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Receptor
PDB id Resolution Class Description Source Keywords
5N5U 1.6 Å EC: 6.1.1.1 STRUCTURE OF P-BORONOPHENYLALANYL TRNA SYNTHETASE IN COMPLEX BORONOPHENYLALANINE AND ADENOSINE MONOPHOSPHATE METHANOCALDOCOCCUS JANNASCHII (STRAIN 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) AMINOACYLATION LIGASE NON-NATURAL AMINO ACID SYNTHETIC BI
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC COTRANSLATIONAL INCORPORATION OF P-BORONOPHENYLALANINE INTO BIOSYNT PROTEINS. BIOCHEMISTRY V. 57 2597 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
A:404;
A:405;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
AMP A:401;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
7N8 A:402;
Valid;
none;
submit data
209.007 C9 H12 B N O4 B(c1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N5U 1.6 Å EC: 6.1.1.1 STRUCTURE OF P-BORONOPHENYLALANYL TRNA SYNTHETASE IN COMPLEX BORONOPHENYLALANINE AND ADENOSINE MONOPHOSPHATE METHANOCALDOCOCCUS JANNASCHII (STRAIN 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) AMINOACYLATION LIGASE NON-NATURAL AMINO ACID SYNTHETIC BI
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC COTRANSLATIONAL INCORPORATION OF P-BORONOPHENYLALANINE INTO BIOSYNT PROTEINS. BIOCHEMISTRY V. 57 2597 2018
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
2 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
3 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
4 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
5 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
6 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
7 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
8 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
10 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
11 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
12 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
13 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
14 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
15 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
16 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2CYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
3 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
4 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
5 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
6 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
7 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
8 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
9 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
11 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
12 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
13 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
14 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
15 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
16 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
17 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2CYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
3 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
4 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
5 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
6 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
7 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
8 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
9 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
11 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
12 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
13 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
14 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
15 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
16 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
17 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
18 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
19 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
20 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
21 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
22 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Ligand no: 2; Ligand: 7N8; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 7N8 1 1
2 PFF 0.609756 0.621622
3 TYR 0.585366 0.666667
4 DTY 0.585366 0.666667
5 4BF 0.571429 0.621622
6 PHI 0.571429 0.621622
7 0A1 0.545455 0.615385
8 4AF 0.545455 0.638889
9 4CF 0.533333 0.611111
10 DPN 0.52381 0.666667
11 PHE 0.52381 0.666667
12 PPN 0.521739 0.630435
13 TFQ 0.521739 0.605263
14 TYS 0.5 0.6
15 DAH 0.5 0.625
16 PTR 0.489796 0.738095
17 PBF 0.470588 0.621622
18 33S 0.42 0.621622
19 NAL 0.415094 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N5U; Ligand: AMP; Similar sites found with APoc: 145
This union binding pocket(no: 1) in the query (biounit: 5n5u.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5X3D 7XL None
2 4V2O CLQ None
3 5YIZ EF2 None
4 5YJ1 6EL None
5 5YJ0 EF2 None
6 2VOH CIT None
7 1GQ2 OXL 0.955414
8 5AZC PGT 1
9 5MUY MGT 1.59236
10 2GWH PCI 1.67785
11 1AUA BOG 1.68919
12 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
13 1KQN NAD 2.15054
14 3KFL ME8 2.2293
15 1ZED PNP 2.2293
16 6CB2 OLC 2.2293
17 4I90 CHT 2.31023
18 3COW 52H 2.32558
19 5LLT DND 2.34742
20 4DS0 A2G GAL NAG FUC 2.45399
21 2V0C LEU LMS 2.54777
22 1J78 OLA 2.54777
23 1NSA BEN 2.54777
24 3JU6 ARG 2.54777
25 1TV5 N8E 2.54777
26 3ZQE DXC 2.62295
27 5NM7 GLY 2.63158
28 3BP1 GUN 2.75862
29 2X3F APC 2.80702
30 1PFY MSP 2.86624
31 5EXK 5AD 2.86624
32 3X01 AMP 2.86624
33 6AR9 3L4 2.94118
34 1R1Q ACE ARG GLU PTR VAL ASN VAL 3
35 5O0B 9FE 3.08642
36 5KZV HCD 3.14961
37 5ZDK ATP 3.18471
38 5MRH Q9Z 3.18471
39 3B9Z CO2 3.18471
40 3O01 DXC 3.24675
41 2QTR NXX 3.7037
42 3UC5 ATP 3.82166
43 4PTN PYR 3.82166
44 4V3I ASP LEU THR ARG PRO 3.89105
45 4WGF HX2 3.90244
46 4A91 GLU 4.02685
47 1YUM NCN 4.13223
48 1T0S BML 4.14013
49 1OBD AMP 4.24837
50 1M2Z BOG 4.28016
51 1DTL BEP 4.34783
52 4MAF ADX 4.4586
53 2BCG GER 4.4586
54 2G50 PYR 4.4586
55 5W7B MYR 4.4586
56 4PQG NAG 4.4586
57 5IGL BMF 4.51613
58 4MGA 27L 4.70588
59 2YLD CMO 4.72441
60 4C2C ALA ALA ALA 4.77707
61 3UU7 2OH 4.78088
62 3K9W 4PS 4.81283
63 3K9W ADE 4.81283
64 1HFE CYS 4.87805
65 3SE5 ANP 4.87805
66 1J09 GLU 5.09554
67 1J09 ATP 5.09554
68 3SQP 3J8 5.09554
69 3CV2 COA 5.09554
70 5LX9 OLB 5.21173
71 3ND6 ATP 5.26316
72 1TO9 HMH 5.38462
73 4URX FK1 5.40541
74 2X1L ADN 5.41401
75 5XET ME8 5.41401
76 6E1Q CFA 5.41401
77 5FQK 6NT 5.41401
78 2X1L MET 5.41401
79 5XJ7 87O 5.47264
80 1LOB MMA 5.52486
81 3C8Z 5CA 5.73248
82 4AF5 CIT 5.78947
83 1O6B ADP 5.91716
84 3AXM 6PG 6.20155
85 1T3D CYS 6.22837
86 4LO6 SIA GAL 6.31579
87 4DOO DAO 6.34146
88 5Y0T TAT 6.36943
89 1IK4 PGH 6.57895
90 1R6N 434 6.63507
91 5Y0N ATP 6.6879
92 5IJJ I6P 6.77083
93 5FPN KYD 7.00637
94 5Y0Q APC 7.00637
95 2RIF AMP 7.0922
96 5WHT SIA GAL 7.24638
97 5WHT SIA GAL GLC 7.24638
98 5WHT SIA 7.24638
99 1PZM 5GP 7.32484
100 2BVE PH5 7.56302
101 3HL4 CDC 7.62712
102 2R4V GSH 7.69231
103 5V49 8WA 7.96178
104 5V49 MET 7.96178
105 4MRP GSH 7.96178
106 5OSW DIU 7.96178
107 2GTE VA 8.06452
108 3AFH GSU 8.9172
109 1F9A ATP 8.92857
110 1JZS MRC 9.23567
111 6CHP F0Y 9.31677
112 3QX9 ATP 9.42029
113 4O4Z N2O 9.74026
114 2WOR 2AN 10
115 1NU4 MLA 10.3093
116 1XPJ TLA 10.3175
117 1N1D C2G 10.8527
118 5ZCO PEK 11.0092
119 3ZIU LSS 11.1465
120 1V47 ADX 11.1465
121 1K4M NAD 11.2676
122 3E70 GDP 11.465
123 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 11.7155
124 2VWA PTY 11.8812
125 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 12.1739
126 3KP6 SAL 12.5828
127 1LOX RS7 13.3758
128 2HW1 FRU 13.4228
129 2H29 DND 13.7566
130 3KO0 TFP 13.8614
131 4URN NOV 14.2222
132 5UN9 NHT 15.9236
133 5V4R MGT 16.0494
134 5U75 SIA GAL NDG FUC 16.0714
135 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 16.3934
136 1XVB 3BR 17.0588
137 3VPB GLU 17.8571
138 2GNK ATP 18.75
139 2G36 TRP 31.8471
140 4J75 TYM 35.3503
141 1R6U TYM 35.9873
142 1R6T TYM 36.6242
143 5DK4 ATP 38.535
144 5DK4 5BX 38.535
145 1YID ATP 40.4459
Pocket No.: 2; Query (leader) PDB : 5N5U; Ligand: AMP; 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: 5n5u.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5N5U; Ligand: 7N8; Similar sites found with APoc: 314
This union binding pocket(no: 3) in the query (biounit: 5n5u.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2ALG HP6 None
3 2ALG DAO None
4 5Y02 HBX None
5 6CS9 PIO None
6 3G5K BB2 None
7 1XXA ARG None
8 3UW5 MAA CHG PRO 0DQ None
9 5AZC PGT 1
10 5D63 FUC GLA GLA 1.36519
11 3SJK LYS PRO VAL LEU ARG THR ALA 1.57895
12 1I0B PEL 1.59236
13 3WWX DIA 1.59236
14 4UBS DIF 1.59236
15 5M8T 0TR 1.59236
16 3F5A SIA GAL NAG 1.62602
17 3CEV ARG 1.67224
18 2GWH PCI 1.67785
19 1AUA BOG 1.68919
20 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
21 1VAY AZA 1.74216
22 2VL1 GLY GLY 1.91083
23 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 1.91083
24 4KBA 1QM 1.91083
25 3E7S AT2 1.91083
26 2PYW ADP 1.91083
27 1ZED PNP 2.2293
28 5YJS SAL 2.2293
29 6CB2 OLC 2.2293
30 3HP9 CF1 2.2293
31 2Y65 ADP 2.2293
32 5LY1 PPI 2.2293
33 2HJR CIT 2.2293
34 1Y7P RIP 2.24215
35 4I90 CHT 2.31023
36 3COW 52H 2.32558
37 3SBZ MLI 2.38095
38 2RDE C2E 2.39044
39 3AQT RCO 2.44898
40 4DS0 A2G GAL NAG FUC 2.45399
41 1JXN MFU 2.47934
42 1J78 OLA 2.54777
43 5KJW 53C 2.54777
44 3G58 988 2.54777
45 1XMY ROL 2.54777
46 1TV5 N8E 2.54777
47 4ORM 2V6 2.54777
48 4ORM FMN 2.54777
49 4ORM ORO 2.54777
50 6FFI D8B 2.54777
51 1T5C ADP 2.54777
52 1XM4 PIL 2.54777
53 4ARE FLC 2.54777
54 4IGH 1EA 2.54777
55 4IGH FMN 2.54777
56 4IGH ORO 2.54777
57 2IU8 PLM 2.54777
58 1XMU ROF 2.54777
59 5EY0 GTP 2.55474
60 4QBK 3NZ 2.57732
61 4DR9 BB2 2.60417
62 3ZQE DXC 2.62295
63 5NM7 GLY 2.63158
64 3KYG 5GP 5GP 2.64317
65 1KNY KAN 2.7668
66 5FUS DAO 2.78746
67 1FX8 BOG 2.84698
68 1SJD NPG 2.86624
69 5EXK 5AD 2.86624
70 3X01 AMP 2.86624
71 2JC9 ADN 2.86624
72 5Y79 3PG 2.86624
73 1HXD BTN 2.86624
74 5OCG 9R5 2.86624
75 1NF8 BOG 2.89855
76 4XDA ADP 2.91262
77 5X3R 7Y3 2.92683
78 1ZPD CIT 2.99296
79 1R1Q ACE ARG GLU PTR VAL ASN VAL 3
80 5KZV HCD 3.14961
81 3G5N PB2 3.15126
82 4ISS TAR 3.18471
83 3QSB 743 3.18471
84 3B9Z CO2 3.18471
85 1CZA ADP 3.18471
86 4FAJ LEU VAL THR LEU VAL PHE VAL 3.18471
87 4Z87 GDP 3.18471
88 1V1A ADP 3.23625
89 3O01 DXC 3.24675
90 2QJY UQ2 3.34572
91 3WG3 A2G GAL NAG FUC 3.37079
92 4UCC ZKW 3.43348
93 5M37 9SZ 3.47826
94 5M36 9SZ 3.49345
95 1SZO CAX 3.50195
96 2GU8 796 3.50318
97 1GOJ ADP 3.50318
98 2HHP FLC 3.50318
99 5KD8 TNR 3.50318
100 2YIV YIV 3.50318
101 4LRJ ANP 3.5503
102 6BR8 6OU 3.57143
103 6BR8 PGV 3.57143
104 5EYW PGA 3.61446
105 5KAU RHQ 3.63636
106 4RW3 TDA 3.64238
107 3THR C2F 3.75427
108 3ET1 ET1 3.78007
109 5FUI APY 3.78788
110 1ELR ACE MET GLU GLU VAL ASP 3.81679
111 5CX6 CDP 3.82166
112 3COB ADP 3.82166
113 4YSX E23 3.82166
114 5XIO HFG 3.82166
115 3LRE ADP 3.82166
116 4PO2 ASN ARG LEU LEU LEU THR GLY 3.82979
117 6MPT C30 3.84615
118 4NKW PLO 3.84615
119 4V3I ASP LEU THR ARG PRO 3.89105
120 4WGF HX2 3.90244
121 3KDU NKS 3.97112
122 4A91 GLU 4.02685
123 1VBO MAN MAN MAN 4.02685
124 1VBO MAN 4.02685
125 1P9B HDA 4.0724
126 2VL8 CTS 4.14013
127 2VVG ADP 4.14013
128 2VL8 UDP 4.14013
129 2J3M PRI 4.14013
130 1HSR BHO 4.14013
131 5HCN DAO 4.21456
132 3TW1 AHN 4.21941
133 5E6O TRP GLU GLU LEU 4.23729
134 1M2Z BOG 4.28016
135 1DTL BEP 4.34783
136 2BCG GER 4.4586
137 5W7B MYR 4.4586
138 5VAD PRO 4.4586
139 5L83 ASP TRP GLU ILE VAL 4.46429
140 4RYV ZEA 4.51613
141 5UGW GSH 4.57143
142 4MG9 27K 4.70588
143 4MGA 27L 4.70588
144 4MG8 27J 4.70588
145 2YLD CMO 4.72441
146 5OQW A4E 4.72441
147 5AAV GW5 4.7619
148 4C2C ALA ALA ALA 4.77707
149 5H9Y BGC BGC BGC BGC BGC 4.77707
150 1RYD GLC 4.77707
151 4YVN EBS 4.77707
152 5WXU FLC 4.77707
153 4TV1 36M 4.78088
154 5I8F ML1 4.84848
155 3SE5 ANP 4.87805
156 4GLW NMN 4.91803
157 1M5B BN1 4.94297
158 3NZ1 3NY 4.98084
159 3TL1 JRO 5.03145
160 4JGP PYR 5.06912
161 3SQP 3J8 5.09554
162 3CV2 COA 5.09554
163 5CX8 RP3 5.09554
164 4C2G ALA ALA ALA ALA 5.09554
165 1A05 IPM 5.09554
166 6FA4 D1W 5.20231
167 5LX9 OLB 5.21173
168 3I7V B4P 5.22388
169 3WUR O4B 5.26316
170 4JMU 1ML 5.35714
171 4URX FK1 5.40541
172 5C1M CLR 5.40541
173 6E1Q CFA 5.41401
174 2X1L MET 5.41401
175 5FQK 6NT 5.41401
176 3DRW AMP 5.41401
177 1LSH PLD 5.41401
178 1OFL NGK GCD 5.41401
179 6I6X H6B 5.41401
180 5TVI O8N 5.43478
181 1LOB MMA 5.52486
182 5LXT GTP 5.59441
183 1L7N ALF 5.6872
184 2HZL PYR 5.73248
185 1GJW GLC 5.73248
186 3UWV 2PG 5.74713
187 4AF5 CIT 5.78947
188 5N17 8FK 5.7971
189 3R6K FUC GAL GLA 5.90164
190 1O6B ADP 5.91716
191 5V3Y 5V8 5.94406
192 3ROE THM 6.03774
193 4K10 NI9 6.05096
194 3CHT 4NB 6.05096
195 3N7S 3N7 6.08696
196 6GW4 CHO 6.18893
197 1T3D CYS 6.22837
198 3SDV 911 6.36943
199 4DXJ 0M9 6.36943
200 5TZO 7V7 6.38298
201 1R6N 434 6.63507
202 6GNO XDI 6.66667
203 4WCX MET 6.6879
204 2WR1 NAG 6.6879
205 5IJJ I6P 6.77083
206 5F6U 5VK 7.00637
207 5FPE 3TR 7.00637
208 4LHM AZZ 7.00637
209 5FPN KYD 7.00637
210 4FHT DHB 7.00637
211 2O1V ADP 7.00637
212 2XT3 ADP 7.00637
213 4B1X LAB 7.00637
214 5YEE LAB 7.00637
215 5WHT SIA 7.24638
216 5JOG 6LT 7.393
217 4G86 BNT 7.39437
218 1POC GEL 7.46269
219 2BVE PH5 7.56302
220 4B9E FAH 7.6412
221 3WCS MAN NAG 7.87402
222 3WCS MAN NAG GAL 7.87402
223 5OSW DIU 7.96178
224 4MRP GSH 7.96178
225 6C1R EFD 8.05687
226 1WPY BTN 8.08511
227 4RHS SIA SIA GAL 8.19672
228 3G4Q MCH 8.21918
229 2JG1 ANP 8.28025
230 3EZ2 ADP 8.59873
231 5L2R MLA 8.59873
232 2D5X L35 8.90411
233 2CBZ ATP 9.2827
234 4BI7 PGA 9.33852
235 2W5P CL8 9.39597
236 4FE2 AIR 9.41177
237 1RV1 IMZ 9.41177
238 3QX9 ATP 9.42029
239 2Y69 CHD 9.46746
240 5OCA 9QZ 9.67742
241 4O4Z N2O 9.74026
242 3NFD COA 9.80392
243 3NB0 G6P 9.87261
244 2WOR 2AN 10
245 4XTX 590 10
246 1NU4 MLA 10.3093
247 1XPJ TLA 10.3175
248 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 10.3448
249 3QDY CBS 10.4895
250 3QDX CBS 10.4895
251 3QDV NDG 10.4895
252 1SBR VIB 10.5
253 4RJD TFP 10.6061
254 4ZGM 32M 10.6557
255 5Z84 CHD 11.0092
256 5ZCO CHD 11.0092
257 5W97 CHD 11.0092
258 5ZCO PEK 11.0092
259 1HBK MYR 11.236
260 1HBK COA 11.236
261 1EWK GLU 11.465
262 3E70 GDP 11.465
263 5DYO FLU 11.465
264 4M8E 29V 11.6883
265 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 11.7155
266 5TVF CGQ 11.7647
267 5LNW HG3 11.7834
268 5DEQ ARA 11.8421
269 2VWA PTY 11.8812
270 4XFR CIT 12.1019
271 4XG0 CIT 12.1019
272 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 12.1739
273 3FS1 MYR 12.1739
274 1BWO LPC 12.2222
275 3KP6 SAL 12.5828
276 5X13 HC4 12.766
277 3H0L ADP 12.766
278 4F4S EFO 13.1579
279 1LOX RS7 13.3758
280 2YPI PGA 13.7652
281 3KO0 TFP 13.8614
282 5DCH 1YO 14.0625
283 3WSG CIT 14.6825
284 2GQS C2R 14.7679
285 3KPE TM3 15.3846
286 5V4R MGT 16.0494
287 2W9S TOP 16.1491
288 1YYE 196 16.4179
289 1XVB 3BR 17.0588
290 2POC UD1 17.5159
291 5ZZB LAB 17.6471
292 1SW0 PGA 17.7419
293 5F5R ANP 18.4874
294 3IWD M2T 19.1176
295 3E3U NVC 19.2893
296 1I7M CG 19.403
297 4NS0 PIO 19.5489
298 5X4Q 7Z6 19.8582
299 3D04 SAK 20.1258
300 5C9J DAO 20.202
301 5WL1 D3D 20.202
302 5WL1 CUY 20.202
303 3LQV ADE 21.7391
304 6GMN F4E 26.8041
305 3ZCB ATP 30.6452
306 2G36 TRP 31.8471
307 5NNT DPV 32.4324
308 5MWE TCE 35.7143
309 1R6T TYM 36.6242
310 5DK4 5BX 38.535
311 5DK4 ATP 38.535
312 4OGQ UMQ 43.2432
313 4OGQ 1O2 43.2432
314 4OGQ 7PH 43.2432
Pocket No.: 4; Query (leader) PDB : 5N5U; Ligand: 7N8; 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: 5n5u.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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