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Receptor
PDB id Resolution Class Description Source Keywords
1QZR 1.9 Å EC: 5.99.1.3 CRYSTAL STRUCTURE OF THE ATPASE REGION OF SACCHAROMYCES CERE TOPOISOMERASE II BOUND TO ICRF-187 (DEXRAZOXANE) SACCHAROMYCES CEREVISIAE GHKL ATPASE DOMAIN ICRF ICRF-187 DEXRAZOXANE ISOMERASE
Ref.: STRUCTURE OF THE TOPOISOMERASE II ATPASE REGION AND MECHANISM OF INHIBITION BY THE CHEMOTHERAPEUTIC AGE ICRF-187 PROC.NATL.ACAD.SCI.USA V. 100 10629 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:902;
B:903;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
CDX B:901;
Valid;
none;
submit data
268.269 C11 H16 N4 O4 C[C@H...
MG A:904;
B:905;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QZR 1.9 Å EC: 5.99.1.3 CRYSTAL STRUCTURE OF THE ATPASE REGION OF SACCHAROMYCES CERE TOPOISOMERASE II BOUND TO ICRF-187 (DEXRAZOXANE) SACCHAROMYCES CEREVISIAE GHKL ATPASE DOMAIN ICRF ICRF-187 DEXRAZOXANE ISOMERASE
Ref.: STRUCTURE OF THE TOPOISOMERASE II ATPASE REGION AND MECHANISM OF INHIBITION BY THE CHEMOTHERAPEUTIC AGE ICRF-187 PROC.NATL.ACAD.SCI.USA V. 100 10629 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1QZR - CDX C11 H16 N4 O4 C[C@H](CN1....
2 1PVG - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1QZR - CDX C11 H16 N4 O4 C[C@H](CN1....
2 1PVG - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZXM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1QZR - CDX C11 H16 N4 O4 C[C@H](CN1....
3 1PVG - 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
Ligand no: 2; Ligand: CDX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CDX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QZR; Ligand: ANP; Similar sites found with APoc: 160
This union binding pocket(no: 1) in the query (biounit: 1qzr.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2UZH IPE None
2 1UQX MMA None
3 2FKA BEF None
4 1XXA ARG None
5 1L5Y BEF 0.956938
6 2FYF PLP 1.25628
7 2XVE FAD 1.43541
8 2XVF FAD 1.43541
9 1GKZ ADP 1.54639
10 6F5W KG1 1.62602
11 5Y3N 8MF 1.67464
12 2BES RES 1.74419
13 5Z3I ADE 1.88679
14 2IMG MLT 1.98676
15 4B7E OGA 2.00573
16 4U0S ADP 2.03488
17 1J78 OLA 2.15311
18 3H4L ANP 2.17984
19 5NM7 GLY 2.25564
20 4Q0A 4OA 2.31788
21 4IPE ANP 2.39234
22 4XFR CIT 2.39234
23 2GL0 ADN 2.39521
24 3LL5 IP8 2.40964
25 3TKY N7I 2.44565
26 5CGE 51F 2.52708
27 1KYQ NAD 2.55474
28 5LY1 PPI 2.62467
29 6E8I PTR 2.63158
30 1C96 FLC 2.63158
31 5AHS COA 2.74314
32 1RM0 D6P 2.87081
33 2CUN 3PG 2.87081
34 6H45 QEI 2.87081
35 5EY0 ILE 2.91971
36 5F5R ANP 2.94118
37 3LE7 ADE 3.06513
38 4IVG ANP 3.11005
39 2O1V ADP 3.11005
40 2W90 6PG 3.11005
41 1GPM CIT 3.11005
42 5J6A P46 3.25
43 1TZJ A3B 3.25444
44 4IJ6 SEP 3.31754
45 5LX9 OLB 3.34928
46 4UOX PLP 3.34928
47 4A34 FUL 3.40136
48 5ZZO FLC 3.48259
49 6ACS CIT 3.48837
50 2WME NAP 3.58852
51 1B63 ANP 3.6036
52 5C9P FUC 3.67454
53 1U3G ADP 3.7037
54 2HHP FLC 3.82775
55 3MA0 XYP 3.83387
56 2C2A ADP 3.87597
57 3FGZ BEF 3.90625
58 4B7P 9UN 3.91304
59 3A76 SPD 3.97727
60 3K60 ADP 4.03587
61 5OF9 ANP 4.06699
62 5UC4 83S 4.09091
63 3D36 ADP 4.09836
64 2BD0 BIO 4.09836
65 4XCP PLM 4.11765
66 3VPH FBP 4.19355
67 2GAG FOA 4.28571
68 5WKC F50 4.30622
69 4JGT PYR 4.34783
70 2PS1 ORO 4.42478
71 1BGQ RDC 4.44444
72 3CHT 4NB 4.46429
73 4RLQ 3SK 4.54545
74 4V1F BQ1 4.65116
75 5WBF LAC 4.78469
76 4OGQ 7PH 4.78469
77 2ITM XUL 4.78469
78 5I8F ML1 4.84848
79 2J5V PCA 4.90463
80 2JCB ADP 5
81 2WDQ TEO 5.04202
82 3B8I OXL 5.22648
83 1UGY GLA BGC 5.26316
84 1UGY GLA GLC 5.26316
85 1I58 ADP 5.29101
86 1I58 ACP 5.29101
87 6BYF CIT 5.29412
88 1YC4 43P 5.30303
89 5AHO TLA 5.35714
90 4XCL AGS 5.40541
91 1I7A FLC 5.40541
92 2WR9 MAN MAN 5.46875
93 2P3V SRT 5.46875
94 3L6R MLI 5.49133
95 3B2Q AES 5.50239
96 2IOR ADP 5.53191
97 1RV1 IMZ 5.88235
98 5O2Z FLC 5.88235
99 1VL1 CIT 6.03448
100 1P0Z FLC 6.10687
101 1LK7 DER 6.11354
102 1GXS DKA 6.32911
103 2PHR MAN MAN BMA MAN 6.34921
104 4WOH 4NP 6.45933
105 4YSX E23 6.45933
106 5TCI MLI 6.52174
107 5A9A UTP 6.58436
108 3IT7 TLA 6.59341
109 5TP0 BRN 6.69643
110 5IDM ANP 6.70391
111 1Y7P RIP 6.72646
112 1O8B ABF 6.84932
113 3CT5 NAG NAG NAG 6.91824
114 5A1S FLC 6.9378
115 4ZTD ALA GLY ALA GLY ALA 7.11462
116 4WGF HX2 7.31707
117 6D28 NEC 7.32601
118 1A0J BEN 7.62332
119 4P83 U5P 7.69231
120 2GNK ATP 8.03571
121 4PL9 ADP 8.19672
122 3EHH ADP 8.25688
123 2GFD RDA 8.47458
124 4K30 NLG 8.75
125 2BOI MFU 8.84956
126 5NBW 8SK 8.8785
127 4F4S EFO 9.21053
128 3LLZ GAL NGA 9.77444
129 2WOR 2AN 10
130 4GCZ ADP 10.5263
131 1XXR MAN 10.559
132 4IF4 BEF 11.0577
133 6BVK EAV 11.3772
134 6BVM EBV 11.3772
135 6BVI EC4 11.3772
136 6BVL EBY 11.3772
137 4BIX ADP 11.4094
138 1XVB 3BR 12.3529
139 2DTJ THR 12.9213
140 1NF8 BOG 13.0435
141 4TV1 36M 13.1474
142 2ZKJ ADP 13.198
143 3F81 STT 13.6612
144 3EHG ATP 14.0625
145 2XCM ADP 14.1304
146 2JDU MFU 15.6522
147 5KAU RHQ 15.7576
148 1M0S CIT 17.3516
149 1ID0 ANP 17.7632
150 1Y8O ADP 17.9688
151 1TID ATP 19.8529
152 1I0B PEL 19.8795
153 1R6N 434 19.9052
154 2CB8 MYA 20.6897
155 2YI0 YI0 21.3974
156 1TH8 ADP 25
157 1S14 NOV 26.2887
158 1S16 ANP 39.4872
159 4URN NOV 40
160 4URL XAM 40.4306
Pocket No.: 2; Query (leader) PDB : 1QZR; Ligand: CDX; Similar sites found with APoc: 89
This union binding pocket(no: 2) in the query (biounit: 1qzr.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 1UQX MMA None
2 1L5Y BEF 0.956938
3 1GKZ ADP 1.54639
4 5Y3N 8MF 1.67464
5 2IMG MLT 1.98676
6 4U0S ADP 2.03488
7 3QPB URA 2.12766
8 1J78 OLA 2.15311
9 3H4L ANP 2.17984
10 4XFR CIT 2.39234
11 4IPE ANP 2.39234
12 1XX6 ADP 2.6178
13 5AHS COA 2.74314
14 6C90 ADP 2.87081
15 5F5R ANP 2.94118
16 2O1V ADP 3.11005
17 4IVG ANP 3.11005
18 5J6A P46 3.25
19 1YQT ADP 3.34928
20 5LX9 OLB 3.34928
21 1P7T PYR 3.34928
22 2WME NAP 3.58852
23 1B63 ANP 3.6036
24 6BE0 COA 3.64238
25 1U3G ADP 3.7037
26 2HHP FLC 3.82775
27 2C2A ADP 3.87597
28 3FGZ BEF 3.90625
29 3LRE ADP 3.94366
30 2D2F ADP 4
31 3K60 ADP 4.03587
32 5OF9 ANP 4.06699
33 5UC4 83S 4.09091
34 3D36 ADP 4.09836
35 2GAG FOA 4.28571
36 1BGQ RDC 4.44444
37 5OCQ CIT 4.5614
38 4OGQ 7PH 4.78469
39 5WBF LAC 4.78469
40 2ITM XUL 4.78469
41 2J5V PCA 4.90463
42 1Q19 SSC 5.02392
43 3B8I OXL 5.22648
44 1UGY GLA BGC 5.26316
45 1UGY GLA GLC 5.26316
46 5E58 CPZ 5.26316
47 1I58 ADP 5.29101
48 1I58 ACP 5.29101
49 6BYF CIT 5.29412
50 1YC4 43P 5.30303
51 4XCL AGS 5.40541
52 2WR9 MAN MAN 5.46875
53 2IOR ADP 5.53191
54 6G47 SIA 6.2201
55 4WOH 4NP 6.45933
56 5A9A UTP 6.58436
57 5IDM ANP 6.70391
58 4WGF HX2 7.31707
59 6D28 NEC 7.32601
60 4PL9 ADP 8.19672
61 3EHH ADP 8.25688
62 2GFD RDA 8.47458
63 2BOI MFU 8.84956
64 5TSH ADP 8.85168
65 3LLZ GAL NGA 9.77444
66 2WOR 2AN 10
67 4GCZ ADP 10.5263
68 4IF4 BEF 11.0577
69 1OYJ GSH 11.2554
70 6BVK EAV 11.3772
71 6BVM EBV 11.3772
72 4BIX ADP 11.4094
73 2ZKJ ADP 13.198
74 3F81 STT 13.6612
75 3EHG ATP 14.0625
76 2XCM ADP 14.1304
77 2JDU MFU 15.6522
78 3KOX Z98 17.3554
79 1ID0 ANP 17.7632
80 1Y8O ADP 17.9688
81 1TID ATP 19.8529
82 1I0B PEL 19.8795
83 2YI0 YI0 21.3974
84 1TH8 ADP 25
85 1S14 NOV 26.2887
86 4HZ0 1AV 37.5587
87 1S16 ANP 39.4872
88 4URN NOV 40
89 4URL XAM 40.4306
Pocket No.: 3; Query (leader) PDB : 1QZR; Ligand: ANP; Similar sites found with APoc: 41
This union binding pocket(no: 3) in the query (biounit: 1qzr.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1GQ2 OXL 1.91388
3 5GSN FAD 1.91388
4 5GSN MMZ 1.91388
5 5GSN NAP 1.91388
6 4R8L ASP 2.07792
7 3QPB URA 2.12766
8 1L5J TRA 2.15311
9 1P77 ATR 2.57353
10 1RM0 NAI 2.87081
11 4G86 BNT 3.16901
12 4G9N NGA 3.4965
13 4JBL MET 3.53982
14 2AJH MET 3.57143
15 1SBR VIB 4
16 2XHK AKG 4.05405
17 1T0S BML 4.54545
18 1MRH FMC 4.56274
19 2Q4G CIT 4.65116
20 3KIF GDL 4.71698
21 3GXA MET 4.72727
22 3IR1 MET 4.89796
23 6G47 SIA 6.2201
24 2PHF MAN MAN BMA MAN 6.34921
25 2AWN ADP 6.56168
26 3R7F CP 6.57895
27 1MID LAP 6.59341
28 1UOU CMU 6.69856
29 5ODQ 9SB 6.87285
30 1YOE RIB 7.76398
31 1Z82 G3H 8.0597
32 1Z82 G3P 8.0597
33 5CKS GAL 8.83191
34 2OEM 1AE 10.1695
35 5YB7 ORN 10.2871
36 1OYJ GSH 11.2554
37 6BVJ EAS 11.3772
38 3CMJ SRT 12.9032
39 2V5E SCR 13.8614
40 5MWE TCE 15.7143
41 4HZ0 1AV 37.5587
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