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Receptor
PDB id Resolution Class Description Source Keywords
5JJU 2.31 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2837C COMPLEXED WITH 5'-PAPA AND 5'-A MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RA) EXONUCLEASE DHH-DHHA1 C-DI-AMP HYDROLASE HYDROLASE-RNA CO
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHT INTO THE MECHANI RV2837C FROM MYCOBACTERIUM TUBERCULOSIS AS A C-DI-N PHOSPHODIESTERASE J.BIOL.CHEM. V. 291 14386 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:1002;
A:1002;
A:1001;
B:1001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
AMP B:1004;
B:1003;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
A A C:1003;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
659.426 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JJU 2.31 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2837C COMPLEXED WITH 5'-PAPA AND 5'-A MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RA) EXONUCLEASE DHH-DHHA1 C-DI-AMP HYDROLASE HYDROLASE-RNA CO
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHT INTO THE MECHANI RV2837C FROM MYCOBACTERIUM TUBERCULOSIS AS A C-DI-N PHOSPHODIESTERASE J.BIOL.CHEM. V. 291 14386 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5JJU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5JJU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5JJU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
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: A A ; Similar ligands found: 277
No: Ligand ECFP6 Tc MDL keys Tc
1 A A 1 1
2 ATP A A A 0.768421 0.957747
3 U A 0.684685 0.933333
4 G A A A 0.672727 0.896104
5 A G 0.657658 0.907895
6 U A G G 0.651786 0.907895
7 A A A 0.646465 0.905405
8 U A A U 0.644068 0.933333
9 ADP PO3 0.634409 0.943662
10 GAP 0.621053 0.893333
11 A 0.62069 0.971429
12 AMP 0.62069 0.971429
13 ADP VO4 0.618557 0.931507
14 VO4 ADP 0.618557 0.931507
15 ADP ALF 0.608247 0.87013
16 ALF ADP 0.608247 0.87013
17 G G 0.603774 0.921053
18 A2D 0.6 0.944444
19 ABM 0.6 0.917808
20 ADP BMA 0.598039 0.918919
21 ADP 0.597826 0.944444
22 SRA 0.595506 0.918919
23 AN2 0.591398 0.931507
24 DAL AMP 0.59 0.905405
25 BA3 0.586957 0.944444
26 A3P 0.586957 0.943662
27 AP2 0.586957 0.906667
28 A12 0.586957 0.906667
29 A C A C 0.584746 0.871795
30 A U 0.584071 0.894737
31 AGS 0.583333 0.894737
32 SAP 0.583333 0.894737
33 B4P 0.580645 0.944444
34 AP5 0.580645 0.944444
35 ACP 0.578947 0.918919
36 AT4 0.574468 0.906667
37 U A C C 0.571429 0.883117
38 CA0 0.568421 0.893333
39 ADX 0.568421 0.82716
40 AU1 0.568421 0.918919
41 M33 0.568421 0.905405
42 PAP 0.56701 0.930556
43 50T 0.5625 0.931507
44 HEJ 0.5625 0.944444
45 ATP 0.5625 0.944444
46 AR6 0.556701 0.917808
47 APC 0.556701 0.906667
48 AQP 0.556701 0.944444
49 PRX 0.556701 0.893333
50 APR 0.556701 0.917808
51 5FA 0.556701 0.944444
52 MYR AMP 0.551402 0.817073
53 RBY 0.55102 0.881579
54 ADV 0.55102 0.881579
55 AD9 0.55102 0.918919
56 TYR AMP 0.545455 0.894737
57 AMP DBH 0.545455 0.918919
58 APC G U 0.545455 0.858974
59 A22 0.543689 0.958333
60 ACQ 0.54 0.918919
61 T99 0.54 0.906667
62 ANP 0.54 0.918919
63 TAT 0.54 0.906667
64 3AM 0.538462 0.929577
65 25A 0.538462 0.971831
66 PO4 PO4 A A A A PO4 0.537736 0.929577
67 AR6 AR6 0.535714 0.944444
68 PPS 0.534653 0.82716
69 5AL 0.534653 0.905405
70 ADQ 0.533333 0.918919
71 LMS 0.532609 0.804878
72 ATF 0.529412 0.906667
73 3OD 0.527778 0.893333
74 A G U 0.526316 0.8625
75 SON 0.525773 0.906667
76 6YZ 0.524272 0.918919
77 SRP 0.524272 0.881579
78 OOB 0.52381 0.931507
79 9X8 0.523364 0.87013
80 ARG AMP 0.522124 0.829268
81 LPA AMP 0.521739 0.817073
82 AOC 0.521277 0.821918
83 PAJ 0.518868 0.8375
84 4AD 0.518868 0.894737
85 AMO 0.518868 0.881579
86 ADN 0.517647 0.819444
87 XYA 0.517647 0.819444
88 RAB 0.517647 0.819444
89 5AS 0.515464 0.758621
90 MAP 0.514286 0.894737
91 DLL 0.514019 0.931507
92 00A 0.514019 0.883117
93 FYA 0.513761 0.931507
94 B5Y 0.513514 0.894737
95 AHZ 0.513043 0.817073
96 9ZA 0.509434 0.883117
97 5SV 0.509434 0.848101
98 9ZD 0.509434 0.883117
99 8QN 0.509434 0.905405
100 OAD 0.509259 0.893333
101 3UK 0.509259 0.918919
102 25L 0.509091 0.958333
103 A U C C 0.507576 0.871795
104 A G U U 0.507246 0.8625
105 A1R 0.504673 0.858974
106 A3R 0.504673 0.858974
107 B5V 0.504587 0.906667
108 WAQ 0.504587 0.858974
109 PR8 0.504587 0.82716
110 9SN 0.504505 0.871795
111 JB6 0.5 0.883117
112 TXA 0.5 0.881579
113 AF3 ADP 3PG 0.5 0.8375
114 NB8 0.5 0.848101
115 1ZZ 0.5 0.817073
116 AHX 0.5 0.848101
117 4TA 0.495935 0.829268
118 LAD 0.490909 0.8375
119 5N5 0.488636 0.794521
120 YAP 0.486726 0.894737
121 B5M 0.486726 0.894737
122 FA5 0.486726 0.906667
123 ME8 0.486486 0.817073
124 PTJ 0.486486 0.871795
125 BIS 0.486486 0.883117
126 AMP NAD 0.483871 0.931507
127 NAD 0.483871 0.958333
128 5CD 0.483146 0.805556
129 A4D 0.483146 0.794521
130 DQV 0.478632 0.931507
131 4UV 0.478261 0.894737
132 A3D 0.47619 0.945205
133 A2P 0.474747 0.929577
134 LAQ 0.474576 0.817073
135 G3A 0.474138 0.896104
136 Z5A 0.473282 0.8
137 NAE 0.472868 0.92
138 NAJ PZO 0.472441 0.871795
139 G5A 0.471154 0.758621
140 G5P 0.470085 0.896104
141 7MD 0.470085 0.817073
142 AFH 0.470085 0.860759
143 4UU 0.470085 0.894737
144 XAH 0.469565 0.817073
145 7D5 0.468085 0.878378
146 EP4 0.467391 0.753247
147 NAX 0.466667 0.85
148 4UW 0.466667 0.860759
149 DND 0.466667 0.932432
150 NAI 0.466667 0.883117
151 NXX 0.466667 0.932432
152 GTA 0.466102 0.886076
153 2A5 0.466019 0.868421
154 3DH 0.463158 0.773333
155 TYM 0.46281 0.906667
156 TXE 0.46281 0.883117
157 DTA 0.462366 0.810811
158 M2T 0.462366 0.75641
159 ATR 0.461538 0.916667
160 9K8 0.460177 0.714286
161 UPA 0.459016 0.883117
162 AP0 0.459016 0.871795
163 7MC 0.459016 0.797619
164 TSB 0.458716 0.776471
165 YLP 0.458333 0.797619
166 NAQ 0.458015 0.896104
167 NAJ PYZ 0.458015 0.829268
168 A5A 0.457944 0.785714
169 GA7 0.457627 0.906667
170 MTA 0.457447 0.773333
171 TXD 0.454545 0.883117
172 A3N 0.454545 0.763158
173 UP5 0.454545 0.894737
174 6V0 0.454545 0.871795
175 ZID 0.454545 0.945205
176 G G G C 0.453846 0.886076
177 TAD 0.453782 0.8375
178 SSA 0.453704 0.758621
179 IOT 0.451613 0.809524
180 PAX 0.451128 0.851852
181 OMR 0.45082 0.807229
182 NSS 0.45045 0.77907
183 DSZ 0.45045 0.758621
184 7D3 0.45 0.855263
185 52H 0.449541 0.758621
186 VMS 0.449541 0.767442
187 54H 0.449541 0.767442
188 6RE 0.44898 0.782051
189 0WD 0.448819 0.896104
190 8PZ 0.448276 0.77907
191 T5A 0.448 0.819277
192 139 0.448 0.85
193 2AM 0.447917 0.916667
194 YLC 0.447154 0.817073
195 4TC 0.447154 0.871795
196 48N 0.446281 0.848101
197 53H 0.445455 0.758621
198 5CA 0.445455 0.758621
199 8X1 0.445455 0.733333
200 NDE 0.445255 0.958904
201 A4P 0.443548 0.821429
202 5X8 0.442308 0.763158
203 J7C 0.44 0.769231
204 V3L 0.439252 0.944444
205 ZAS 0.438776 0.789474
206 P5A 0.438596 0.725275
207 NMN AMP PO4 0.4375 0.894737
208 LSS 0.4375 0.741573
209 G C C C 0.437037 0.873418
210 ADJ 0.436508 0.829268
211 A2R 0.436364 0.931507
212 S4M 0.435644 0.686047
213 YLB 0.435484 0.797619
214 OVE 0.434343 0.88
215 DZD 0.434109 0.860759
216 NVA LMS 0.433628 0.752809
217 CNA 0.433071 0.932432
218 7D4 0.432692 0.855263
219 YSA 0.432203 0.77907
220 M24 0.431818 0.85
221 MAO 0.431373 0.759036
222 DSH 0.43 0.725
223 LEU LMS 0.429825 0.752809
224 F2R 0.429688 0.819277
225 NDC 0.428571 0.896104
226 N01 0.427481 0.931507
227 COD 0.426357 0.770115
228 KAA 0.426087 0.733333
229 GSU 0.426087 0.758621
230 SAM 0.425926 0.710843
231 IMO 0.425743 0.902778
232 YLA 0.425197 0.797619
233 BT5 0.423077 0.809524
234 AYB 0.421875 0.788235
235 GJV 0.421569 0.772152
236 PUA 0.421053 0.860759
237 APU 0.420635 0.894737
238 80F 0.419847 0.819277
239 ITT 0.419048 0.890411
240 NA7 0.417391 0.906667
241 FAD NBT 0.417219 0.75
242 EAD 0.416058 0.85
243 WSA 0.416 0.788235
244 BTX 0.415385 0.819277
245 SFG 0.415094 0.75
246 SMM 0.414414 0.705882
247 P1H 0.414286 0.829268
248 DCA 0.413534 0.781609
249 ETB 0.413534 0.790698
250 8Q2 0.412698 0.752809
251 5AD 0.411111 0.746479
252 CNV FAD 0.410596 0.8
253 A7D 0.409524 0.776316
254 SA8 0.407407 0.707317
255 A5D 0.407407 0.810811
256 COA 0.407407 0.781609
257 0T1 0.407407 0.781609
258 7D7 0.406593 0.743243
259 4YB 0.406504 0.761364
260 MHZ 0.40566 0.697674
261 AV2 0.405405 0.866667
262 A6D 0.405172 0.765432
263 FAD 0.40411 0.829268
264 FAS 0.40411 0.829268
265 P6G FDA 0.403846 0.772727
266 6C6 0.40367 0.881579
267 SAH 0.40367 0.74359
268 SAI 0.40367 0.734177
269 GEK 0.403509 0.7375
270 FAM 0.402878 0.764045
271 A3G 0.401961 0.776316
272 S7M 0.401786 0.710843
273 7C5 0.401639 0.818182
274 NAP 0.40146 0.972222
275 6IA 0.4 0.8375
276 6FA 0.4 0.819277
277 YLY 0.4 0.788235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JJU; Ligand: AMP; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 5jju.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3KRL KRL 2.08955
2 6AM8 PLT 2.35294
3 1JBW ACQ 2.94118
4 3LN0 52B 4.11765
5 1G51 AMO 4.11765
6 2I3G NAP 9.41177
7 2HAW 2PN 26.2136
Pocket No.: 2; Query (leader) PDB : 5JJU; Ligand: AMP; Similar sites found with APoc: 139
This union binding pocket(no: 2) in the query (biounit: 5jju.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5NCF 8T5 None
3 4YDQ HFG 1.17647
4 4YDQ ANP 1.17647
5 4CS4 ANP 1.45985
6 4CS4 AXZ 1.45985
7 6GAS FAD 1.51057
8 3MVH WFE 1.76471
9 4L3L 5FI 1.97368
10 1YXM ADE 1.9802
11 5LHT TIH 2.04082
12 3OV6 MK0 2.05882
13 1B8O IMH 2.11268
14 5IFK HPA 2.24359
15 2YMZ LAT 2.30769
16 5XIJ 873 2.35294
17 5XIJ ANP 2.35294
18 3AYI FAD 2.35294
19 3AYI HCI 2.35294
20 3CBC DBS 2.52525
21 2Y91 98J 2.64151
22 5G48 1FL 2.64706
23 2RCU BUJ 2.64706
24 4HWS 1B3 2.64706
25 4C2G ALA ALA ALA ALA 2.64706
26 5L13 6ZE 2.64706
27 3A7R LAQ 2.67062
28 3DJF BC3 2.78746
29 3IAL PR8 2.94118
30 4HWT 1B2 2.94118
31 5LRT ADP 2.94118
32 2ZTG A5A 2.94118
33 2P4S DIH 2.94118
34 2FN1 PYR 2.94118
35 3A16 PXO 2.94118
36 2JLD AG1 2.94118
37 5WL1 D3D 3.0303
38 5WL1 CUY 3.0303
39 1QG6 NAD 3.06513
40 1QG6 TCL 3.06513
41 1L3I SAH 3.125
42 3IU9 T07 3.125
43 3E9I XAH 3.23529
44 2XGT NSS 3.23529
45 4B0T ADP 3.23529
46 5BVE 4VG 3.23529
47 1ELI PYC 3.23529
48 1FEC FAD 3.23529
49 5UAO FAD 3.23529
50 1RYI GOA 3.23529
51 1RYI FAD 3.23529
52 1VMK GUN 3.2491
53 5Y72 DST 3.28358
54 2J3M ATP 3.52941
55 2J3M PRI 3.52941
56 3AB1 FAD 3.52941
57 4D06 NAR 3.53357
58 3RWP ABQ 3.53698
59 4QAC KK3 3.68664
60 5XDT MB3 3.82353
61 2DXU BT5 3.82979
62 1WPY BTN 3.82979
63 6MPT C30 3.84615
64 3EFS BTN 3.86266
65 4MOB ADP 3.91566
66 4XTX 590 4.07407
67 5FPE 3TR 4.11765
68 4MSG 2C6 4.14747
69 4DQ2 BTX 4.26829
70 1B7Y FYA 4.41176
71 2Z3U CRR 4.41176
72 4K91 SIN 4.41176
73 3G2Y GF4 4.56274
74 4BUY F37 4.58333
75 2OQ2 A3P 4.5977
76 2W5P CL8 4.69799
77 2ART LPA AMP 4.70588
78 5X8G S0N 4.70588
79 2GNB MAN 4.7619
80 1UNB AKG 4.82315
81 1UNB PN1 4.82315
82 2AG4 LP3 4.87805
83 2AG4 OLA 4.87805
84 3A5Z KAA 5
85 3A5Y KAA 5
86 4OYA 1VE 5
87 6C8X BVR 5.05051
88 5OCG 9R5 5.29101
89 1E1O LYS 5.29412
90 3DLG GWE 5.29412
91 3CM2 X23 5.38462
92 5KJW 53C 5.58824
93 2O07 MTA 5.59211
94 2O07 SPD 5.59211
95 1PZO CBT 5.70342
96 5NWD 9C8 5.75916
97 6FA4 D1W 5.78035
98 5M6N 7H9 5.9322
99 3UW5 MAA CHG PRO 0DQ 6.03448
100 4MTI 2DX 6.08696
101 3LZW FAD 6.17647
102 2GJN NIS 6.40244
103 2GJN FMN 6.40244
104 2GU8 796 6.52819
105 2J5B TYE 6.76471
106 1LSH PLD 6.76471
107 3PE2 E1B 7.05882
108 1F9V ADP 7.05882
109 2ZL4 ALA ALA ALA ALA 7.14286
110 3TW1 AHN 7.173
111 4PFC 2QX 7.35294
112 1V3S ATP 7.75862
113 1KGI T4A 7.87402
114 3LVW GSH 7.94118
115 1T7Q 152 7.94118
116 1T7Q COA 7.94118
117 3IES M24 8.23529
118 5VAD 91Y 8.52941
119 3UW4 MAA CHG PRO 0DQ 8.69565
120 6D6L FY4 8.82353
121 4O9S 2RY 8.83721
122 1A78 TDG 8.95522
123 1HXD BTN 9.03427
124 4I8P NAD 10
125 3VZS NAP 10.1167
126 5OQW A4E 10.2362
127 2RHQ GAX 10.2941
128 1G2O IMH 10.4478
129 2VL1 GLY GLY 10.5882
130 4NG2 OHN 10.6195
131 5DG2 GAL GLC 11.1111
132 3KIF GDL 11.3208
133 2C78 PUL 12.0588
134 6GNO XDI 12.5926
135 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
136 3IWD M2T 13.2353
137 3DZ6 M8E 16.4179
138 3EM0 CHD 22.4638
139 3TCT 3MI 24.4094
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