Receptor
PDB id Resolution Class Description Source Keywords
3TM0 2.1 Å EC: 2.7.1.95 CRYSTAL STRUCTURE OF 3',5"-AMINOGLYCOSIDE PHOSPHOTRANSFERASE AMPPNP BUTIROSIN A COMPLEX ENTEROCOCCUS FAECALIS PROTEIN KINASE PHOSPHORYLATION TRANSFERASE-ANTIBIOTIC COMP
Ref.: STRUCTURAL BASIS OF APH(3')-IIIA-MEDIATED RESISTANC N1-SUBSTITUTED AMINOGLYCOSIDE ANTIBIOTICS. ANTIMICROB.AGENTS CHEMOTHER. V. 53 3049 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:300;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
B31 A:305;
Valid;
none;
submit data
555.577 C21 H41 N5 O12 C1[C@...
MG A:265;
A:266;
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
3TM0 2.1 Å EC: 2.7.1.95 CRYSTAL STRUCTURE OF 3',5"-AMINOGLYCOSIDE PHOSPHOTRANSFERASE AMPPNP BUTIROSIN A COMPLEX ENTEROCOCCUS FAECALIS PROTEIN KINASE PHOSPHORYLATION TRANSFERASE-ANTIBIOTIC COMP
Ref.: STRUCTURAL BASIS OF APH(3')-IIIA-MEDIATED RESISTANC N1-SUBSTITUTED AMINOGLYCOSIDE ANTIBIOTICS. ANTIMICROB.AGENTS CHEMOTHER. V. 53 3049 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1J7U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1L8T - KAN C18 H36 N4 O11 C1[C@H]([C....
3 3TM0 - B31 C21 H41 N5 O12 C1[C@@H]([....
4 1J7L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1J7U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1L8T - KAN C18 H36 N4 O11 C1[C@H]([C....
3 3TM0 - B31 C21 H41 N5 O12 C1[C@@H]([....
4 1J7L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1J7U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 1L8T - KAN C18 H36 N4 O11 C1[C@H]([C....
3 3TM0 - B31 C21 H41 N5 O12 C1[C@@H]([....
4 1J7L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Ligand no: 2; Ligand: B31; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 B31 1 1
2 RIO 0.585366 0.90566
3 PAR 0.473118 0.90566
4 NMY 0.472527 0.90566
5 9CS 0.43956 0.867925
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TM0; Ligand: ANP; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 3tm0.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IJP 1EH 0.000106 0.41405 1.90114
2 3IGO ANP 0.001293 0.44263 2.28137
3 4NZN 2OU 0.001199 0.42793 2.28137
4 4NZN ANP 0.001199 0.42793 2.28137
5 2R5T ANP 0.000176 0.41569 2.28137
6 4ANW O92 0.002635 0.4031 2.28137
7 5A6N U7E 0.00036 0.40238 2.28137
8 4Y0X ADP 0.0001433 0.4007 2.28137
9 4N70 2HX 0.0001498 0.46747 2.6616
10 4BTK DTQ 0.000000997 0.45923 2.6616
11 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0005517 0.45181 2.6616
12 2JDR L20 0.0005517 0.45181 2.6616
13 1RE8 BD2 0.0006934 0.43929 2.6616
14 2GU8 796 0.001478 0.43381 2.6616
15 4WB6 ATP 0.0001369 0.43178 2.6616
16 4WB7 ATP 0.0008167 0.42611 2.6616
17 3CY2 MB9 0.000176 0.41669 2.6616
18 3MVH WFE 0.001226 0.40939 2.6616
19 2Q7D ANP 0.007261 0.40405 2.6616
20 5X8I SQZ 0.0001853 0.4013 2.6616
21 2F2U M77 0.002079 0.46299 3.04183
22 2XMY CDK 0.00499 0.41851 3.04183
23 2PUL ACP 0.00003996 0.41288 3.04183
24 5GZ9 ANP 0.0005437 0.40281 3.04183
25 2Z7R STU 0.00005123 0.50375 3.42205
26 4NW6 2NS 0.001213 0.41563 3.42205
27 5LI9 ACP 0.0006843 0.46289 3.80228
28 3RI1 3RH 0.0001015 0.44049 3.80228
29 3QCQ 3Q0 0.002968 0.43827 3.80228
30 5HX8 66P 0.0002881 0.42055 3.80228
31 5LI1 ANP 0.0001636 0.41436 3.80228
32 3KRR DQX 0.002961 0.42706 4.18251
33 5I35 ANP 0.00002065 0.42599 4.18251
34 4TWP AXI 0.003743 0.4243 4.18251
35 1XJD STU 0.00006221 0.41553 4.18251
36 2B9H ADP 0.0002551 0.404 4.18251
37 2B9I ADP 0.0001686 0.40359 4.18251
38 5DMZ ADP 0.0001806 0.40258 4.18251
39 5C4L 4XR 0.00004523 0.46525 4.56274
40 2WQN ADP 0.002131 0.45755 4.56274
41 5C4L SIS 0.0005088 0.42686 4.56274
42 5HCY 60D 0.00175 0.42156 4.56274
43 3LXN MI1 0.0001891 0.40871 4.56274
44 3PP0 03Q 0.005062 0.405 4.56274
45 2A19 ANP 0.0001541 0.52018 4.57143
46 2ZV2 609 0.001878 0.46523 4.94297
47 4X7Q 3YR 0.00006593 0.41242 4.94297
48 4EUU BX7 0.0005131 0.41211 4.94297
49 5T8O 76Z 0.0002061 0.40566 4.94297
50 5USZ SKE 0.001467 0.40141 4.94297
51 2BPM 529 0.0006394 0.44271 5.32319
52 4YZC STU 0.0005572 0.43368 5.32319
53 4CRL C1I 0.002601 0.40462 5.32319
54 3G5D 1N1 0.00888 0.4026 5.32319
55 2PVN P63 0.0003365 0.44583 5.70342
56 1VJY 460 0.001043 0.41808 5.70342
57 4YZN 4K5 0.0002434 0.4133 5.70342
58 4OCJ NDG 0.00001502 0.49463 6.08365
59 4OCV ANP 0.00001703 0.43963 6.46388
60 3DLS ADP 0.00001094 0.41527 6.46388
61 4UX9 ANP 0.0002081 0.40742 6.46388
62 3E8N ATP 0.0007644 0.43659 6.84411
63 3E8N VRA 0.0007644 0.43659 6.84411
64 2YAB AMP 0.00002511 0.43086 6.84411
65 4AZW ATP 0.00005464 0.42931 6.84411
66 4F4P 0SB 0.002462 0.42733 6.84411
67 5UIU 8CG 0.001226 0.41547 6.84411
68 1OUK 084 0.02509 0.40465 6.84411
69 3SRV S19 0.00009707 0.4021 6.84411
70 2QCS ANP 0.00007199 0.44242 7.22433
71 5BVE 4VG 0.0014 0.43879 7.22433
72 4BFM ANP 0.00004971 0.42745 7.22433
73 4E93 GUI 0.001064 0.41776 7.22433
74 5IH9 6BF 0.001581 0.41528 7.22433
75 4H3Q ANP 0.0003683 0.40951 7.22433
76 4JR7 GNP 0.00003835 0.41863 7.60456
77 3TKI S25 0.003792 0.41579 7.60456
78 4WNK 453 0.001028 0.41264 7.60456
79 4IX4 ADP 0.00000468 0.45569 7.98479
80 4GYI ADP 0.00000448 0.42972 7.98479
81 3HAV ATP 0.0002548 0.42144 7.98479
82 4PU5 ANP 0.0004736 0.40528 7.98479
83 3GC8 B45 0.0002727 0.40382 7.98479
84 1IA9 ANP 0.0002497 0.40314 7.98479
85 2CSN CKI 0.0003424 0.42092 8.36502
86 4UAL 3FV 0.00001265 0.43043 8.74525
87 4AXD ANP 0.002357 0.41112 8.74525
88 3FHI ANP 0.00008479 0.44131 9.09091
89 4CQE CQE 0.004438 0.40065 9.12547
90 3DNT ATP 0.0003489 0.41509 9.5057
91 3TDV GDP 0.00007248 0.41379 9.5057
92 2YAK OSV 0.0008756 0.41514 9.88593
93 1U59 STU 0.0001543 0.40154 9.88593
94 3IDB ANP 0.0003145 0.40969 9.93789
95 4Q5H ANP 0.00002895 0.53087 10.5263
96 3PE2 E1B 0.0002177 0.45893 10.6464
97 5CKW ANP 0.00001535 0.40677 11.0266
98 2JLD AG1 0.00005423 0.46745 12.1673
99 3F7Z 34O 0.00002182 0.4235 12.1673
100 4NM5 ADP 0.0002536 0.41179 12.1673
101 2PYW ADP 0.000002255 0.46873 13.308
102 5IGI ZIT 0.0003389 0.44317 13.6882
103 5IGI GMP 0.000313 0.44317 13.6882
104 4NFN 2KC 0.000003017 0.43999 15.2091
105 3LQV ADE 0.002216 0.46634 15.3846
106 4WW7 AMP 0.0000009219 0.4798 15.9696
107 1TQP ATP 0.000009136 0.46391 15.9696
108 3RE4 TO1 0.00001672 0.42213 18.9922
109 5IH1 GDP 0.0002039 0.4643 25.0951
110 5IH1 6BQ 0.000221 0.46292 25.0951
111 3W0O ADP 0.00004794 0.46041 25.0951
112 3W0O HY0 0.00004794 0.46041 25.0951
113 5IQD RIO 0.0000147 0.49499 26.9962
114 5IQD GNP 0.00001577 0.49231 26.9962
Pocket No.: 2; Query (leader) PDB : 3TM0; Ligand: B31; Similar sites found: 98
This union binding pocket(no: 2) in the query (biounit: 3tm0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IJP 1EH 0.0001148 0.40837 1.90114
2 3IGO ANP 0.001389 0.44263 2.28137
3 4NZN 2OU 0.00114 0.42614 2.28137
4 4NZN ANP 0.00114 0.42614 2.28137
5 2R5T ANP 0.0001907 0.41046 2.28137
6 4N70 2HX 0.0001882 0.46047 2.6616
7 4BTK DTQ 0.000001096 0.45189 2.6616
8 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0006781 0.44544 2.6616
9 2JDR L20 0.0006781 0.44544 2.6616
10 1RE8 BD2 0.0007779 0.4346 2.6616
11 2GU8 796 0.0018 0.42786 2.6616
12 4WB6 ATP 0.0001494 0.42587 2.6616
13 4WB7 ATP 0.000939 0.42113 2.6616
14 3CY2 MB9 0.000191 0.41103 2.6616
15 3MVH WFE 0.001331 0.40405 2.6616
16 2Q7D ANP 0.007764 0.40405 2.6616
17 2F2U M77 0.002207 0.46299 3.04183
18 2XMY CDK 0.005988 0.41305 3.04183
19 2PUL ACP 0.00004326 0.40721 3.04183
20 2Z7R STU 0.00005576 0.50375 3.42205
21 4NW6 2NS 0.00132 0.41018 3.42205
22 5LI9 ACP 0.000735 0.46289 3.80228
23 3RI1 3RH 0.0001109 0.43473 3.80228
24 3QCQ 3Q0 0.003199 0.43452 3.80228
25 5HX8 66P 0.0003133 0.4147 3.80228
26 5LI1 ANP 0.0001772 0.40882 3.80228
27 3KRR DQX 0.00357 0.4214 4.18251
28 5I35 ANP 0.00002241 0.42024 4.18251
29 4TWP AXI 0.004542 0.41857 4.18251
30 1XJD STU 0.00006744 0.40981 4.18251
31 5C4L 4XR 0.00003898 0.46262 4.56274
32 2WQN ADP 0.002266 0.45755 4.56274
33 5C4L SIS 0.0005102 0.42271 4.56274
34 5HCY 60D 0.002465 0.41335 4.56274
35 3PP0 03Q 0.005435 0.405 4.56274
36 3LXN MI1 0.0002044 0.40337 4.56274
37 2A19 ANP 0.0001652 0.52018 4.57143
38 2ZV2 609 0.001995 0.46523 4.94297
39 4X7Q 3YR 0.00007134 0.40683 4.94297
40 4EUU BX7 0.0005565 0.40653 4.94297
41 5T8O 76Z 0.0002227 0.40027 4.94297
42 2BPM 529 0.0007658 0.43689 5.32319
43 4YZC STU 0.0006813 0.42759 5.32319
44 2PVN P63 0.0003667 0.44583 5.70342
45 1VJY 460 0.001136 0.41255 5.70342
46 4YZN 4K5 0.0002637 0.40785 5.70342
47 4OCJ NDG 0.00001802 0.48791 6.08365
48 4OCV ANP 0.00001856 0.4336 6.46388
49 3DLS ADP 0.00001188 0.40917 6.46388
50 4UX9 ANP 0.0002249 0.40211 6.46388
51 3E8N ATP 0.0009193 0.43077 6.84411
52 3E8N VRA 0.0009193 0.43077 6.84411
53 2YAB AMP 0.00002731 0.42482 6.84411
54 4AZW ATP 0.00005936 0.42363 6.84411
55 4F4P 0SB 0.002986 0.42155 6.84411
56 5UIU 8CG 0.001334 0.41014 6.84411
57 1OUK 084 0.02677 0.4016 6.84411
58 2QCS ANP 0.00007876 0.43612 7.22433
59 5BVE 4VG 0.001719 0.43265 7.22433
60 4BFM ANP 0.00005403 0.42159 7.22433
61 5IH9 6BF 0.001049 0.41935 7.22433
62 4E93 GUI 0.001158 0.41232 7.22433
63 4H3Q ANP 0.0003983 0.4043 7.22433
64 4JR7 GNP 0.00004158 0.41282 7.60456
65 3TKI S25 0.00452 0.41046 7.60456
66 4WNK 453 0.001183 0.40623 7.60456
67 4IX4 ADP 0.000005134 0.44875 7.98479
68 4GYI ADP 0.000004871 0.42359 7.98479
69 3HAV ATP 0.0002129 0.42064 7.98479
70 4PU5 ANP 0.0005117 0.40021 7.98479
71 2CSN CKI 0.0003721 0.41554 8.36502
72 4UAL 3FV 0.00001377 0.42416 8.74525
73 4AXD ANP 0.002798 0.40587 8.74525
74 3FHI ANP 0.0000927 0.43517 9.09091
75 3DNT ATP 0.000378 0.40994 9.5057
76 3TDV GDP 0.0000784 0.40829 9.5057
77 2YAK OSV 0.0009514 0.40984 9.88593
78 3IDB ANP 0.0003404 0.40434 9.93789
79 4Q5H ANP 0.00003143 0.53087 10.5263
80 3PE2 E1B 0.0002758 0.45191 10.6464
81 5CKW ANP 0.00001658 0.40119 11.0266
82 2JLD AG1 0.00006776 0.46047 12.1673
83 3F7Z 34O 0.00002372 0.4174 12.1673
84 4NM5 ADP 0.0002776 0.40612 12.1673
85 2PYW ADP 0.000002481 0.46165 13.308
86 5IGI ZIT 0.0003824 0.43824 13.6882
87 5IGI GMP 0.0003711 0.43743 13.6882
88 4NFN 2KC 0.000003297 0.43326 15.2091
89 3LQV ADE 0.002327 0.46634 15.3846
90 4WW7 AMP 0.00000102 0.47184 15.9696
91 1TQP ATP 0.00001005 0.45705 15.9696
92 3RE4 TO1 0.00001815 0.41611 18.9922
93 5IH1 GDP 0.0002389 0.45853 25.0951
94 5IH1 6BQ 0.0002589 0.45717 25.0951
95 3W0O ADP 0.00004857 0.45498 25.0951
96 3W0O HY0 0.00004857 0.45498 25.0951
97 5IQD RIO 0.00001801 0.48792 26.9962
98 5IQD GNP 0.00001795 0.48647 26.9962
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