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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA TRP LEU PHE GLU ALA B:1;
Valid;
none;
submit data n/a n/a n/a n/a
APR A:493;
A:494;
A:495;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 5.1 uM
559.316 C15 H23 N5 O14 P2 c1nc(...
GOL A:496;
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: APR; Similar ligands found: 398
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 ADV 0.805195 0.958904
10 RBY 0.805195 0.958904
11 HEJ 0.802632 0.971831
12 ATP 0.802632 0.971831
13 AT4 0.8 0.932432
14 AN2 0.8 0.958333
15 5FA 0.792208 0.971831
16 AQP 0.792208 0.971831
17 AD9 0.782051 0.945205
18 AGS 0.782051 0.92
19 SAP 0.782051 0.92
20 ACP 0.779221 0.945205
21 A 0.753425 0.943662
22 AMP 0.753425 0.943662
23 3OD 0.747126 0.972222
24 PRX 0.746835 0.893333
25 9X8 0.744186 0.945946
26 OAD 0.744186 0.972222
27 CA0 0.74359 0.972222
28 ADX 0.74359 0.873418
29 ACQ 0.740741 0.945205
30 ANP 0.740741 0.945205
31 A22 0.738095 0.958333
32 50T 0.734177 0.931507
33 A2R 0.72619 0.985915
34 ABM 0.723684 0.917808
35 ATF 0.722892 0.932432
36 A1R 0.72093 0.907895
37 ADQ 0.72093 0.972222
38 A3R 0.72093 0.907895
39 6YZ 0.714286 0.945205
40 A12 0.705128 0.932432
41 AP2 0.705128 0.932432
42 SRA 0.697368 0.893333
43 5AL 0.690476 0.958333
44 APC 0.682927 0.932432
45 AU1 0.679012 0.945205
46 TAT 0.678571 0.932432
47 T99 0.678571 0.932432
48 SRP 0.674419 0.932432
49 BIS 0.67033 0.907895
50 25L 0.663043 0.958333
51 4AD 0.662921 0.945946
52 DLL 0.655556 0.958333
53 00A 0.655556 0.907895
54 ADP PO3 0.654762 0.943662
55 8QN 0.651685 0.958333
56 5SV 0.651685 0.848101
57 OOB 0.651685 0.958333
58 25A 0.651685 0.944444
59 DQV 0.649485 0.958333
60 PAJ 0.644444 0.909091
61 AMO 0.644444 0.958904
62 MAP 0.640449 0.92
63 OMR 0.64 0.875
64 AFH 0.639175 0.909091
65 AHX 0.637363 0.896104
66 FYA 0.634409 0.905405
67 3UK 0.630435 0.945205
68 NAX 0.63 0.873418
69 G3A 0.628866 0.896104
70 SON 0.626506 0.932432
71 ALF ADP 0.625 0.87013
72 ADP ALF 0.625 0.87013
73 B5V 0.623656 0.932432
74 PR8 0.623656 0.873418
75 WAQ 0.623656 0.907895
76 LAD 0.623656 0.884615
77 G5P 0.622449 0.896104
78 GAP 0.62069 0.918919
79 LMS 0.620253 0.82716
80 48N 0.62 0.921053
81 ADP VO4 0.617977 0.931507
82 VO4 ADP 0.617977 0.931507
83 AP0 0.617647 0.896104
84 ME8 0.617021 0.8625
85 TXA 0.617021 0.958904
86 PTJ 0.617021 0.896104
87 1ZZ 0.617021 0.8625
88 NB8 0.617021 0.921053
89 GTA 0.616162 0.8625
90 FA5 0.614583 0.932432
91 TXD 0.613861 0.907895
92 NAI 0.613861 0.907895
93 6V0 0.613861 0.896104
94 DND 0.613861 0.958904
95 NXX 0.613861 0.958904
96 TXE 0.607843 0.907895
97 DAL AMP 0.604396 0.931507
98 9SN 0.604167 0.896104
99 UP5 0.598039 0.92
100 YAP 0.597938 0.92
101 B5Y 0.597938 0.92
102 B5M 0.597938 0.92
103 9ZD 0.597826 0.907895
104 9ZA 0.597826 0.907895
105 XAH 0.591837 0.839506
106 RAB 0.589041 0.84507
107 ADN 0.589041 0.84507
108 XYA 0.589041 0.84507
109 2A5 0.586207 0.893333
110 4UV 0.585859 0.92
111 AOC 0.585366 0.821918
112 ADJ 0.584906 0.875
113 7D4 0.581395 0.88
114 ITT 0.581395 0.916667
115 A4P 0.580952 0.821429
116 ATR 0.579545 0.943662
117 PAP 0.579545 0.957747
118 CNA 0.579439 0.932432
119 ADP BMA 0.578947 0.945205
120 5AS 0.576471 0.77907
121 4UU 0.574257 0.92
122 GA7 0.574257 0.906667
123 F2R 0.574074 0.864198
124 5N5 0.573333 0.819444
125 7D3 0.571429 0.88
126 4TC 0.571429 0.896104
127 139 0.570093 0.873418
128 T5A 0.570093 0.841463
129 COD 0.568807 0.811765
130 JB6 0.56701 0.883117
131 A4D 0.565789 0.819444
132 5CD 0.565789 0.805556
133 EP4 0.564103 0.753247
134 LAQ 0.563107 0.8625
135 NA7 0.5625 0.932432
136 TYM 0.561905 0.932432
137 80F 0.558559 0.864198
138 YLP 0.557692 0.841463
139 A A 0.556701 0.917808
140 G5A 0.555556 0.77907
141 HFD 0.555556 0.92
142 4UW 0.552381 0.884615
143 ATP A A A 0.55 0.930556
144 AVV 0.547368 0.896104
145 A3P 0.546512 0.943662
146 MYR AMP 0.545455 0.839506
147 7D5 0.54321 0.853333
148 G1R 0.542553 0.907895
149 YLC 0.542056 0.8625
150 UPA 0.542056 0.907895
151 YLB 0.542056 0.841463
152 NAD 0.540541 0.931507
153 TYR AMP 0.539216 0.894737
154 AMP DBH 0.539216 0.918919
155 TAD 0.538462 0.884615
156 DTA 0.5375 0.786667
157 M2T 0.5375 0.734177
158 3DH 0.536585 0.773333
159 AYB 0.536364 0.831325
160 EAD 0.533898 0.873418
161 AHZ 0.533333 0.839506
162 FB0 0.532787 0.784091
163 IOT 0.53211 0.831325
164 A3D 0.530973 0.918919
165 MTA 0.530864 0.773333
166 3AM 0.53012 0.902778
167 ARG AMP 0.528846 0.829268
168 AR6 AR6 0.528846 0.944444
169 A2P 0.528736 0.929577
170 YLA 0.527273 0.841463
171 6AD 0.526882 0.884615
172 PPS 0.526882 0.85
173 BTX 0.526786 0.819277
174 NAE 0.525862 0.894737
175 BT5 0.522124 0.831325
176 A5A 0.521277 0.807229
177 TSB 0.520833 0.819277
178 6RE 0.517647 0.7375
179 P1H 0.516393 0.851852
180 3AT 0.516129 0.944444
181 SSA 0.515789 0.8
182 7MD 0.514286 0.886076
183 54H 0.510417 0.788235
184 52H 0.510417 0.77907
185 VMS 0.510417 0.788235
186 NSS 0.510204 0.8
187 NAQ 0.508475 0.871795
188 ZAS 0.505882 0.766234
189 IMO 0.505747 0.902778
190 J7C 0.505747 0.746835
191 A3N 0.505747 0.786667
192 AV2 0.505263 0.891892
193 R5I 0.505263 0.918919
194 R7I 0.505263 0.918919
195 53H 0.505155 0.77907
196 5CA 0.505155 0.8
197 8X1 0.505155 0.752809
198 ARU 0.50505 0.8375
199 NVA LMS 0.50505 0.752809
200 9K8 0.504951 0.733333
201 AF3 ADP 3PG 0.504587 0.860759
202 YLY 0.504274 0.831325
203 ZID 0.504202 0.918919
204 S4M 0.5 0.666667
205 V3L 0.5 0.971831
206 FDA 0.5 0.811765
207 LEU LMS 0.5 0.752809
208 DTP 0.5 0.88
209 LPA AMP 0.5 0.839506
210 2AM 0.5 0.916667
211 FNK 0.496183 0.784091
212 6FA 0.496063 0.841463
213 DZD 0.495652 0.884615
214 P5A 0.49505 0.744444
215 DSZ 0.494949 0.821429
216 LSS 0.494949 0.761364
217 MAO 0.494382 0.759036
218 DSH 0.494253 0.725
219 M24 0.491525 0.873418
220 NJP 0.491228 0.92
221 5X8 0.48913 0.786667
222 DAT 0.48913 0.88
223 SFD 0.488372 0.734043
224 FAS 0.488372 0.851852
225 FAD 0.488372 0.851852
226 NAJ PZO 0.487179 0.848101
227 0WD 0.486957 0.896104
228 NPW 0.486726 0.8625
229 7MC 0.486486 0.864198
230 7DT 0.483871 0.957747
231 7DD 0.483516 0.957747
232 GJV 0.483146 0.728395
233 OVE 0.482759 0.88
234 5AD 0.480519 0.746479
235 GSU 0.480392 0.8
236 KAA 0.480392 0.752809
237 NDE 0.48 0.906667
238 N0B 0.479339 0.841463
239 A5D 0.478723 0.786667
240 ODP 0.478261 0.884615
241 RGT 0.47619 0.958904
242 XNP 0.474138 0.85
243 4TA 0.474138 0.807229
244 AMP NAD 0.474138 0.931507
245 62F 0.473684 0.8625
246 NDP 0.473684 0.896104
247 SFG 0.473118 0.773333
248 NDC 0.472441 0.871795
249 YSA 0.471698 0.77907
250 NAJ PYZ 0.471074 0.807229
251 ENP 0.470588 0.918919
252 FAY 0.470149 0.8625
253 TXP 0.469565 0.896104
254 NZQ 0.469565 0.884615
255 DDS 0.46875 0.853333
256 A7D 0.467391 0.776316
257 RFL 0.466667 0.821429
258 ENQ 0.466019 0.943662
259 AAT 0.463918 0.707317
260 SA8 0.463158 0.728395
261 7C5 0.462963 0.818182
262 MHZ 0.462366 0.697674
263 8PZ 0.462264 0.8
264 71V 0.461538 0.883117
265 G A A A 0.461538 0.848101
266 F2N 0.460993 0.793103
267 NEC 0.460674 0.746667
268 A3G 0.460674 0.8
269 GGZ 0.46 0.825
270 6C6 0.458333 0.857143
271 SAH 0.458333 0.766234
272 SAI 0.458333 0.75641
273 P5F 0.457143 0.823529
274 Y3J 0.45679 0.726027
275 A A A 0.456311 0.905405
276 PO4 PO4 A A A A PO4 0.456311 0.902778
277 7D7 0.455696 0.743243
278 SMM 0.454545 0.705882
279 V1N 0.453704 0.944444
280 6IA 0.453608 0.814815
281 SAM 0.453608 0.710843
282 WSA 0.451327 0.788235
283 U A 0.45 0.883117
284 A G 0.449153 0.858974
285 EEM 0.44898 0.710843
286 PGS 0.446809 0.858974
287 ETB 0.446281 0.811765
288 DCA 0.446281 0.802326
289 U A G G 0.445378 0.858974
290 2SA 0.444444 0.932432
291 D5M 0.444444 0.853333
292 DA 0.444444 0.853333
293 GP3 0.443299 0.896104
294 9JJ 0.442857 0.8625
295 128 0.442478 0.776471
296 4YB 0.441441 0.781609
297 GEK 0.441176 0.759494
298 Z5A 0.44 0.77907
299 30N 0.44 0.734043
300 S7M 0.44 0.710843
301 AAM 0.43956 0.943662
302 0T1 0.439024 0.802326
303 COA 0.439024 0.802326
304 12D 0.4375 0.785714
305 FA9 0.4375 0.841463
306 C2R 0.436782 0.90411
307 AMZ 0.436782 0.890411
308 A3S 0.43617 0.810811
309 N6P 0.432692 0.888889
310 PUA 0.430894 0.860759
311 COS 0.428571 0.784091
312 TAP 0.428571 0.883117
313 AMX 0.428571 0.811765
314 1DG 0.428571 0.896104
315 CAO 0.428571 0.775281
316 AIR 0.428571 0.875
317 A6D 0.428571 0.722892
318 DG1 0.428571 0.896104
319 6K6 0.427184 0.90411
320 A3T 0.427083 0.821918
321 NIA 0.426966 0.8
322 649 0.426087 0.744444
323 GTP 0.425743 0.894737
324 SCO 0.425197 0.823529
325 CMX 0.425197 0.823529
326 G2R 0.424528 0.860759
327 GDP 0.424242 0.894737
328 7RA 0.423913 0.930556
329 OXK 0.423077 0.804598
330 0UM 0.423077 0.719512
331 8Q2 0.422414 0.772727
332 FCX 0.421875 0.795455
333 FAM 0.421875 0.784091
334 ACO 0.421875 0.775281
335 GCP 0.421569 0.871795
336 NAP 0.420635 0.918919
337 SXZ 0.420561 0.731707
338 GNH 0.42 0.883117
339 62X 0.419048 0.686047
340 A U 0.418803 0.87013
341 APU 0.418803 0.87013
342 HAX 0.418605 0.784091
343 NVA 2AD 0.418367 0.759494
344 GDC 0.418182 0.884615
345 GKE 0.418182 0.884615
346 GDD 0.418182 0.884615
347 101 0.417582 0.853333
348 GSP 0.417476 0.85
349 3AD 0.416667 0.805556
350 2MC 0.416667 0.75
351 HDV 0.415842 0.868421
352 FYN 0.415385 0.802326
353 3KK 0.415385 0.784091
354 G2Q 0.415094 0.860759
355 K15 0.415094 0.702381
356 NA0 0.414062 0.906667
357 7L1 0.414062 0.775281
358 IVC 0.413534 0.793103
359 S8M 0.413462 0.759494
360 NHD 0.413223 0.905405
361 7RP 0.413043 0.901408
362 MCD 0.412214 0.804598
363 SOP 0.412214 0.784091
364 CA6 0.412214 0.71134
365 COK 0.412214 0.784091
366 1VU 0.409091 0.775281
367 CO6 0.409091 0.784091
368 NMX 0.409091 0.741935
369 CMC 0.409091 0.804598
370 AS 0.408602 0.810127
371 QQY 0.406593 0.815789
372 ACK 0.406593 0.861111
373 6YU 0.40625 0.734043
374 CAJ 0.406015 0.804598
375 SCD 0.406015 0.823529
376 EO7 0.404255 0.788235
377 8BR 0.404255 0.881579
378 GNP 0.403846 0.871795
379 9GM 0.403846 0.871795
380 APX 0.40367 0.907895
381 KB1 0.40367 0.719512
382 TM1 0.40367 0.77381
383 SLU 0.403226 0.770115
384 BCO 0.402985 0.784091
385 MLC 0.402985 0.804598
386 3HC 0.402985 0.793103
387 1HE 0.402985 0.766667
388 A1S 0.402985 0.784091
389 1CZ 0.402878 0.795455
390 CC5 0.402439 0.816901
391 NMN AMP PO4 0.401639 0.87013
392 FAQ 0.40146 0.784091
393 COO 0.4 0.784091
394 YE1 0.4 0.793103
395 MCA 0.4 0.795455
396 CAA 0.4 0.793103
397 2BA 0.4 0.915493
398 CMP 0.4 0.901408
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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