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Receptor
PDB id Resolution Class Description Source Keywords
4UX9 2.34 Å EC: 2.7.11.24 CRYSTAL STRUCTURE OF JNK1 BOUND TO A MKK7 DOCKING MOTIF HOMO SAPIENS TRANSFERASE JNK1 INTRINSICALLY DISORDERED DOMAINS MKK7
Ref.: STRUCTURE AND DYNAMICS OF THE MKK7-JNK SIGNALING CO PROC.NATL.ACAD.SCI.USA V. 112 3409 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:1364;
A:1364;
D:1367;
A:1365;
C:1366;
A:1366;
C:1365;
A:1367;
H:1049;
B:1363;
C:1367;
C:1364;
B:1365;
B:1366;
D:1366;
D:1365;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ANP B:1000;
A:1000;
D:1000;
C:1000;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UX9 2.34 Å EC: 2.7.11.24 CRYSTAL STRUCTURE OF JNK1 BOUND TO A MKK7 DOCKING MOTIF HOMO SAPIENS TRANSFERASE JNK1 INTRINSICALLY DISORDERED DOMAINS MKK7
Ref.: STRUCTURE AND DYNAMICS OF THE MKK7-JNK SIGNALING CO PROC.NATL.ACAD.SCI.USA V. 112 3409 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4UX9 - ANP C10 H17 N6 O12 P3 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 10 families.
1 4UX9 - ANP C10 H17 N6 O12 P3 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 7 families.
1 4UX9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UX9; Ligand: ANP; Similar sites found with APoc: 446
This union binding pocket(no: 1) in the query (biounit: 4ux9.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2UYN 2KT None
2 5ZCT ANP 1.30719
3 2QS8 MET 1.37363
4 5OLK DTP 1.37363
5 5VLQ ANP 1.64835
6 5FYR INS 1.67785
7 2YKX AKG 1.72043
8 2VPQ ANP 1.92308
9 2HGS ADP 1.92308
10 5TDF ADP 2.16049
11 4DFU QUE 2.17391
12 3WVR AMP 2.1978
13 4U98 ACP 2.1978
14 2CFM AMP 2.1978
15 1EHI ADP 2.1978
16 1U6R IOM 2.1978
17 4UWH JXM 2.1978
18 3PN1 IVH 2.20126
19 5IGI ZIT 2.32558
20 5IGI GMP 2.32558
21 1S68 AMP 2.40964
22 3BP1 GUN 2.41379
23 5I35 ANP 2.47253
24 5EQY 5RA 2.47253
25 3WO0 ALA 2.47253
26 3WO0 ADP 2.47253
27 5DZT AMP 2.47253
28 6EOM ALA LYS 2.47253
29 1GPM AMP 2.47253
30 5C4L 4XR 2.49221
31 5C4L SIS 2.49221
32 2QK4 ATP 2.65487
33 4NZN ANP 2.72727
34 4NZN 2OU 2.72727
35 1CKN GTP 2.72727
36 4OCV ANP 2.74725
37 2YRX AMP 2.74725
38 4TVD BGC 2.74725
39 1GSA ADP 2.8481
40 5CGE 51F 2.88809
41 4RDL FUC GAL NDG FUC 2.92208
42 5C1P DAL DAL 2.94118
43 5C1P ADP 2.94118
44 4NFE BEN 2.95359
45 4B7X NAP 2.97619
46 3VOT ADP 3.02198
47 4PU5 ANP 3.02198
48 5AE9 OKO 3.02198
49 3V4S ATP 3.02198
50 6EZ6 C5Z 3.02198
51 1F9V ADP 3.17003
52 1I7L ATP 3.23625
53 2IO8 ADP 3.2967
54 6AM8 TRP 3.2967
55 5K8P 6R8 3.2967
56 3PAK MAN 3.37838
57 4R78 AMP 3.55987
58 2PUL ACP 3.57143
59 2VQD AP2 3.57143
60 1OX5 1PR 3.57143
61 5GZ9 ANP 3.60656
62 4MV1 ADP 3.63248
63 3ETH ATP 3.66197
64 2G50 PYR 3.84615
65 2QF7 AGS 3.84615
66 4C5N PXL 3.98551
67 4C5N ACP 3.98551
68 3X01 AMP 4.07125
69 5C03 AGS 4.09357
70 1M0W ANP 4.12088
71 4B16 NAG 4.13534
72 4MKF AP5 4.14747
73 3SJK LYS PRO VAL LEU ARG THR ALA 4.21053
74 2Q7D ANP 4.33526
75 5YK1 ANP 4.3956
76 5OES ADP 4.3956
77 3TII ANP 4.3956
78 4WOV 3SM 4.4164
79 4OIT MAN 4.42478
80 4ZGP ADP 4.43686
81 6G34 5ID 4.48179
82 4OUC 5ID 4.48179
83 4GLW 0XT 4.59016
84 2GQR ADP 4.64135
85 5DMZ ADP 4.67033
86 2PYW ADP 4.67033
87 5VZ0 ADP 4.67033
88 2IF8 ADP 4.6832
89 4LKK SIA GAL 4.7619
90 5T2U NAP 4.83871
91 5C8W PCG 4.8951
92 3KAL ADP 4.94506
93 1VRP IOM 4.94506
94 5WS9 OXL 4.94506
95 3VPC ADP 4.96454
96 1P6O HPY 4.96894
97 3VPD ANP 4.98221
98 1CBK ROI 5
99 3I0O ADP 5.01475
100 2QX0 PH2 5.03145
101 4CC6 L5Y 5.03145
102 3RE4 TO1 5.03876
103 1PK8 ATP 5.21978
104 4YZ5 SLT 5.21978
105 1FFU FAD 5.22648
106 4CS9 AMP 5.29101
107 6E8I PTR 5.32544
108 2Q8M AMP 5.42169
109 4XMF HSM 5.43478
110 2AQX ATP 5.53633
111 1E4E ADP 5.53936
112 1Z2P I3S 5.55556
113 1Z2P ACP 5.55556
114 3OCP CMP 5.7554
115 1ONI BEZ 5.7971
116 5IH1 GDP 5.96026
117 5IH1 6BQ 5.96026
118 1OS7 AKG 6.00707
119 3HAV ATP 6.02007
120 5MW8 ATP 6.04396
121 5IM3 DTP 6.04396
122 4IRX INS 6.08108
123 1AUX AGS 6.10932
124 3AKK ADP 6.15385
125 4LH7 1X8 6.19195
126 1IOW ADP 6.20915
127 1IOW PHY 6.20915
128 4FE2 ADP 6.27451
129 4O1P ANP 6.31868
130 4CYI ATP 6.31868
131 5CKW ANP 6.31868
132 6C1S EFV 6.31868
133 3B6R CRN 6.31868
134 3TY5 ADP 6.31868
135 6BFN DL1 6.43275
136 2BKK ADP 6.43939
137 5HP8 PYR 6.45161
138 3TM0 B31 6.46388
139 3TM0 ANP 6.46388
140 2VK2 GZL 6.53595
141 6G9I CXX 6.54762
142 6CGD AKN 6.55738
143 6CGD GNP 6.55738
144 5USZ SKE 6.57439
145 5TT6 ATP 6.59341
146 3I7V ATP 6.71642
147 3VSV XYS 6.86813
148 3HQP OXL 6.86813
149 1KJ8 GAR 6.86813
150 1KJ8 ATP 6.86813
151 3KA2 2NC 6.89655
152 2FXD DR7 7.07071
153 5A5W GUO 7.11462
154 6FL8 TIY 7.14286
155 6FL8 ADP 7.14286
156 3UDZ ADP 7.14286
157 1B09 PC 7.28155
158 4GYI ADP 7.41758
159 2GQS C2R 7.59494
160 2GQS ADP 7.59494
161 1T36 ADP 7.69231
162 1IA9 ANP 7.85714
163 3DNT ATP 7.96703
164 3ORQ ADP 7.96703
165 1N62 FAD 7.96703
166 4IX4 ADP 8
167 6DW2 HD4 8.01688
168 3TDV GDP 8.16993
169 4OCJ NDG 8.24176
170 4XYM A12 8.26087
171 4XZ3 ACP 8.26087
172 3W0O ADP 8.59599
173 3W0O HY0 8.59599
174 4OAV ACP 8.79121
175 2R7K ACP 8.86427
176 2R7K AMZ 8.86427
177 5M06 ADP 9.05797
178 4I94 ANP 9.33333
179 4G17 0VN 9.39394
180 2YW2 ATP 9.61539
181 4AZW ATP 10.1648
182 4WW7 AMP 10.6952
183 3VPB ADP 10.7143
184 2V58 LZJ 10.989
185 2P3C 3TL 11.1111
186 1ZP9 ATP 11.6279
187 1ZTH ADP 11.6279
188 1TZD ADP 12
189 4Q5H ANP 12.069
190 6AC9 ANP 12.0879
191 3VHE 42Q 12.2563
192 1TQP ATP 12.4113
193 1W2D 4IP 12.4528
194 1W2D ADP 12.4528
195 4O4F IHP 12.9032
196 4O4F ATP 12.9032
197 3UIM ANP 13.1902
198 3PP0 03Q 13.3136
199 4XH0 ADP 13.7363
200 3Q60 ATP 14.2857
201 2X2M X2M 14.3312
202 4Y85 499 14.759
203 5K2M ADP 15.0943
204 3KMW ATP 15.4982
205 3PVW QRX 15.6593
206 5WNL STU 16.0819
207 3BU1 HSM 16.2162
208 4YHQ G10 17.1717
209 5WL1 CUY 17.1717
210 5WL1 D3D 17.1717
211 2JDR L20 17.2515
212 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 17.2515
213 4ZS4 ATP 17.5896
214 4LRJ ANP 17.7515
215 1VJY 460 17.8218
216 3GNI ATP 18.6813
217 4FL3 ANP 19.2308
218 5UKL SIX 19.3548
219 2PZI AXX 19.5055
220 3PDT ADP 19.6364
221 4L9I 8PR 20.2381
222 6GZD LCI 20.6044
223 5T8O 76Z 20.6304
224 5VC5 96M 20.7612
225 4DC2 ADE 21.4286
226 4EUU BX7 22.2571
227 5QIN J2V 23.7342
228 4U44 3D9 23.7952
229 4OTH DRN 24.0469
230 3C1X CKK 24.1758
231 4BTK DTQ 24.6291
232 4P5Z Q7M 24.6537
233 2J7T 274 25.1656
234 6C0T EE4 25.3602
235 4ASE AV9 25.4958
236 6ES0 BW8 25.552
237 2CSN CKI 25.5892
238 2OO8 RAJ 25.8675
239 3VRY B43 26.0989
240 4OH4 ANP 26.1261
241 4NFN 2KC 26.2136
242 5LPZ ADP 26.506
243 3KRL KRL 26.5672
244 4Y0X ADP 26.6667
245 4F9C 0SX 26.8698
246 4E93 GUI 26.9231
247 3MVH WFE 27.193
248 3V8S 0HD 27.1978
249 4WNK 453 27.4725
250 4UAL 3FV 27.4725
251 5W4W 9WG 27.4924
252 4KBA 1QM 27.4924
253 4UXL 5P8 27.6398
254 5EOB 5QQ 27.8997
255 4K33 ACP 28
256 5LI9 ACP 28
257 2R5T ANP 28.022
258 5HCY 60D 28.0967
259 2PVF ACP 28.1437
260 3H9R TAK 28.1818
261 1U5R ATP 28.4483
262 4AG8 AXI 28.481
263 3GQI ACP 28.5276
264 4PZ6 GMP 28.5714
265 5OKT 9XK 28.6624
266 5LI1 ANP 28.8136
267 4WB7 ATP 28.8462
268 5TO8 7FM 29.078
269 5LPB ADP 29.3919
270 2H8H H8H 29.3956
271 1Y57 MPZ 29.3956
272 3TKI S25 29.4118
273 4X7Q 3YR 29.4872
274 2HY0 306 29.5031
275 5HVJ ANP 29.5238
276 5JFS 6K0 29.5455
277 2Y6O 1N1 29.5533
278 3RI1 3RH 29.7125
279 1RE8 BD2 29.7143
280 2QCS ANP 29.7143
281 3FHI ANP 29.7143
282 3IDB ANP 29.7143
283 5UR1 YY9 29.9035
284 4QMN DB8 30
285 3FHR P4O 30.0595
286 3HMO STU 30.117
287 6F3G CJN 30.1695
288 3PLS ANP 30.2013
289 4YMJ 4EJ 30.2632
290 4WB6 ATP 30.2857
291 6BXI ANP 30.3303
292 5AX9 4KT 30.5195
293 4BHN BH9 30.5389
294 3GGF GVD 30.5648
295 6GIN IR2 30.5648
296 5DRB 5FJ 30.5842
297 3TXO 07U 30.5949
298 5UIU 8CG 30.6502
299 5DH3 5BS 30.7937
300 2GU8 796 30.8605
301 5JKG 6LF 30.8682
302 4Y8D 49J 30.8824
303 1BYG STU 30.9353
304 4E1Z 0MX 31.2715
305 4YZN 4K5 31.3589
306 6GQM F8H 31.4024
307 6FYL 3NG 31.405
308 3NW7 LGV 31.5961
309 4AT3 LTI 31.7726
310 4M69 ANP 31.8021
311 3SLS ANP 31.9079
312 6CQF F97 31.9865
313 5NKB 8ZT 32.3529
314 1K3A ACP 32.4415
315 5N87 N66 32.5879
316 6GWR FEW 32.6984
317 3LXK MI1 32.7217
318 2XVD AS6 32.7815
319 5MJA 7O3 32.7869
320 5KO1 6UY 32.8622
321 4U0I 0LI 33.0159
322 5VCV 1N1 33.119
323 3ORK AGS 33.119
324 3SXS PP2 33.209
325 6CMJ F6J 33.3333
326 1U59 STU 33.4495
327 4USF 6UI 33.5526
328 3AQV TAK 33.6957
329 4JR7 GNP 33.7912
330 2OFV 242 34.296
331 1OPK P16 34.3407
332 5Y80 IRE 34.5048
333 6E2O S0L 34.5763
334 5JGA 6KC 34.6032
335 4WNP 3RJ 34.8432
336 1JPA ANP 34.9359
337 4NW6 2NS 34.9845
338 5FBN 5WF 35.0554
339 4A4X JUP 35.1254
340 2HK5 1BM 35.5556
341 2YAB AMP 35.7341
342 5WO4 B7V 35.7616
343 4G31 0WH 35.786
344 6CZ3 FLJ 35.9848
345 5CEO 50D 36
346 4YZC STU 36.2637
347 4N70 2HX 36.2805
348 2QLU ADE 36.3057
349 4CSV STI 36.3636
350 2ZV2 609 36.5772
351 5TA6 79D 36.8715
352 3DAK ANP 36.8966
353 3DLS ADP 37.0149
354 2F2U M77 37.0879
355 3C0G 3AM 37.0879
356 5EH0 5NW 37.2093
357 4EWH T77 37.4545
358 3G5D 1N1 37.7622
359 6C7Y ADP 37.7622
360 5DBX ANP 37.8049
361 3CY2 MB9 37.8981
362 2RIO ADP 37.9121
363 3ALN ANP 37.9205
364 2Z7R STU 38.0062
365 5HES 032 38.1107
366 4RFM 3P6 38.3459
367 3BZ3 YAM 38.4058
368 2WU6 DKI 39.011
369 2WQN ADP 39.3548
370 3FC2 IBI 39.403
371 2WEL K88 39.4495
372 3HZT J60 39.5604
373 2V7O DRN 39.5833
374 5H2U 1N1 39.7004
375 5UPK ANP 39.8844
376 3M2W L8I 40.1338
377 4CRL C1I 40.3846
378 3IGO ANP 40.6593
379 3E8N ATP 41.0557
380 3E8N VRA 41.0557
381 3SRV S19 41.1552
382 5A6N U7E 41.3428
383 4ONA UW1 41.4835
384 5IH9 6BF 41.4925
385 1PHK ATP 41.6107
386 4IDT T28 41.6667
387 4PNI KQQ 41.6667
388 4FF8 14S 41.6667
389 2XG5 EC5 41.6667
390 2XG5 EC2 41.6667
391 3NB0 G6P 41.6667
392 4F4P 0SB 41.7582
393 2PVN P63 41.7614
394 5Y86 HRM 42.033
395 5LVP ATP 42.1222
396 4BFM ANP 42.515
397 5ZTN CUR 42.5824
398 3RWP ABQ 43.0868
399 2VZ6 FEF 43.131
400 2A19 ANP 43.3099
401 6A1G 9OL 43.3333
402 5MY8 RXZ 43.4066
403 4FG8 ATP 43.4921
404 4C2V YJA 43.5088
405 2VN9 GVD 43.5216
406 2F57 23D 43.5331
407 1ZY5 ANP 43.5644
408 4I6H 1C8 43.8312
409 4XV1 904 43.8356
410 3PE2 E1B 43.9169
411 3ZRM ZRM 43.956
412 2YAK OSV 44.2105
413 2JLD AG1 44.2308
414 4NM5 ADP 44.2308
415 4NST AF3 44.4444
416 4NST ADP 44.4444
417 4C2W ANP 44.4444
418 3KN5 ANP 44.9231
419 4L3L 5FI 45.0658
420 5X8I SQZ 45.0867
421 4KS7 X4Z 45.2055
422 5EFQ ADP 45.245
423 3F7Z 34O 45.7143
424 1O9U ADZ 45.7143
425 6G33 5ID 46.0177
426 4CQE CQE 46.0432
427 4IJP 1EH 46.0894
428 2XK9 XK9 46.2733
429 5G1X ADP 46.3158
430 5L8L ADP 46.3158
431 5DEY 59T 46.4646
432 4TWP AXI 46.4945
433 6FYV 3NG 46.5875
434 5LXM ADP 46.6431
435 5ODT ADP 46.6431
436 5XVG 8FX 47.099
437 5JZJ AN2 47.138
438 5YF9 NIO 47.1976
439 1Q8Y ADP 47.2527
440 1Q8Y ADE 47.2527
441 5EYK 5U5 47.4638
442 3GC0 AMP 47.7204
443 5EW9 5VC 48.3395
444 2WEI VGG 48.4321
445 3E5A VX6 49.2537
446 4AUA 4AU 49.8371
447 3BU5 ATP 50
448 3LXN MI1 50
449 4GJ3 0XP 50
450 1IR3 ANP 50
451 3EKK GS2 50
452 4Y93 746 50
453 5OMY 9YE 50
454 5U6C 7YS 50
455 5LXT ACP 50
Pocket No.: 2; Query (leader) PDB : 4UX9; Ligand: ANP; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 4ux9.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 6BU0 IHP None
2 2UYP PPI None
3 2XOC ADP 1.53257
4 2A2C NG1 1.64835
5 2A2C ADP 1.64835
6 2GJ3 FAD 1.66667
7 3KIF GDL 1.88679
8 3PUR 2HG 1.92308
9 6BOX SAH 1.9802
10 4RF7 ARG 2.1978
11 3ZJX BOG 2.42215
12 3UG4 AHR 2.47253
13 4OYA 1VE 2.47253
14 4YNM SAM 2.65487
15 2IYF UDP 2.74725
16 3V4S ADP 3.02198
17 4X3R 686 3.02198
18 1M1B SPV 3.05085
19 5T96 79J 3.21637
20 2BMB PMM 3.2967
21 5MRH Q9Z 3.2967
22 1F0X FAD 3.2967
23 5FS0 5JC 3.31754
24 1SGJ OAA 3.52113
25 3ILR SGN 3.57143
26 3ILR SGN IXD 3.57143
27 3ILR IXD 3.57143
28 1OBD ATP 3.59477
29 3SHR CMP 3.67893
30 1OGX EQU 3.81679
31 4JB1 NAP 3.82353
32 4JB1 FAD 3.82353
33 1RZ1 NAD 4.34783
34 3K5I ADP 4.3956
35 3K5I AIR 4.3956
36 5KBE IPH 4.80349
37 1NX4 AKG 5.12821
38 2ET1 GLV 5.47264
39 3CF6 SP1 5.98802
40 5BWD FUM 6.04396
41 3TY5 ATP 6.31868
42 6A5K SAM 6.31868
43 5TQZ GLC 6.66667
44 3O5N BR0 7.14286
45 4JGP PYR 7.37327
46 4YEE 4CQ 7.77778
47 6D5V FVY 7.78443
48 6D5M FW4 7.78443
49 6DZN AE3 7.98122
50 2CBT TH2 8.03571
51 2F9W PAU 8.11808
52 2Z49 AMG 8.51648
53 1KR3 113 8.62069
54 2GOO NDG 8.77193
55 6E2B PT7 9.21053
56 1FAO 4IP 10.3175
57 1IDA 0PO 11.1111
58 5JLB SAH 13.2616
59 5G5G FAD 13.5371
60 6MJ7 ARG 14.5455
61 5C9J DAO 17.1717
62 2Z77 NCA 18.705
63 3OV6 MK0 20.9068
64 1GT4 UNA 25.7862
65 3LQV ADE 28.2051
66 4RJD TFP 28.7879
67 3BEO UDP 33.3333
68 5FJN FAD 41.6667
69 5FJN BE2 41.6667
70 4D4U FUC NDG GAL FUC 50
Pocket No.: 3; Query (leader) PDB : 4UX9; Ligand: ANP; Similar sites found with APoc: 46
This union binding pocket(no: 3) in the query (biounit: 4ux9.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5HWV MBN 1.53846
2 5L2R MLA 1.92308
3 3LJU IP9 1.92308
4 5Z21 OXM 1.95531
5 2FB3 MET 2.05882
6 2O0J ADP 2.07792
7 5T8U LPA 2.22222
8 5Z20 OXM 2.31884
9 3KB6 LAC 2.39521
10 5LY2 OGA 3.02198
11 5FWE OGA 3.02198
12 5JDA AMP 3.06407
13 3VV1 GAL FUC 3.125
14 4XFR CIT 3.2967
15 1XVB BHL 3.52941
16 1XVB BHL BHL 3.52941
17 1Y7P RIP 3.57143
18 3P9T TCL 3.65297
19 6HDT BTN 3.7594
20 5AEW BNL 4.3956
21 1T3D CYS 4.3956
22 3LOO B4P 4.3956
23 5G41 AP5 4.4843
24 4PVV HO4 4.62963
25 4RJK TDL 4.67033
26 5EJL C2E 4.83871
27 2R3A SAM 5
28 2CHT TSA 5.51181
29 3VY6 BGC BGC 6.31868
30 1ZIN AP5 7.37327
31 2HYQ MAN MAN 7.37705
32 2NUO BGC 7.37705
33 2GUD MAN 7.37705
34 2HYR BGC GLC 7.37705
35 2GUC MAN 7.37705
36 2NU5 NAG 7.37705
37 1T3Q FAD 7.41758
38 3NOJ PYR 7.56302
39 5YW5 ADE 8.37989
40 2Z48 A2G 8.51648
41 2P7Q GG6 9.02256
42 4CCK OGA 9.61539
43 4Y3O OGA 9.61539
44 5LX6 78P 12.5654
45 4CCN OGA 14.2857
46 4EWN 0VR 41.6667
47 4D52 GIV 50
Pocket No.: 4; Query (leader) PDB : 4UX9; Ligand: ANP; Similar sites found with APoc: 43
This union binding pocket(no: 4) in the query (biounit: 4ux9.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5O96 SAM 1.63265
2 4G8R 96P 1.64835
3 3ZS7 ATP 2
4 2ZWS PLM 2.47253
5 3IQE F42 2.4735
6 1CKM GTP 2.72727
7 2OBF SAH 2.76817
8 3VX3 ADP 2.82258
9 4WAS NAP 3.02198
10 4WAS COO 3.02198
11 4CNG SAH 3.13725
12 1G0N NDP 3.18021
13 1G0N PHH 3.18021
14 5TCI 79V 3.2967
15 2PNZ 5GP 3.61011
16 2YPI PGA 4.04858
17 5K13 6Q7 4.06504
18 5COU ATP 4.11765
19 3A7R LAQ 4.1543
20 4RVU NDP 4.21687
21 5TT5 NAD 4.3956
22 4RYV ZEA 4.51613
23 1JG3 ADN 4.68085
24 3MB5 SAM 4.70588
25 2X3J ATP 4.94506
26 2PHN GDP 5.11811
27 5N6C NAD 5.33333
28 4FC7 COA 6.13718
29 4FC7 NAP 6.13718
30 5JM8 ATP 6.59341
31 3FSM 2NC 6.89655
32 2BD0 NAP 7.37705
33 1V35 NAI 7.59878
34 5DXT 5H5 7.69231
35 5FI4 5XV 7.69231
36 5A89 ADP 7.69231
37 5A89 FMN 7.69231
38 3E85 BSU 8.86076
39 4WN5 MVC 9.56522
40 2EWM NAD 9.63855
41 3DCM SAM 10.4167
42 3KV8 FAH 11.5108
43 1RE0 AFB 16.4634
44 1JXZ BCA 50
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