P A:492;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ALA TRP LEU PHE GLU ALA B:1;
Valid;
none;
submit data
719.84 n/a O=C([...
GOL A:493;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:491;
Part of Protein;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RS8 2.1 Å EC: 4.2.1.93 CRYSTAL STRUCTURE OF TM0922, A FUSION OF A DOMAIN OF UNKNOWN AND ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE FROM THERM ARITIMA IN COMPLEX WITH ADP-RIBOSE THERMOTOGA MARITIMA UNKNOWN FUNCTION ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATLYASE
Ref.: IDENTIFICATION OF UNKNOWN PROTEIN FUNCTION USING ME COCKTAIL SCREENING. STRUCTURE V. 20 1715 2012
Members (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RT9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3RTG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3RRF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3RS8 Kd = 5.1 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
5 3RTB - ALA TRP LEU PHE GLU ALA n/a n/a
6 3RTE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RTC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3RSG - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 3RSF - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
10 3RT7 - ALA ALA TRP LEU PHE GLU ALA n/a n/a
11 3RRJ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 3RS9 - BA3 C20 H27 N10 O16 P3 c1nc(c2c(n....
13 3RSS Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3RTA - ALA ALA TRP LEU PHE GLU ALA n/a n/a
15 3RRB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 3RSQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3RU2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
18 3RRE - ALA ALA TRP LEU PHE GLU ALA n/a n/a
19 3RTD - ALA ALA TRP LEU PHE GLU ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3P; Similar ligands found: 387
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 A2D 0.594937 0.943662
13 ABM 0.594937 0.916667
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 RAB 0.585714 0.816901
18 XYA 0.585714 0.816901
19 ADN 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 AMP MG 0.582278 0.890411
24 0WD 0.580952 0.894737
25 A12 0.580247 0.931507
26 AP2 0.580247 0.931507
27 BA3 0.580247 0.943662
28 ATP A A A 0.578947 0.929577
29 25A 0.577778 0.971429
30 AGS 0.576471 0.918919
31 SAP 0.576471 0.918919
32 B4P 0.573171 0.943662
33 AP5 0.573171 0.943662
34 ATP 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 2A5 0.564706 0.917808
38 AQP 0.564706 0.971429
39 APC 0.564706 0.931507
40 5FA 0.564706 0.971429
41 V3L 0.563218 0.971429
42 APU 0.563107 0.918919
43 PAX 0.5625 0.85
44 ETB 0.559633 0.809524
45 DCA 0.559633 0.8
46 CA0 0.559524 0.917808
47 AU1 0.559524 0.944444
48 ADX 0.559524 0.848101
49 M33 0.559524 0.930556
50 A2R 0.555556 0.957747
51 BEF ADP 0.552941 0.88
52 ACP 0.552941 0.944444
53 ADP BEF 0.552941 0.88
54 50T 0.552941 0.930556
55 COA 0.54955 0.8
56 0T1 0.54955 0.8
57 AR6 0.546512 0.943662
58 PRX 0.546512 0.891892
59 APR 0.546512 0.943662
60 TAT 0.545455 0.931507
61 ACQ 0.545455 0.944444
62 D5M 0.54321 0.902778
63 DA 0.54321 0.902778
64 7D4 0.541176 0.90411
65 ADP MG 0.541176 0.90411
66 RBY 0.54023 0.905405
67 AD9 0.54023 0.944444
68 ADV 0.54023 0.905405
69 ADQ 0.537634 0.917808
70 30N 0.535088 0.731183
71 AMX 0.535088 0.809524
72 CAO 0.535088 0.772727
73 COS 0.535088 0.781609
74 CMX 0.530435 0.8
75 SCO 0.530435 0.8
76 SON 0.529412 0.931507
77 GAP 0.52809 0.891892
78 ANP 0.52809 0.944444
79 7D7 0.527778 0.763889
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 FAM 0.525862 0.781609
84 ACO 0.525862 0.772727
85 FCX 0.525862 0.772727
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 A4D 0.52 0.791667
90 5CD 0.52 0.802817
91 FYN 0.516949 0.8
92 3KK 0.516949 0.781609
93 ATP MG 0.516854 0.90411
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 COK 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 MCD 0.512605 0.781609
102 SOP 0.512605 0.781609
103 SRP 0.51087 0.905405
104 VO4 ADP 0.51087 0.930556
105 ADP VO4 0.51087 0.930556
106 ADP BMA 0.510417 0.891892
107 25L 0.510204 0.957747
108 G A A A 0.509091 0.87013
109 CMC 0.508333 0.781609
110 NMX 0.508333 0.73913
111 CO6 0.508333 0.781609
112 1VU 0.508333 0.772727
113 MTA 0.506329 0.77027
114 A3G 0.506024 0.773333
115 PAJ 0.505263 0.858974
116 A U 0.504673 0.868421
117 CAJ 0.504132 0.781609
118 SCD 0.504132 0.8
119 2MC 0.504132 0.747253
120 ALF ADP 0.5 0.868421
121 A1S 0.5 0.781609
122 1HE 0.5 0.764045
123 PTJ 0.5 0.894737
124 3OD 0.5 0.917808
125 EP4 0.5 0.75
126 3HC 0.5 0.790698
127 FYA 0.5 0.90411
128 MLC 0.5 0.781609
129 BCO 0.5 0.781609
130 IVC 0.5 0.790698
131 MAP 0.5 0.918919
132 ADP ALF 0.5 0.868421
133 MCA 0.495935 0.772727
134 COO 0.495935 0.781609
135 YE1 0.495935 0.790698
136 CAA 0.495935 0.790698
137 U A C C 0.495575 0.857143
138 3UK 0.494845 0.917808
139 OAD 0.494845 0.917808
140 8QN 0.494737 0.930556
141 5SV 0.494737 0.846154
142 ANP MG 0.494624 0.893333
143 6RE 0.493976 0.75641
144 101 0.493976 0.902778
145 3DH 0.493827 0.77027
146 M2T 0.493671 0.730769
147 5AD 0.493151 0.742857
148 MC4 0.491935 0.73913
149 SCA 0.491935 0.781609
150 2CP 0.491935 0.772727
151 U A G G 0.491071 0.881579
152 WAQ 0.489796 0.881579
153 A1R 0.489583 0.881579
154 AMO 0.489583 0.905405
155 4AD 0.489583 0.893333
156 AOC 0.488095 0.819444
157 3CP 0.488 0.781609
158 COF 0.488 0.764045
159 COW 0.488 0.772727
160 IRC 0.488 0.790698
161 2KQ 0.488 0.764045
162 1GZ 0.488 0.772727
163 CA8 0.488 0.708333
164 BYC 0.488 0.781609
165 HGG 0.488 0.781609
166 Y3J 0.486842 0.722222
167 FA5 0.485149 0.905405
168 1ZZ 0.484848 0.8375
169 AHX 0.484536 0.87013
170 DAL AMP 0.484211 0.90411
171 BCA 0.484127 0.772727
172 FAQ 0.484127 0.781609
173 4CA 0.484127 0.772727
174 AV2 0.483871 0.916667
175 DAT 0.483146 0.90411
176 5X8 0.483146 0.76
177 5AS 0.482759 0.776471
178 APC G U 0.482456 0.857143
179 ANZ 0.480769 0.820513
180 3AD 0.480519 0.828571
181 HXC 0.480315 0.764045
182 GRA 0.480315 0.781609
183 3AT 0.478261 0.971429
184 A3S 0.477273 0.783784
185 TGC 0.476562 0.772727
186 9SN 0.475248 0.87013
187 LAD 0.474747 0.858974
188 PR8 0.474747 0.848101
189 CO8 0.472868 0.764045
190 CIC 0.472868 0.781609
191 2NE 0.472868 0.764045
192 CCQ 0.472868 0.747253
193 1CZ 0.472868 0.772727
194 S0N 0.472868 0.781609
195 A5D 0.472527 0.783784
196 DSH 0.470588 0.721519
197 YAP 0.470588 0.893333
198 BIS 0.47 0.906667
199 ME8 0.47 0.8375
200 TXA 0.47 0.905405
201 NB8 0.47 0.87013
202 MYA 0.469231 0.764045
203 5F9 0.469231 0.764045
204 DCC 0.469231 0.764045
205 4CO 0.469231 0.772727
206 ST9 0.469231 0.764045
207 UCC 0.469231 0.764045
208 MFK 0.469231 0.764045
209 0FQ 0.469231 0.781609
210 A3T 0.466667 0.794521
211 U A A U 0.466667 0.906667
212 0ET 0.465649 0.764045
213 01A 0.465649 0.747253
214 TM1 0.465347 0.792683
215 J7C 0.465116 0.766234
216 AS 0.465116 0.855263
217 IMO 0.465116 0.928571
218 PO4 PO4 A A A A PO4 0.464646 0.928571
219 ZAS 0.464286 0.763158
220 DTP 0.462366 0.90411
221 CS8 0.462121 0.755556
222 1CV 0.462121 0.781609
223 WCA 0.462121 0.764045
224 4UV 0.461538 0.893333
225 NJP 0.460177 0.918919
226 S4M 0.45977 0.662791
227 NHW 0.458647 0.764045
228 4KX 0.458647 0.755556
229 NHM 0.458647 0.764045
230 HDC 0.458647 0.764045
231 UOQ 0.458647 0.764045
232 LAQ 0.457944 0.8375
233 JB6 0.455446 0.881579
234 NDP 0.455357 0.894737
235 NPW 0.455357 0.860759
236 MRS 0.455224 0.764045
237 HFQ 0.455224 0.764045
238 MRR 0.455224 0.764045
239 UPA 0.454545 0.881579
240 MAO 0.454545 0.756098
241 GGZ 0.453608 0.822785
242 NEC 0.453488 0.72
243 AFH 0.45283 0.858974
244 4UU 0.45283 0.893333
245 NHQ 0.452555 0.790698
246 TYR AMP 0.451923 0.88
247 XAH 0.451923 0.8375
248 YNC 0.451852 0.772727
249 DAK 0.451852 0.755556
250 SAH 0.451613 0.74026
251 G5A 0.451613 0.776471
252 MYR AMP 0.45098 0.814815
253 2VA 0.450549 0.773333
254 SFG 0.450549 0.746667
255 4UW 0.449541 0.858974
256 8Z2 0.448529 0.755556
257 A3N 0.448276 0.76
258 A U C C 0.448 0.846154
259 V1N 0.447619 0.916667
260 AMP DBH 0.447619 0.866667
261 ACK 0.447059 0.885714
262 103 0.447059 0.861111
263 QQY 0.447059 0.837838
264 3NZ 0.445545 0.75641
265 TYM 0.445455 0.905405
266 A G U 0.445312 0.8375
267 A7D 0.444444 0.773333
268 XNP 0.443478 0.871795
269 G3A 0.443396 0.894737
270 GJV 0.443182 0.746835
271 NVA 2AD 0.44086 0.74026
272 SA8 0.44086 0.703704
273 48N 0.440367 0.87013
274 YLP 0.440367 0.817073
275 WMP 0.439655 0.864865
276 AR6 AR6 0.439252 0.916667
277 G5P 0.439252 0.894737
278 G3D 0.438776 0.905405
279 D3Y 0.438776 0.763158
280 TSB 0.438776 0.795181
281 TXP 0.438596 0.894737
282 ZZB 0.438596 0.792683
283 NZQ 0.438596 0.883117
284 A5A 0.4375 0.804878
285 NAX 0.436364 0.848101
286 UP5 0.436364 0.893333
287 DND 0.436364 0.905405
288 NAI 0.436364 0.881579
289 NXX 0.436364 0.905405
290 SAI 0.43617 0.730769
291 VRT 0.43617 0.74359
292 SO8 0.43617 0.763158
293 1HA 0.435714 0.764045
294 A6D 0.435644 0.719512
295 QQX 0.435294 0.826667
296 GTA 0.435185 0.860759
297 TAD 0.435185 0.858974
298 ODP 0.434783 0.883117
299 SMM 0.43299 0.682353
300 SSA 0.43299 0.776471
301 01K 0.432624 0.781609
302 OMR 0.432432 0.82716
303 DDS 0.431579 0.876712
304 139 0.429825 0.848101
305 COT 0.429577 0.781609
306 VMS 0.428571 0.785714
307 AP0 0.428571 0.87013
308 52H 0.428571 0.776471
309 4TC 0.428571 0.87013
310 CC5 0.428571 0.814286
311 54H 0.428571 0.785714
312 DZD 0.42735 0.858974
313 LPA AMP 0.427273 0.814815
314 AAT 0.427083 0.703704
315 EEM 0.427083 0.686747
316 7MD 0.425926 0.8375
317 3D1 0.425 0.77027
318 3L1 0.425 0.77027
319 53H 0.424242 0.776471
320 5CA 0.424242 0.776471
321 MHZ 0.423913 0.694118
322 CA3 0.423611 0.781609
323 TXD 0.423423 0.881579
324 6V0 0.423423 0.87013
325 DG1 0.422764 0.894737
326 TAP 0.422764 0.906667
327 1DG 0.422764 0.894737
328 38Y 0.422414 0.804878
329 IOT 0.421053 0.829268
330 U G A 0.419847 0.8375
331 TXE 0.419643 0.881579
332 S7M 0.418367 0.686747
333 AHZ 0.418182 0.814815
334 ARG AMP 0.418182 0.82716
335 P5A 0.417476 0.741573
336 T5A 0.417391 0.817073
337 SAM 0.416667 0.686747
338 YLC 0.415929 0.8375
339 7MC 0.415929 0.817073
340 YLB 0.415929 0.817073
341 CPA 0.415929 0.825
342 DSZ 0.415842 0.776471
343 NSS 0.415842 0.776471
344 LSS 0.415842 0.758621
345 AAM 0.41573 0.971014
346 NAP 0.414634 0.944444
347 CNA 0.413793 0.905405
348 RP1 0.413793 0.864865
349 SP1 0.413793 0.864865
350 A4P 0.412281 0.819277
351 NVA LMS 0.411765 0.758621
352 YSA 0.411215 0.776471
353 8BR 0.411111 0.905405
354 5J9 0.409524 0.728395
355 CA5 0.409396 0.747253
356 ITT 0.408602 0.915493
357 NA0 0.408 0.931507
358 LEU LMS 0.407767 0.758621
359 HMG 0.407407 0.75
360 LA8 ALF 3PG 0.40708 0.835443
361 ALF ADP 3PG 0.40708 0.835443
362 AF3 ADP 3PG 0.40708 0.835443
363 COD 0.40678 0.788235
364 NAD 0.40678 0.930556
365 93P 0.406667 0.772727
366 UCA 0.406667 0.764045
367 2BA 0.406593 0.942029
368 CMP 0.406593 0.927536
369 71V 0.406593 0.881579
370 6C6 0.40625 0.88
371 GEK 0.405941 0.734177
372 12D 0.405405 0.783133
373 ADJ 0.405172 0.82716
374 YLA 0.405172 0.817073
375 GSU 0.403846 0.776471
376 KAA 0.403846 0.75
377 BT5 0.403361 0.829268
378 3GP 0.402174 0.891892
379 6IA 0.402062 0.835443
380 0UM 0.401961 0.695122
381 AYB 0.401709 0.807229
382 M24 0.401639 0.848101
383 PLM COA 0.40146 0.733333
384 COA MYR 0.40146 0.733333
385 COA PLM 0.40146 0.733333
386 J7V 0.4 0.809524
387 A3D 0.4 0.917808
Ligand no: 2; Ligand: ALA TRP LEU PHE GLU ALA; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA TRP LEU PHE GLU ALA 1 1
2 ALA ALA TRP LEU PHE GLU ALA 0.90099 1
3 PRO ALA TRP LEU PHE GLU ALA 0.731092 0.884615
4 ALA PRO ALA TRP LEU PHE GLU ALA 0.706349 0.779661
5 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.583942 0.793103
6 ALA LEU ASP LYS TRP ASP 0.575221 0.865385
7 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.560284 0.754098
8 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.559055 0.882353
9 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.553571 0.86
10 GLU LEU GLU LYS TRP ALA SER 0.54918 0.818182
11 GLY LEU MET TRP LEU SER TYR PHE VAL 0.548148 0.741935
12 ALA LEU ASP LYS TRP GLN ASN 0.534483 0.882353
13 ACE GLU TRP TRP TRP 0.528302 0.895833
14 ILE ASP TRP PHE GLU GLY LYS GLU 0.525926 0.818182
15 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.52459 0.633333
16 ALA LEU ASP LYS TRP ALA SER 0.520325 0.803571
17 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.519084 0.789474
18 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.516667 0.865385
19 ILE ASP TRP PHE ASP GLY LYS GLU 0.514706 0.818182
20 TRP GLU GLU LEU 0.513761 0.957447
21 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.510791 0.867925
22 ASP GLU ASP LYS TRP ASP ASP PHE 0.508333 0.807692
23 ACE ASN TRP GLU THR PHE 0.507692 0.8
24 GLU LEU ASP HOX TRP ALA SER 0.507576 0.821429
25 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.507463 0.789474
26 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.507246 0.785714
27 PRO GLN PHE SER LEU TRP LYS ARG 0.49635 0.762712
28 TYR TRP ALA ALA ALA ALA 0.495726 0.82
29 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.492857 0.766667
30 GLU LEU ASP LYS TRP ALA GLY 0.492188 0.849057
31 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.490066 0.686567
32 GLU LEU ASP LYS TRP ALA SER 0.484615 0.803571
33 ARG LEU TRP SER 0.483333 0.733333
34 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.482269 0.703125
35 ASP SER TRP LYS ASP GLY CYS TYR 0.481203 0.745763
36 GLU LEU ASP LYS TRP ALA ASN 0.480916 0.818182
37 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.479452 0.789474
38 TYR GLU TRP 0.478261 0.84
39 ILE ASP TRP PHE ASP GLY LYS ASP 0.477941 0.818182
40 GLU LEU ASP ORN TRP ALA SER 0.477273 0.818182
41 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.472973 0.779661
42 ASP TRP GLU ILE VAL 0.471545 0.9375
43 ALA SER ASN GLU ASN TRP GLU THR MET 0.470149 0.709677
44 LEU GLU PHE GLN GLY 0.469565 0.711538
45 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.464912 0.770833
46 PHE LEU GLU LYS 0.464286 0.74
47 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.462121 0.736842
48 0ZN 0.46087 0.895833
49 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.46 0.779661
50 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.455224 0.701754
51 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.453416 0.636364
52 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.451128 0.6875
53 FME ASP VAL GLU ALA TRP LEU 0.450704 0.849057
54 LYS TRP LYS 0.449541 0.784314
55 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.449367 0.730159
56 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.449275 0.814815
57 GLU LEU ASP HIS TRP ALA SER 0.449275 0.803571
58 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.448276 0.75
59 GLU ALA ASP LYS TRP GLN SER 0.447761 0.724138
60 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.447205 0.641791
61 ALA GLU THR PHE TYR VAL ASP GLY 0.444444 0.722222
62 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.441718 0.71875
63 SER LEU LEU MET TRP ILE THR GLN ALA 0.440559 0.725806
64 SER LEU LEU MET TRP ILE THR GLN LEU 0.439716 0.725806
65 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.439252 0.826087
66 SER LEU LEU MET TRP ILE THR GLN VAL 0.4375 0.725806
67 GLU GLN ASP LYS TRP ALA SER 0.437037 0.724138
68 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.436975 0.642857
69 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.435714 0.615385
70 GLU ASN LEU TYR PHE GLN 0.435484 0.727273
71 SER LEU LEU MET TRP ILE THR GLN CYS 0.434483 0.725806
72 SER LEU LEU MET TRP ILE THR GLN SER 0.433566 0.725806
73 ASP PHE GLU ASP TYR GLU PHE ASP 0.433333 0.679245
74 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.433333 0.737705
75 SER TRP PHE PRO 0.433071 0.640625
76 SER SER VAL VAL GLY VAL TRP TYR LEU 0.432624 0.775862
77 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.43125 0.626866
78 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.43125 0.681818
79 ASP ALA GLU PHE ARG HIS ASP 0.430769 0.683333
80 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.430657 0.727273
81 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.430556 0.803571
82 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.42953 0.75
83 ACE LEU PHE PHE GLK CF0 GLU 0.428571 0.745098
84 GLU LEU ASP NRG TRP ALA SER 0.428571 0.625
85 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.427673 0.69697
86 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.427481 0.677966
87 THR ASN GLU PHE TYR ALA 0.427419 0.678571
88 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.425373 0.75
89 THR TYR LYS PHE PHE GLU GLN 0.424 0.627119
90 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.424 0.627119
91 ALA GLU THR PHE 0.423423 0.686275
92 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.423358 0.737705
93 ALA PHE THR 0.421569 0.632653
94 GLU ASN GLN LYS GLU TYR PHE PHE 0.420635 0.62069
95 LYS TRP 0.420561 0.76
96 GLU ASP ASN ASP TRP ASN 0.419643 0.784314
97 ASP TRP ASN 0.419643 0.784314
98 SER SER ARG LYS GLU TYR TYR ALA 0.419355 0.603175
99 GLU ASN ASP LYS TRP ALA SER 0.419118 0.711864
100 X95 0.416667 0.722222
101 LSW 0.416667 0.722222
102 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.415493 0.677966
103 ASN ASP TRP LEU LEU PRO SER TYR 0.414013 0.657143
104 ASP PHE GLU GLU ILE 0.413793 0.734694
105 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.41358 0.642857
106 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.413534 0.722222
107 SER SER VAL ILE GLY VAL TRP TYR LEU 0.412162 0.762712
108 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.410596 0.676923
109 PHE ASN GLU LEU SER HIS LEU 0.409836 0.75
110 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.409639 0.737705
111 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.409639 0.676471
112 SER PRO LEU ASP SER LEU TRP TRP ILE 0.409396 0.69697
113 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.409091 0.690909
114 MET LEU ILE TYR SER MET TRP GLY LYS 0.408805 0.69697
115 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.408759 0.678571
116 PHE LEU SER TYR LYS 0.408 0.661017
117 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.407895 0.737705
118 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.407407 0.714286
119 GLU ILE ILE ASN PHE GLU LYS LEU 0.407407 0.660714
120 ALA GLU ALA ALA GLN ALA 0.407407 0.666667
121 SER ILE ILE ASN PHE GLU LYS LEU 0.407407 0.616667
122 GLN GLU GLU TRP SEP THR VAL MET 0.406897 0.671642
123 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.406897 0.703125
124 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.406897 0.645161
125 THR ASN GLU PHE TYR PHE 0.40678 0.679245
126 THR ASN GLU PHE ALA PHE 0.40678 0.734694
127 MET TYR TRP TYR PRO TYR 0.405594 0.651515
128 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.404959 0.62963
129 TRP GLU TYR ILE PRO ASN VAL 0.403846 0.686567
130 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.4 0.696429
131 ASP ALA GLU PHE ARG HIS ASP SER 0.4 0.683333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RS8; Ligand: APR; 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: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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