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Receptor
PDB id Resolution Class Description Source Keywords
3RS9 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 P1,P3-DI(ADENOSINE-5') TRIPHOSPHAT 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
ALA TRP LEU PHE GLU ALA B:3;
Valid;
none;
submit data n/a n/a n/a n/a
BA3 A:493;
A:494;
Valid;
Valid;
none;
none;
submit data
756.407 C20 H27 N10 O16 P3 c1nc(...
GOL A:495;
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+]
MG A:492;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
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: ALA TRP LEU PHE GLU ALA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BA3; Similar ligands found: 431
No: Ligand ECFP6 Tc MDL keys Tc
1 BA3 1 1
2 AP5 0.984615 1
3 B4P 0.984615 1
4 A2D 0.938462 1
5 5FA 0.927536 0.971831
6 AQP 0.927536 0.971831
7 HEJ 0.913043 0.971831
8 ATP 0.913043 0.971831
9 SAP 0.887324 0.92
10 AGS 0.887324 0.92
11 ADP 0.869565 0.971831
12 AN2 0.857143 0.958333
13 AT4 0.857143 0.932432
14 APR 0.847222 0.971831
15 AR6 0.847222 0.971831
16 M33 0.84507 0.958333
17 AD9 0.835616 0.945205
18 ACP 0.833333 0.945205
19 A 0.808824 0.943662
20 AMP 0.808824 0.943662
21 CA0 0.794521 0.945205
22 ADX 0.794521 0.873418
23 ACQ 0.789474 0.945205
24 ANP 0.789474 0.945205
25 50T 0.783784 0.931507
26 6YZ 0.782051 0.945205
27 ABM 0.774648 0.917808
28 PRX 0.773333 0.893333
29 ATF 0.769231 0.932432
30 A22 0.7625 0.985915
31 A12 0.753425 0.932432
32 AP2 0.753425 0.932432
33 SRA 0.746479 0.893333
34 A3R 0.743902 0.907895
35 A1R 0.743902 0.907895
36 ADQ 0.743902 0.972222
37 T99 0.74359 0.932432
38 TAT 0.74359 0.932432
39 25L 0.741176 0.985915
40 5AL 0.734177 0.931507
41 APC 0.727273 0.932432
42 9X8 0.72619 0.92
43 OAD 0.72619 0.945205
44 AU1 0.723684 0.945205
45 G3A 0.719101 0.921053
46 SRP 0.716049 0.906667
47 G5P 0.711111 0.921053
48 8QN 0.710843 0.931507
49 3OD 0.709302 0.945205
50 GTA 0.703297 0.886076
51 4AD 0.702381 0.92
52 RBY 0.696203 0.932432
53 ADV 0.696203 0.932432
54 ADP PO3 0.696203 0.943662
55 00A 0.694118 0.907895
56 25A 0.690476 0.971831
57 5SV 0.690476 0.848101
58 OOB 0.690476 0.958333
59 BIS 0.689655 0.907895
60 AMO 0.682353 0.932432
61 PAJ 0.682353 0.884615
62 UP5 0.680851 0.945946
63 AHX 0.674419 0.896104
64 DLL 0.674419 0.958333
65 3UK 0.666667 0.945205
66 SON 0.666667 0.906667
67 ADP ALF 0.662651 0.87013
68 ALF ADP 0.662651 0.87013
69 LMS 0.662162 0.82716
70 A4P 0.659794 0.843373
71 LAD 0.659091 0.860759
72 WAQ 0.659091 0.883117
73 PR8 0.659091 0.85
74 B5V 0.659091 0.932432
75 MAP 0.658824 0.92
76 GAP 0.658537 0.893333
77 ITT 0.658228 0.916667
78 7D4 0.658228 0.88
79 AFH 0.655914 0.909091
80 ADP VO4 0.654762 0.931507
81 VO4 ADP 0.654762 0.931507
82 NB8 0.651685 0.896104
83 1ZZ 0.651685 0.839506
84 PTJ 0.651685 0.871795
85 FYA 0.651685 0.931507
86 TXA 0.651685 0.932432
87 ME8 0.651685 0.839506
88 DQV 0.648936 0.985915
89 T5A 0.646465 0.864198
90 DAL AMP 0.639535 0.905405
91 9SN 0.637363 0.896104
92 48N 0.635417 0.896104
93 XYA 0.632353 0.84507
94 ADN 0.632353 0.84507
95 RAB 0.632353 0.84507
96 9ZD 0.632184 0.883117
97 9ZA 0.632184 0.883117
98 B5M 0.630435 0.92
99 B5Y 0.630435 0.92
100 FA5 0.630435 0.932432
101 YAP 0.630435 0.92
102 NAI 0.628866 0.933333
103 DND 0.628866 0.958904
104 NAX 0.628866 0.897436
105 NXX 0.628866 0.958904
106 6V0 0.628866 0.921053
107 TXD 0.628866 0.933333
108 HFD 0.626506 0.92
109 XAH 0.623656 0.839506
110 AOC 0.623377 0.821918
111 TXE 0.622449 0.933333
112 OMR 0.622449 0.851852
113 2A5 0.621951 0.893333
114 4UV 0.617021 0.92
115 AP0 0.616162 0.921053
116 PAP 0.614458 0.957747
117 ATR 0.614458 0.943662
118 5N5 0.614286 0.819444
119 5AS 0.6125 0.77907
120 ADP BMA 0.611111 0.945205
121 A2R 0.609195 0.958333
122 CNA 0.607843 0.958904
123 7D3 0.607595 0.88
124 A4D 0.605634 0.819444
125 5CD 0.605634 0.805556
126 4UU 0.604167 0.92
127 GA7 0.604167 0.932432
128 4TC 0.6 0.921053
129 139 0.598039 0.897436
130 ADJ 0.598039 0.875
131 LAQ 0.591837 0.839506
132 A A 0.586957 0.944444
133 F2R 0.586538 0.841463
134 YLP 0.585859 0.819277
135 3AT 0.581395 0.944444
136 EP4 0.581081 0.753247
137 COD 0.580952 0.811765
138 JB6 0.580645 0.907895
139 A3P 0.580247 0.943662
140 4UW 0.58 0.884615
141 7D5 0.578947 0.853333
142 ATP A A A 0.578947 0.957747
143 MYR AMP 0.574468 0.817073
144 TYM 0.574257 0.932432
145 M2T 0.573333 0.734177
146 DTA 0.573333 0.810811
147 3DH 0.571429 0.773333
148 80F 0.570093 0.864198
149 G5A 0.569767 0.77907
150 YLB 0.568627 0.819277
151 UPA 0.568627 0.933333
152 YLC 0.568627 0.839506
153 TYR AMP 0.56701 0.894737
154 TSB 0.566667 0.819277
155 NAD 0.566038 0.958333
156 MTA 0.565789 0.773333
157 3AM 0.564103 0.902778
158 DTP 0.563218 0.88
159 SSA 0.561798 0.8
160 A2P 0.560976 0.929577
161 AHZ 0.56 0.817073
162 NA7 0.55914 0.932432
163 IOT 0.557692 0.809524
164 PPS 0.556818 0.85
165 6AD 0.556818 0.884615
166 A3D 0.555556 0.945205
167 AR6 AR6 0.555556 0.944444
168 54H 0.555556 0.788235
169 ARG AMP 0.555556 0.807229
170 VMS 0.555556 0.788235
171 YLA 0.552381 0.819277
172 AMP DBH 0.55102 0.918919
173 A5A 0.550562 0.807229
174 6RE 0.55 0.7375
175 TAD 0.55 0.884615
176 AYB 0.54717 0.809524
177 AVV 0.543478 0.896104
178 7MD 0.54 0.8625
179 52H 0.538462 0.77907
180 NSS 0.537634 0.8
181 ZAS 0.5375 0.766234
182 BTX 0.537037 0.819277
183 IMO 0.536585 0.902778
184 A3N 0.536585 0.786667
185 J7C 0.536585 0.746835
186 NAE 0.535714 0.92
187 AV2 0.533333 0.891892
188 8X1 0.532609 0.752809
189 53H 0.532609 0.77907
190 5CA 0.532609 0.8
191 BT5 0.53211 0.809524
192 NVA LMS 0.531915 0.752809
193 ARU 0.531915 0.8375
194 2AM 0.531646 0.916667
195 9K8 0.53125 0.733333
196 NAQ 0.530973 0.896104
197 EAD 0.530435 0.897436
198 S4M 0.53012 0.666667
199 AF3 ADP 3PG 0.528846 0.8375
200 7DT 0.528736 0.957747
201 DDS 0.52809 0.853333
202 V3L 0.52809 0.944444
203 ZID 0.526316 0.945205
204 LEU LMS 0.526316 0.752809
205 DSH 0.52439 0.725
206 LPA AMP 0.524272 0.817073
207 MAO 0.52381 0.759036
208 LSS 0.521277 0.761364
209 DSZ 0.521277 0.8
210 P5A 0.520833 0.744444
211 DZD 0.518182 0.909091
212 DAT 0.517241 0.88
213 5X8 0.517241 0.763158
214 GP3 0.516854 0.921053
215 FB0 0.516667 0.784091
216 RGT 0.515152 0.932432
217 5AD 0.513889 0.746479
218 M24 0.513274 0.873418
219 YLY 0.513274 0.809524
220 N0B 0.513043 0.841463
221 P1H 0.512605 0.875
222 OVE 0.512195 0.88
223 GJV 0.511905 0.728395
224 7MC 0.509434 0.841463
225 NAJ PZO 0.508929 0.871795
226 GSU 0.505155 0.77907
227 KAA 0.505155 0.752809
228 SFG 0.5 0.75
229 6C6 0.5 0.857143
230 NDE 0.5 0.932432
231 NJP 0.5 0.945946
232 FDA 0.495935 0.833333
233 0WD 0.495495 0.921053
234 AMP NAD 0.495495 0.931507
235 4TA 0.495495 0.829268
236 YSA 0.49505 0.8
237 A7D 0.494253 0.776316
238 7DD 0.494253 0.957747
239 6FA 0.491935 0.864198
240 NDC 0.491803 0.896104
241 NAJ PYZ 0.491379 0.829268
242 128 0.490566 0.776471
243 A5D 0.488889 0.810811
244 SA8 0.488889 0.707317
245 MHZ 0.488636 0.697674
246 71V 0.488372 0.883117
247 NEC 0.488095 0.746667
248 A3G 0.488095 0.8
249 Y3J 0.486842 0.726027
250 ODP 0.486486 0.909091
251 7D7 0.486486 0.743243
252 8PZ 0.485149 0.821429
253 GGZ 0.484211 0.825
254 SFD 0.484127 0.752688
255 FAD 0.484127 0.875
256 FAS 0.484127 0.875
257 SAH 0.483516 0.74359
258 SAI 0.483516 0.734177
259 G A A A 0.482143 0.871795
260 NDP 0.481818 0.921053
261 NPW 0.481818 0.886076
262 PO4 PO4 A A A A PO4 0.479592 0.929577
263 GTP 0.478723 0.894737
264 SMM 0.478723 0.686047
265 SAM 0.478261 0.690476
266 6IA 0.478261 0.814815
267 NZQ 0.477477 0.909091
268 TXP 0.477477 0.921053
269 AAT 0.473118 0.707317
270 EEM 0.473118 0.690476
271 PGS 0.47191 0.858974
272 7C5 0.471154 0.818182
273 DA 0.470588 0.853333
274 D5M 0.470588 0.853333
275 U A 0.469565 0.907895
276 FNK 0.469231 0.804598
277 62F 0.469231 0.886076
278 A G 0.469027 0.883117
279 GSP 0.46875 0.85
280 2SA 0.468085 0.906667
281 HDV 0.468085 0.868421
282 A3T 0.466667 0.821918
283 FAY 0.465649 0.886076
284 AAM 0.465116 0.943662
285 U A G G 0.464912 0.883117
286 A A A 0.464646 0.905405
287 GEK 0.463918 0.7375
288 AMZ 0.463415 0.890411
289 C2R 0.463415 0.878378
290 S7M 0.463158 0.690476
291 4YB 0.462264 0.781609
292 RFL 0.462121 0.843373
293 A3S 0.460674 0.810811
294 WSA 0.458716 0.809524
295 Z5A 0.458333 0.8
296 XNP 0.45614 0.873418
297 AIR 0.455696 0.875
298 N6P 0.454545 0.915493
299 8Q2 0.454545 0.793103
300 62X 0.454545 0.666667
301 ETB 0.452991 0.811765
302 DCA 0.452991 0.802326
303 NIA 0.452381 0.8
304 A6D 0.45 0.743902
305 K15 0.45 0.682353
306 PUA 0.449153 0.884615
307 6K6 0.44898 0.90411
308 9JJ 0.448529 0.886076
309 6G0 0.447917 0.860759
310 V1N 0.447619 0.944444
311 GDP 0.446809 0.894737
312 649 0.445455 0.764045
313 COA 0.445378 0.802326
314 0T1 0.445378 0.802326
315 12D 0.444444 0.785714
316 0UM 0.444444 0.698795
317 GCP 0.443299 0.871795
318 G1R 0.443299 0.883117
319 3AD 0.443038 0.805556
320 GNH 0.442105 0.883117
321 P5F 0.442029 0.823529
322 101 0.44186 0.853333
323 NVA 2AD 0.44086 0.759494
324 NAP 0.438017 0.945205
325 A U 0.4375 0.894737
326 MGP 0.4375 0.860759
327 APU 0.4375 0.894737
328 KB1 0.436893 0.719512
329 7RP 0.436782 0.901408
330 F2N 0.435714 0.813953
331 2VA 0.434783 0.8
332 CAO 0.434426 0.775281
333 AMX 0.434426 0.811765
334 TAP 0.434426 0.907895
335 30N 0.434426 0.734043
336 DG1 0.434426 0.921053
337 1DG 0.434426 0.921053
338 COS 0.434426 0.784091
339 S8M 0.434343 0.759494
340 GTG 0.433962 0.886076
341 FA9 0.432624 0.864198
342 7RA 0.431818 0.930556
343 AS 0.431818 0.810127
344 NHD 0.431034 0.931507
345 SCO 0.430894 0.802326
346 CMX 0.430894 0.802326
347 NA0 0.430894 0.932432
348 QQY 0.430233 0.815789
349 ACK 0.430233 0.861111
350 CC5 0.428571 0.816901
351 FCX 0.427419 0.775281
352 FAM 0.427419 0.784091
353 ACO 0.427419 0.775281
354 SXZ 0.427184 0.710843
355 EO7 0.426966 0.788235
356 8BR 0.426966 0.881579
357 GDC 0.424528 0.884615
358 GKE 0.424528 0.884615
359 GDD 0.424528 0.884615
360 GNP 0.424242 0.871795
361 9GM 0.424242 0.871795
362 HAX 0.424 0.784091
363 TM1 0.423077 0.77381
364 2BA 0.422222 0.942857
365 CMP 0.422222 0.928571
366 2MC 0.421875 0.75
367 SO8 0.421053 0.789474
368 3KK 0.420635 0.784091
369 FYN 0.420635 0.802326
370 SLU 0.420168 0.790698
371 26A 0.419753 0.763158
372 7L1 0.419355 0.775281
373 NMN AMP PO4 0.418803 0.894737
374 QQX 0.418605 0.805195
375 MGO 0.418367 0.8375
376 G2R 0.417476 0.860759
377 SOP 0.417323 0.784091
378 MCD 0.417323 0.784091
379 CA6 0.417323 0.71134
380 OXK 0.417323 0.784091
381 COK 0.417323 0.784091
382 FAI 0.41573 0.890411
383 RMB 0.41573 0.847222
384 1VU 0.414062 0.775281
385 NMX 0.414062 0.741935
386 CMC 0.414062 0.784091
387 CO6 0.414062 0.784091
388 RP1 0.413793 0.866667
389 1RB 0.413793 0.859155
390 SP1 0.413793 0.866667
391 ANZ 0.412844 0.8
392 SCA 0.412214 0.784091
393 NFD 0.411765 0.907895
394 J7V 0.41129 0.833333
395 SCD 0.410853 0.802326
396 CAJ 0.410853 0.784091
397 IDP 0.410526 0.893333
398 ZDA 0.410526 0.84
399 D3Y 0.41 0.813333
400 KH3 0.409091 0.674419
401 G 0.408602 0.881579
402 5GP 0.408602 0.881579
403 A C A C 0.408333 0.871795
404 N01 0.408333 0.931507
405 R5I 0.408163 0.893333
406 R7I 0.408163 0.893333
407 G2Q 0.407767 0.860759
408 MLC 0.407692 0.784091
409 A1S 0.407692 0.784091
410 BCO 0.407692 0.784091
411 3HC 0.407692 0.793103
412 IVC 0.407692 0.793103
413 1HE 0.407692 0.766667
414 3D1 0.407407 0.773333
415 3L1 0.407407 0.773333
416 VRT 0.40625 0.769231
417 CAA 0.40458 0.793103
418 COO 0.40458 0.784091
419 MCA 0.40458 0.775281
420 YE1 0.40458 0.813953
421 GMV 0.40404 0.871795
422 HF7 0.40404 0.868421
423 3NZ 0.403846 0.805195
424 2FA 0.402439 0.813333
425 PRT 0.401869 0.905405
426 ZZB 0.401709 0.77381
427 MC4 0.401515 0.741935
428 2CP 0.401515 0.775281
429 FAD NBT 0.4 0.75
430 P2P 0.4 0.876712
431 JLN 0.4 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: 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 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: 40
This union binding pocket(no: 6) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 4WBD CIT 1.59363
2 4PPF FLC 2.57143
3 2AWN ADP 2.62467
4 5X2N ALA 2.66667
5 1V1A ADP 2.91262
6 2C3H GLC GLC 3.06122
7 3G5N PB2 3.18725
8 4XDA ADP 3.23625
9 4XDA RIB 3.23625
10 5FJJ MAN 3.38645
11 1XP8 AGS 3.82514
12 2WW4 ADP 3.88693
13 2HW1 ANP 4.02685
14 3LOO B4P 4.38356
15 1GXU 2HP 4.3956
16 2VAR ANP 4.47284
17 4XCP PLM 4.70588
18 2OUA AES 5.31915
19 5O22 C3R 5.53633
20 3QRC SCR 5.73248
21 4C5N ACP 5.7971
22 4C5N PXL 5.7971
23 1JI0 ATP 6.25
24 3ZS7 ATP 6.66667
25 2JG1 ANP 7.27273
26 3B9Q MLI 7.28477
27 5Z21 OXM 7.37052
28 1IZC PYR 7.37463
29 4GO7 THR 7.5
30 2JGV ADP 7.57576
31 3LEK BCW 7.84314
32 3O5N BR0 10.7143
33 4EN4 GT0 11.5538
34 1R0X ATP 11.8881
35 4NTO 1PW 13.0435
36 2BVE PH5 15.126
37 2DT9 THR 20.9581
38 3AB4 THR 21.3483
39 2DTJ THR 21.3483
40 4DE3 DN8 26.2357
Pocket No.: 7; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3rs8.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3RS8; Ligand: ALA TRP LEU PHE GLU ALA; Similar sites found with APoc: 256
This union binding pocket(no: 17) in the query (biounit: 3rs8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 5ET3 60C None
3 1UO4 PIH None
4 4QEK GLC 0.996678
5 1HFU NAG NDG 1.19522
6 1V25 ANP 1.39442
7 5AZ1 NDP 1.41643
8 4XRZ SI6 1.46138
9 4F06 PHB 1.61725
10 6DIO CIT 1.6317
11 5Y24 GLY MET PRO ARG GLY ALA 1.76768
12 4Y9J UCC 1.79283
13 4ZBR DIF 1.79283
14 4ZBR NPS 1.79283
15 1HK8 DGT 1.79283
16 4O1Z MXM 1.79283
17 4XB4 45D 1.97368
18 1JG9 GLC 1.99203
19 1LQA NDP 2.02312
20 6BA2 7KM 2.0339
21 1EYN 2AN 2.14797
22 4EO3 FMN 2.17391
23 6FCX FAD 2.19124
24 3W5N RAM 2.39044
25 2O1V ADP 2.39044
26 5HCY 60D 2.41692
27 1FP1 HCC 2.41935
28 6F5W KG1 2.43902
29 2P3I MNA 2.48447
30 3L1N PLM 2.57732
31 2WQP WQP 2.5788
32 4NFN 2KC 2.589
33 5LOF 70R 2.58964
34 6C1R EFD 2.60664
35 6H21 UD1 2.6087
36 5OHJ 9VE 2.61283
37 3FXU TSU 2.62295
38 5MJA 7O3 2.62295
39 5L83 ASP TRP GLU ILE VAL 2.67857
40 6CB2 OLC 2.73038
41 1XMU ROF 2.76382
42 1XM4 PIL 2.76382
43 1XMY ROL 2.76382
44 1ZQ5 NAP 2.78638
45 1ZQ5 E04 2.78638
46 3NTY 5P3 2.78638
47 3NTY NAP 2.78638
48 6APV 3L4 2.78884
49 1Q7E MET 2.80374
50 2E1T MLC 2.86344
51 3PE2 E1B 2.96736
52 1MZV AMP 2.97872
53 1N0U SO1 2.98805
54 3COW 52H 2.99003
55 6A0S NDP 3.01205
56 4XCL AGS 3.0888
57 5UBG PRT 3.09735
58 3GWT 066 3.11615
59 1L6O SER LEU LYS LEU MET THR THR VAL 3.15789
60 5WXH ALA ARG THR M3L GLN THR ALA 3.1746
61 3G5N PB2 3.18725
62 1LVK MNT BEF 3.18725
63 2Z7I 742 3.18725
64 5ZCM NDP DTT 3.22581
65 1LBF 137 3.23887
66 3WCA FPS 3.28767
67 3QKD HI0 3.31492
68 5Y1G AKB 3.35366
69 3F5O UOC COA 3.37838
70 5NM7 GLY 3.38346
71 1QB7 ADE 3.38983
72 1MI3 NAD 3.41615
73 4MFL MFK 3.47826
74 1J78 VDY 3.49345
75 5EKO N17 3.50404
76 5N81 8Q2 3.51288
77 3V66 D3A 3.52941
78 4MFZ MFK 3.53982
79 4V1T ADP 3.58566
80 3KV8 FAH 3.59712
81 5T79 NDP 3.61446
82 1OPK P16 3.63636
83 1MV8 NAD 3.66972
84 1MUU NAD 3.66972
85 3OFK SAH 3.7037
86 1XSE NDP 3.72881
87 2FXU BID 3.73333
88 5XVG 8FX 3.75427
89 5CSD ACD 3.77358
90 5Z6T NAP 3.79009
91 3WDM ADN 3.83142
92 5FUS DAO 3.83275
93 2WZM NA7 3.88693
94 4EOY ASN ASP TRP LEU LEU PRO SER TYR 3.90625
95 1USF NAP 3.93258
96 1USF FMN 3.93258
97 3O3R NAP 3.98406
98 4MRP GSH 3.98406
99 3CV7 NAP 4
100 3CV7 C2U 4
101 5B4B LP5 4.03226
102 1LEK GLU GLN TYR LYS PHE TYR SER VAL 4.0404
103 4D04 FAD 4.05904
104 4D04 NAP 4.05904
105 1YNQ NDP 4.10095
106 1QV1 CZH 4.10256
107 1JF0 CZH 4.10256
108 1ZGD NAP 4.16667
109 5G57 6M5 4.16667
110 2Z48 NGA 4.16667
111 3R9V DXC 4.1958
112 5NTP 98E 4.20168
113 3WCZ NAP 4.22078
114 4RHP PEF 4.25532
115 3S6X SIA GAL BGC 4.30769
116 5N26 CPT 4.3956
117 6BMM OLB 4.43686
118 5NWI TYR PHE SER SEP ASN 4.58015
119 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 4.58167
120 4U60 SIA 4.64286
121 4U60 SIA GAL BGC NGA GAL 4.64286
122 4U60 SIA GAL NGA 4.64286
123 1VP5 NAP 4.69799
124 1N6B DMZ 4.86258
125 5K52 OCD 4.90566
126 5TDF 7A3 4.93827
127 5U97 PIT 4.98008
128 4INW 1EY 5
129 2GU8 796 5.04451
130 3KPX CZH 5.05051
131 4O4K 2PK 5.05952
132 5AAV GW5 5.15873
133 5JH2 A2P 5.16129
134 4IPE ANP 5.17928
135 4IVG ANP 5.17928
136 3G6K POP 5.19481
137 3G6K FAD 5.19481
138 3CAQ NDP 5.21472
139 3N2S FMN 5.22088
140 4UYW H1S 5.22193
141 3SJK LYS PRO VAL LEU ARG THR ALA 5.26316
142 3SM2 478 5.30303
143 5VJN ADE 5.34759
144 5VJN IR8 5.34759
145 4JD3 PLM 5.38244
146 4JD3 COA 5.38244
147 1BKJ FMN 5.41667
148 1F5V FMN 5.41667
149 2WSI FAD 5.55556
150 5C1M OLC 5.6
151 5CUQ NSC 5.61798
152 3ND6 ATP 5.84795
153 5D9J 0N8 5.88235
154 2PID YSA 5.89888
155 4RW3 TDA 5.96026
156 3I59 N6R 6.0241
157 1VBJ NAP 6.04982
158 5G5G FAD 6.11354
159 1ZSQ PIB 6.1753
160 5KK4 44E 6.25
161 3H7U NAP 6.26866
162 3R1V AZB 6.29921
163 4Q0A 4OA 6.3745
164 3TGE TGE 6.44172
165 1L1Q 9DA 6.45161
166 6BMS PLM 6.45161
167 2ZCQ B65 6.48464
168 1JGS SAL 6.52174
169 1LSH PLD 6.58307
170 4TWP AXI 6.64207
171 1FRB ZST 6.66667
172 1BWO LPC 6.66667
173 2HK5 1BM 6.66667
174 3KFC 61X 6.71937
175 3HBV ALA LYS ALA SER GLN ALA ALA 6.92641
176 4PYW ACE THR THR ALA ILE NH2 6.93069
177 1T0S BML 6.97674
178 4BNU 9KQ 7.0632
179 4P86 5GP 7.10383
180 2BGS NDP 7.26744
181 2GSQ GBI 7.42574
182 3GF2 SAL 7.53425
183 5KHD C2E 7.69231
184 1UVC STE 7.69231
185 1RE0 AFB 7.69231
186 3E7O 35F 7.77778
187 5HDJ FMN 7.7821
188 5TO8 7FM 7.80142
189 4JTA NAP 7.80781
190 3RV5 DXC 7.86517
191 1ZUA NAP 7.88644
192 1ZUA TOL 7.88644
193 3EAU NDP 7.95107
194 3EAU PDN 7.95107
195 3G58 988 7.96813
196 3G4G D71 7.96813
197 1XON PIL 7.96813
198 1WN3 HXC 8.08823
199 6GL8 F3Q 8.13953
200 5TVI MYR 8.69565
201 1EXB NDP 8.73786
202 5W3Y IHP 8.80682
203 1UHK CZN 8.90052
204 1UUY PPI 8.98204
205 6FCH PRP 8.98876
206 5MW4 5JU 9.28144
207 1G27 BB1 9.52381
208 2FV5 541 9.57854
209 5OVV ACE ILE GLU SER THR GLU ILE 9.7561
210 5V4R MGT 9.87654
211 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 9.92908
212 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 10
213 5LX9 OLB 10.0977
214 5U98 1KX 10.101
215 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 10.101
216 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 10.2041
217 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 10.5263
218 5OCA 9QZ 10.5991
219 1DQE BOM 10.9489
220 4J6W CTP 10.9756
221 1R1Q ACE ARG GLU PTR VAL ASN VAL 11
222 5E6O TRP GLU GLU LEU 11.0169
223 1L0I PSR 11.5385
224 1MWH GTG 11.5538
225 5WHT SIA GAL GLC 11.5942
226 2D5X L35 11.6438
227 1EKO NAP 11.746
228 1EKO I84 11.746
229 4URX FK1 11.8919
230 5O0B 9FE 12.3457
231 2GWH PCI 13.0872
232 6MPT C30 13.6364
233 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 13.7931
234 6C8X BVR 14.1414
235 6GMN F4E 14.1975
236 2NV4 SAM 14.2857
237 2HFP NSI 14.2857
238 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 14.6444
239 4WNB 4BN 14.7287
240 5XJ7 87O 14.9254
241 5XJ8 NKO 14.9254
242 1PZM 5GP 15.6398
243 4OGQ 7PH 16.2162
244 3KP6 SAL 16.5563
245 4O4Z N2O 16.8831
246 3WFD AXO 17.3333
247 5ZCO PEK 17.3913
248 5Z84 PGV 17.3913
249 5Z84 TGL 17.3913
250 5ZCO PGV 17.3913
251 5Z84 CHD 17.3913
252 1CLU DBG 17.4699
253 4P83 U5P 17.5824
254 2VWA PTY 17.8218
255 5W3X IHP 18.75
256 4FOU C2E 20.8333
Pocket No.: 18; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: 124
This union binding pocket(no: 23) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 4WG0 CHD None
3 5YRG BGC GLC 1.40845
4 5YRF GLC GLC 1.40845
5 1GJW GLC 1.59363
6 3GDN MXN 1.59363
7 4D1J DGJ 1.59363
8 4F06 PHB 1.61725
9 2CIX CEJ 1.67224
10 2BMB PMM 1.79283
11 5G6U TRP 1.91571
12 2HZL PYR 1.91781
13 1W62 PYC 1.93237
14 1RTF BEN 1.98413
15 3K5I AIR 1.98511
16 5ZXD ATP 1.99203
17 2CFC KPC 2
18 6APL C5P 2.13904
19 5IUY BOG 2.20751
20 3W5N RAM 2.39044
21 3UNG ADP 2.39044
22 4G86 BNT 2.46479
23 3E7S AT2 2.5522
24 2Q0L NAP 2.57235
25 3ITJ CIT 2.66272
26 4IP7 FLC 2.78884
27 3N2O AG2 2.78884
28 3LL5 IP8 2.81124
29 5YRJ BGC GLC 2.8169
30 5OSW DIU 3.18725
31 3A70 NPO 3.18725
32 3A06 NDP 3.19149
33 5EO8 TFU 3.21543
34 3GUZ PAF 3.40909
35 5HTX ADP 3.41686
36 2HFK E4H 3.44828
37 1T32 OHH 3.57143
38 2BDG PBZ 3.58744
39 3CEV ARG 3.67893
40 4GN8 ASO 3.67893
41 4CP8 MLI 3.6961
42 5ZI9 FLC 3.84615
43 3JUC PCA 3.92157
44 2FJK 13P 3.93443
45 4MRP GSH 3.98406
46 5IFK HPA 4.48718
47 5HWK BEZ 4.58333
48 2YVJ NAI 4.65686
49 2RI1 GLP 4.68085
50 3WH2 FLC 4.7619
51 2HYR BGC GLC 4.91803
52 2NUO BGC 4.91803
53 2HYQ MAN MAN 4.91803
54 4MGA 27L 5.09804
55 1S14 NOV 5.15464
56 1XZ3 ICF 5.17241
57 4IU6 FZ1 5.20833
58 5BQS 4VN 5.26316
59 5UC9 MYR 5.30973
60 1NXJ TLA 5.46448
61 5C1M OLC 5.6
62 4HE2 AMP 5.6213
63 5VOP C2F 5.74324
64 5OLK DTP 5.81395
65 4RW3 PLM 5.96026
66 4RW3 TDA 5.96026
67 4UP3 NDP 6.05096
68 1LNX URI 6.17284
69 2OCI TYC 6.29921
70 4K79 GAL A2G 6.36364
71 4Q0A 4OA 6.3745
72 5HJQ I3P 6.38298
73 3NOJ PYR 6.72269
74 5Z5I XYP 6.814
75 3GFS FMN 6.89655
76 5HCT 61P 6.92124
77 6B74 BEN 6.99588
78 5X13 HC4 7.17131
79 4NFE BEN 7.173
80 1SW0 PGA 7.25806
81 1USR SIA WIA 7.37052
82 1USR SIA 7.37052
83 1SZO CAX 7.393
84 3LXI CAM 7.60095
85 1LQY BB2 7.6087
86 3N7S 3N7 7.82609
87 2WDQ TEO 7.82609
88 3RV5 DXC 7.86517
89 5ZBL AMP 7.88177
90 3G58 988 7.96813
91 3CYI ATP 8.18182
92 1KJ8 GAR 8.18414
93 5XJD 87L 8.63636
94 5TVI O8N 8.69565
95 5TVI MYR 8.69565
96 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.84354
97 5NC1 NAG 8.86076
98 5BSZ THM 9.6
99 4JX1 CAH 9.63855
100 5FII PHE 9.80392
101 5V4R MGT 9.87654
102 5LX9 OLB 10.0977
103 1XF1 CIT 10.1594
104 1NU4 MLA 10.3093
105 5OCA 9QZ 10.5991
106 2PKA BEN 11.1842
107 2Y69 CHD 11.4286
108 1L0I PSR 11.5385
109 2JE7 XMM 12.1339
110 1ECM TSA 12.844
111 3KP6 SAL 16.5563
112 4K7O EKZ 16.6667
113 4O4Z N2O 16.8831
114 1VL1 CIT 17.1315
115 5Z84 CHD 17.3913
116 5W97 CHD 17.3913
117 5ZCO CHD 17.3913
118 4V1F BQ1 17.4419
119 3ZQE DXC 17.7049
120 6FLZ MMA 19.4444
121 2V7Q ADP 20
122 4RJD TFP 21.2121
123 3RO7 TDR 35.0943
124 3ROE THM 35.0943
Pocket No.: 24; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 3RS8; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 3rs8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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