Receptor
PDB id Resolution Class Description Source Keywords
3HAV 2.45 Å EC: 2.-.-.- STRUCTURE OF THE STREPTOMYCIN-ATP-APH(2")-IIA TERNARY COMPLE ENTEROCOCCUS FAECIUM AMINOGLYCOSIDE STREPTOMYCIN ANTIBIOTIC RESISTANCE TRANSFE
Ref.: THE CRYSTAL STRUCTURES OF SUBSTRATE AND NUCLEOTIDE OF ENTEROCOCCUS FAECIUM AMINOGLYCOSIDE-2''-PHOSPHOTRANSFERASE-IIA [APH(2'') PROVIDE INSIGHTS INTO SUBSTRATE SELECTIVITY IN THE SUBFAMILY. J.BACTERIOL. V. 191 4133 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:401;
B:401;
C:401;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:402;
B:402;
C:402;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SRY A:403;
B:403;
C:403;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
581.574 C21 H39 N7 O12 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HAV 2.45 Å EC: 2.-.-.- STRUCTURE OF THE STREPTOMYCIN-ATP-APH(2")-IIA TERNARY COMPLE ENTEROCOCCUS FAECIUM AMINOGLYCOSIDE STREPTOMYCIN ANTIBIOTIC RESISTANCE TRANSFE
Ref.: THE CRYSTAL STRUCTURES OF SUBSTRATE AND NUCLEOTIDE OF ENTEROCOCCUS FAECIUM AMINOGLYCOSIDE-2''-PHOSPHOTRANSFERASE-IIA [APH(2'') PROVIDE INSIGHTS INTO SUBSTRATE SELECTIVITY IN THE SUBFAMILY. J.BACTERIOL. V. 191 4133 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3HAM - LLL C19 H39 N5 O7 C[C@@]1(CO....
2 3HAV - SRY C21 H39 N7 O12 [H]/N=C(/N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 3HAM - LLL C19 H39 N5 O7 C[C@@]1(CO....
2 3HAV - SRY C21 H39 N7 O12 [H]/N=C(/N....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3HAM - LLL C19 H39 N5 O7 C[C@@]1(CO....
2 3HAV - SRY C21 H39 N7 O12 [H]/N=C(/N....
3 5IQI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 5IQE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 5IQF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 4ORK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5IQH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 5IQG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5BYL - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
10 5IQA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 5IQD - RIO C17 H34 N4 O10 C1[C@H]([C....
12 5IQB - KAN C18 H36 N4 O11 C1[C@H]([C....
13 5IQC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: SRY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SRY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HAV; Ligand: ATP; Similar sites found: 323
This union binding pocket(no: 1) in the query (biounit: 3hav.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL 0.00541 0.41899 None
2 2BOS GLA GAL GLC 0.005634 0.41765 None
3 5EPL 5R0 PHE ALA LEU ELY 5R5 0.01314 0.41421 None
4 2QK4 ATP 0.0002808 0.48805 1.00334
5 5M06 ADP 0.00008137 0.52317 1.44928
6 3KJI ADP 0.01956 0.40448 1.5748
7 3P8N L4T 0.03138 0.40363 1.6129
8 5C1P DAL DAL 0.0001468 0.52902 1.67224
9 5C1P ADP 0.0000616 0.52744 1.67224
10 5L0U 660 0.02039 0.41622 1.67224
11 3V4S ATP 0.0001165 0.40755 1.67224
12 3VSV XYS 0.01141 0.4044 1.67224
13 5V22 SAH 0.005079 0.43858 1.6835
14 4FMU 0UM 0.01573 0.41876 1.79856
15 2QX0 PH2 0.001958 0.4169 1.88679
16 4CC6 L5Y 0.0000249 0.50116 2.00669
17 4Y85 499 0.00612 0.42953 2.00669
18 1EHI ADP 0.0002067 0.40481 2.00669
19 1IA9 ANP 0.00009992 0.43792 2.14286
20 1TZD ADP 0.002038 0.43711 2.18182
21 3AB4 THR 0.004138 0.40186 2.24719
22 1W2D ADP 0.0004046 0.44373 2.26415
23 2KCE D16 0.007273 0.45707 2.27273
24 3KCC CMP 0.001699 0.46283 2.30769
25 1NFQ NAI 0.04391 0.40488 2.30769
26 4MV1 ADP 0.003494 0.463 2.34114
27 2PUL ACP 0.0001591 0.43822 2.34114
28 2CFM AMP 0.0004709 0.43508 2.34114
29 4S3R 7SA 0.01991 0.42491 2.34114
30 4P25 FUC GAL NAG FUC 0.01476 0.41171 2.34114
31 2RIO ADP 0.000554 0.4106 2.34114
32 3ORQ ADP 0.0001362 0.40322 2.34114
33 4GLW 0XT 0.00002955 0.49858 2.67559
34 5MW8 ATP 0.0005128 0.49496 2.67559
35 4EN4 GT0 0.00501 0.46335 2.67559
36 4EN4 GT1 0.00501 0.46335 2.67559
37 3TII ANP 0.001665 0.45151 2.67559
38 4K38 SAM 0.005752 0.43634 2.67559
39 3OV6 MK0 0.01434 0.43054 2.67559
40 3WVR AMP 0.0003201 0.42751 2.67559
41 1AUX AGS 0.00007713 0.42663 2.67559
42 4K39 SAM 0.009425 0.42288 2.67559
43 4X7Q 3YR 0.0002727 0.41911 2.67559
44 1PN0 IPH 0.04981 0.41735 2.67559
45 2HGS ADP 0.0000273 0.41579 2.67559
46 3IES M24 0.03428 0.41246 2.67559
47 4N9I PCG 0.01512 0.44088 2.85714
48 4JR7 GNP 0.00009389 0.52394 3.01003
49 4I94 ANP 0.00008745 0.43964 3.01003
50 4QDC ASD 0.01326 0.41295 3.01003
51 4ZS4 ATP 0.0007897 0.40552 3.01003
52 1MDC PLM 0.01799 0.41428 3.0303
53 4ZGP ADP 0.0002385 0.50116 3.07167
54 4MLO PAM 0.01749 0.40434 3.26087
55 3PDT ADP 0.001119 0.41564 3.27273
56 5C03 AGS 0.000031 0.54951 3.34448
57 1Q8Y ADE 0.0001281 0.47467 3.34448
58 4WOV 3SM 0.0005818 0.42684 3.34448
59 5LRT ADP 0.01351 0.4243 3.34448
60 4I6H 1C8 0.000212 0.41701 3.34448
61 5KBF CMP 0.01111 0.41397 3.34448
62 5EXK 5AD 0.00943 0.40661 3.34448
63 1SVK ALF GDP 0.04012 0.40441 3.34448
64 5VSM 5AD 0.02718 0.40118 3.34448
65 4YZN 4K5 0.0002112 0.51503 3.48432
66 3VPC ADP 0.00004713 0.41553 3.5461
67 4LRJ ANP 0.001104 0.4042 3.5503
68 2RDE C2E 0.01791 0.40152 3.58566
69 4BKJ STI 0.0000985 0.53862 3.67893
70 4LH7 1X8 0.00003989 0.52758 3.67893
71 5EOB 5QQ 0.0007809 0.51856 3.67893
72 4L9I 8PR 0.002098 0.45316 3.67893
73 2FB3 GTP 0.01421 0.42998 3.67893
74 2FB3 5AD 0.006711 0.42733 3.67893
75 3GGO ENO 0.02671 0.42543 3.67893
76 5BV3 M7G 0.009957 0.42427 3.67893
77 3ILR SGN 0.03129 0.4242 3.67893
78 2FB3 MET 0.007258 0.42345 3.67893
79 3GGF GVD 0.0005599 0.42087 3.67893
80 3RGA ILD 0.02663 0.40836 3.67893
81 5DEY 59T 0.0001161 0.56476 3.7037
82 5A89 ADP 0.01896 0.43435 3.84615
83 5A89 FMN 0.01896 0.43435 3.84615
84 5VLQ ANP 0.0005918 0.41042 3.90492
85 1K3A ACP 0.00007121 0.52361 4.01338
86 4YMJ 4EJ 0.00003784 0.52338 4.01338
87 1IOW PHY 0.0004297 0.51649 4.01338
88 1IOW ADP 0.0004297 0.51649 4.01338
89 2V7O DRN 0.00002031 0.50913 4.01338
90 5EFQ ADP 0.0002143 0.50696 4.01338
91 4CLI 5P8 0.001568 0.49363 4.01338
92 2IF8 ADP 0.0001319 0.48374 4.01338
93 3NW7 LGV 0.004645 0.46849 4.01338
94 4OUC 5ID 0.002207 0.44995 4.01338
95 2VN9 GVD 0.0007395 0.44046 4.01338
96 2YRX AMP 0.006152 0.41624 4.01338
97 1CKN GTP 0.002495 0.41486 4.01338
98 1CKM GTP 0.003266 0.41045 4.01338
99 5GZ9 ANP 0.02374 0.40705 4.01338
100 2YW2 ATP 0.0001541 0.40645 4.01338
101 3PLS ANP 0.0002474 0.43087 4.02685
102 4ZU4 4TG 0.01064 0.422 4.05405
103 4AU8 Z3R 0.002563 0.41254 4.05405
104 5TO8 7FM 0.00004492 0.5745 4.25532
105 4ZSD 7I6 0.01665 0.40773 4.26829
106 5W2I ADP 0.001652 0.46992 4.28016
107 5W2I I3P 0.001652 0.46992 4.28016
108 3OFM 4B0 0.00001806 0.55392 4.28571
109 3JRS A8S 0.02606 0.4046 4.32692
110 2OFV 242 0.00006568 0.56314 4.33213
111 3SRV S19 0.0001199 0.43596 4.33213
112 3DLS ADP 0.00002596 0.54882 4.34783
113 1M0W ANP 0.00009802 0.51825 4.34783
114 4NST ADP 0.0001442 0.5163 4.34783
115 5CKW ANP 0.00009716 0.51264 4.34783
116 5UIU 8CG 0.0004992 0.506 4.34783
117 5AX9 4KT 0.0002514 0.50334 4.34783
118 4PZ6 GMP 0.0001038 0.48714 4.34783
119 1VJY 460 0.001518 0.48265 4.34783
120 4U44 3D9 0.0008493 0.47488 4.34783
121 2WQN ADP 0.0007642 0.42411 4.34783
122 2H8H H8H 0.0001582 0.42218 4.34783
123 3H9R TAK 0.002035 0.42192 4.34783
124 4FHD EEM 0.02213 0.41956 4.34783
125 1Y57 MPZ 0.00002217 0.41936 4.34783
126 3UIM ANP 0.0005622 0.40917 4.34783
127 4F4P 0SB 0.0004847 0.53564 4.3956
128 3PE2 E1B 0.0001968 0.54578 4.45104
129 3G5D 1N1 0.000619 0.52649 4.54545
130 2WEL K88 0.00351 0.42611 4.66667
131 5UR1 YY9 0.00005695 0.57215 4.68227
132 5DXT 5H5 0.00001843 0.56407 4.68227
133 5U6C 7YS 0.00002722 0.56106 4.68227
134 4IX4 ADP 0.0000383 0.54981 4.68227
135 3RI1 3RH 0.00007638 0.54725 4.68227
136 4N70 2HX 0.0002134 0.54628 4.68227
137 3AKK ADP 0.00008831 0.52763 4.68227
138 5LXC 7AA 0.0001666 0.5068 4.68227
139 5CEO 50D 0.0002317 0.50431 4.68227
140 5JKG 6LF 0.001881 0.48273 4.68227
141 4IJP 1EH 0.001177 0.47237 4.68227
142 5HES 032 0.002057 0.46174 4.68227
143 4WNK 453 0.0039 0.45702 4.68227
144 3CY2 MB9 0.00002757 0.41943 4.68227
145 2PVF ACP 0.0007834 0.40908 4.68227
146 2Q7D ANP 0.00003675 0.40839 4.68227
147 2ZV2 609 0.0002194 0.45393 4.69799
148 4XV1 904 0.0002155 0.5303 4.79452
149 4TWP AXI 0.0003167 0.53315 4.79705
150 5FBN 5WF 0.001625 0.48412 4.79705
151 4XLI 1N1 0.0002061 0.42431 4.85075
152 4L3L 5FI 0.00004666 0.56125 5.01672
153 4P5Z Q7M 0.0004822 0.51712 5.01672
154 3TKI S25 0.001121 0.50962 5.01672
155 5MJA 7O3 0.000545 0.48109 5.01672
156 3C0G 3AM 0.00007108 0.46383 5.01672
157 2HY0 306 0.00193 0.40348 5.01672
158 1BYG STU 0.001228 0.4107 5.03597
159 4CQE CQE 0.0001278 0.40816 5.03597
160 1FM9 9CR 0.01332 0.41845 5.14706
161 5VC5 96M 0.0009499 0.48785 5.19031
162 4WNP 3RJ 0.0001733 0.45198 5.22648
163 5H2U 1N1 0.0003355 0.408 5.24345
164 5DA3 58V 0.0003794 0.44315 5.28302
165 5TDF ADP 0.000029 0.55796 5.35117
166 5VZ0 ADP 0.00006939 0.53037 5.35117
167 4BCN T9N 0.0002108 0.4438 5.35117
168 5LPZ ADP 0.00006749 0.43546 5.35117
169 4OH4 ANP 0.0001133 0.42758 5.35117
170 4BCQ TJF 0.001277 0.42417 5.35117
171 1ZX5 LFR 0.01187 0.416 5.35117
172 3ZGJ RMN 0.004813 0.41169 5.35117
173 2VZ6 FEF 0.002707 0.41091 5.35117
174 2XMY CDK 0.004741 0.48069 5.36913
175 5LMK 6ZK 0.007404 0.42252 5.38721
176 5LPB ADP 0.0001032 0.51251 5.40541
177 3VOT ADP 0.00002476 0.54383 5.68562
178 5HQ0 LZ9 0.00009501 0.52963 5.68562
179 5DZT AMP 0.00004034 0.52081 5.68562
180 5MY8 RXZ 0.0002331 0.5171 5.68562
181 3PN1 IVH 0.00009852 0.50731 5.68562
182 4O1P ANP 0.0006686 0.48023 5.68562
183 5AWM ANP 0.0001899 0.45609 5.68562
184 3V8S 0HD 0.00003844 0.45327 5.68562
185 1ZY5 ANP 0.00007172 0.44948 5.68562
186 4J75 TYM 0.01905 0.42027 5.68562
187 1E4E ADP 0.0002728 0.41146 5.68562
188 5NBW 8SK 0.002526 0.40082 5.85586
189 3S0E EOL 0.01523 0.40812 5.88235
190 4QYN RTL 0.01546 0.41437 6.01504
191 5COU ATP 0.0001992 0.50776 6.02007
192 4XH0 ADP 0.0002606 0.48108 6.02007
193 3E7O 35F 0.002325 0.47349 6.02007
194 2F2U M77 0.0001332 0.46115 6.02007
195 4ARF IP8 GLY PRO ALA 0.007357 0.45471 6.02007
196 3PTG 932 0.001999 0.4432 6.02007
197 4IZY 1J2 0.00009616 0.41772 6.02007
198 1RF6 S3P 0.01849 0.41753 6.02007
199 3O0G 3O0 0.0007964 0.47382 6.04027
200 5ML3 DL3 0.01099 0.44319 6.04027
201 1MEX RAC 0.01238 0.40736 6.04651
202 4O4F ATP 0.00011 0.53507 6.04839
203 4O4F IHP 0.0001194 0.53507 6.04839
204 3AGC RCC 0.03551 0.40465 6.15942
205 4ZU5 THM 0.007585 0.426 6.25
206 3F7Z 34O 0.00002628 0.55281 6.35452
207 5BVE 4VG 0.001156 0.51516 6.35452
208 1O9U ADZ 0.00004603 0.51312 6.35452
209 3ZRM ZRM 0.00006169 0.43932 6.35452
210 3M2W L8I 0.0003597 0.43789 6.35452
211 4NM5 ADP 0.03321 0.42352 6.35452
212 4H3P ANP 0.0005975 0.40709 6.35452
213 4ZL4 4PK 0.03553 0.40245 6.35452
214 4Y0X ADP 0.00005341 0.5303 6.68896
215 4CYI ATP 0.0002815 0.50433 6.68896
216 4OCV ANP 0.000002022 0.47189 6.68896
217 4YLL 4E3 0.001372 0.47163 6.68896
218 4U98 ACP 0.00002023 0.45481 6.68896
219 2PZI AXX 0.00242 0.40466 6.68896
220 4UWH JXM 0.0000002571 0.54163 7.02341
221 4YZC STU 0.0002466 0.53251 7.02341
222 4UAL 3FV 0.00008493 0.52672 7.02341
223 3UDZ ADP 0.0005729 0.48514 7.02341
224 3DNT ATP 0.001157 0.47844 7.02341
225 4ME6 ADP 0.002118 0.43529 7.02341
226 1OBD ATP 0.001034 0.4161 7.35786
227 2QL9 CIT 0.01308 0.40467 7.51445
228 4C2W ANP 0.002807 0.41047 7.52688
229 3DAK ANP 0.0001301 0.44224 7.58621
230 5EYK 5U5 0.002033 0.47122 7.6087
231 5I35 ANP 0.00002095 0.46409 7.69231
232 4CRL C1I 0.0006009 0.50621 7.7193
233 2BKK ADP 0.0001002 0.51468 7.95455
234 4CFU 2WC 0.0001986 0.43473 8.01527
235 5W4W 9WG 0.001395 0.48397 8.02676
236 4AZW ATP 0.000001247 0.46902 8.02676
237 4KBA 1QM 0.0001591 0.46882 8.02676
238 2PYW ADP 0.00005241 0.42674 8.02676
239 4OAV ACP 0.0002222 0.42591 8.02676
240 5EKO N17 0.0006083 0.49212 8.3612
241 4BCM T7Z 0.0002234 0.48912 8.39695
242 2GQR ADP 0.003335 0.4455 8.43882
243 5FI4 5XV 0.00001124 0.58411 8.69565
244 5N87 N66 0.0001415 0.54482 8.69565
245 5HCY 60D 0.003071 0.47716 8.69565
246 3HMO STU 0.0005397 0.41377 8.69565
247 4BTK DTQ 0.0001941 0.50692 9.0301
248 4NFN 2KC 0.00003358 0.4571 9.0301
249 5TPV TYD 0.00683 0.41334 9.15033
250 4D2S DYK 0.0006508 0.47497 9.15493
251 4YNM SAM 0.02613 0.40081 9.29204
252 4XYM A12 0.00005331 0.54148 9.36455
253 4F9C 0SX 0.00007675 0.44563 9.36455
254 5L8L ADP 0.003906 0.43357 9.40171
255 4M69 ANP 0.00009877 0.52867 9.54064
256 4WW7 AMP 0.0000004933 0.65213 9.62567
257 5JFS 6K0 0.0004802 0.51959 9.699
258 5XDT MB3 0.02337 0.42135 9.74026
259 5XDT GDP 0.03024 0.40897 9.74026
260 5XDT ZI7 0.03514 0.40403 9.74026
261 2B9H ADP 0.0002805 0.50258 10.0334
262 4R78 AMP 0.00005283 0.48784 10.0334
263 4G17 0VN 0.002548 0.44644 10.0334
264 2B9J ADP 0.0001529 0.4323 10.0334
265 2B9F ADP 0.000194 0.42129 10.0334
266 2B9I ADP 0.0002688 0.41725 10.0334
267 1S68 AMP 0.001504 0.44891 10.0402
268 3MVH WFE 0.00012 0.53976 10.3679
269 5LXM ADP 0.005049 0.43455 10.5263
270 5G5G MCN 0.03732 0.41252 10.917
271 1U59 STU 0.00005705 0.43817 11.1498
272 5K2M ADP 0.000339 0.50772 11.3208
273 5EW9 5VC 0.006873 0.48898 11.4391
274 5I2E 67D 0.02478 0.43142 11.6279
275 2GU8 796 0.0002529 0.54841 11.7057
276 1RE8 BD2 0.001281 0.50009 11.7057
277 4WB6 ATP 0.001295 0.47789 11.7057
278 5LI1 ANP 0.001072 0.4755 11.7057
279 5TT5 NAD 0.002324 0.46667 11.7057
280 3HZT J60 0.001175 0.42531 11.7057
281 5LI9 ACP 0.0002903 0.4087 11.7057
282 3N1S 5GP 0.001416 0.40565 11.7647
283 4Q5H ANP 0.00004819 0.43574 11.8421
284 5HVJ ANP 0.001787 0.4481 12.0401
285 1PHK ATP 0.0002042 0.5099 12.0805
286 4WN5 MVC 0.01695 0.41643 12.1739
287 3TXO 07U 0.00003579 0.46467 12.3746
288 4A4X JUP 0.0002941 0.51327 13.2616
289 3ALN ANP 0.00008108 0.44221 13.3779
290 2X4Z X4Z 0.003811 0.46191 13.5135
291 5LVP ATP 0.0004628 0.48234 14.0468
292 5DQ8 FLF 0.02602 0.40768 15
293 5IH9 6BF 0.00312 0.4694 15.0502
294 5JZJ AN2 0.002454 0.44996 15.1515
295 5DBX ANP 0.002076 0.44762 15.3846
296 4BHN BH9 0.0003588 0.40027 15.3846
297 4XIZ LPP 0.01963 0.42539 15.7143
298 2JDR L20 0.000687 0.52411 15.7191
299 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.000687 0.52411 15.7191
300 1UNH IXM 0.0006787 0.47182 15.8654
301 3KRR DQX 0.0004211 0.54166 15.9322
302 4AUA 4AU 0.004379 0.43719 16.388
303 5UOX 8GY 0.0001306 0.40481 16.6052
304 3AQV TAK 0.0007505 0.47835 16.6667
305 2YAB AMP 0.0001698 0.51357 16.7224
306 3KN5 ANP 0.01087 0.41042 17.0569
307 5X8I SQZ 0.0005227 0.40933 17.0569
308 4Y8D 49J 0.0000688 0.43346 17.3913
309 3X01 AMP 0.00001195 0.54908 17.5573
310 3RE4 TO1 0.00007323 0.47192 17.8295
311 2A19 ANP 0.00009567 0.46963 19.0141
312 4USF 6UI 0.0000554 0.55017 19.0635
313 5A6N U7E 0.00002195 0.55834 19.0813
314 5BYZ 4WE 0.02107 0.42038 19.7324
315 3LQV ADE 0.001616 0.45501 20
316 4RDL FUC GAL NDG FUC 0.003562 0.42784 20.0669
317 1XJD STU 0.0001108 0.42411 20.4013
318 4DC2 ADE 0.0003563 0.45987 22.4747
319 3W0O HY0 0.0000008457 0.42285 29.4314
320 3W0O ADP 0.0000008457 0.42285 29.4314
321 5UKL SIX 0.0008293 0.49216 32.2581
322 3TDV GDP 0.00009106 0.43046 45.1505
323 4DFU QUE 0.000005841 0.54495 48.8294
Pocket No.: 2; Query (leader) PDB : 3HAV; Ligand: SRY; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 3hav.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SR7 MOF 0.02276 0.41016 1.5444
2 2D3N GLC GLC GLC GLC GLC GLC 0.03083 0.40868 1.67224
3 2D3N GLC 0.02819 0.40868 1.67224
4 1FWV SGA MAG FUC 0.01654 0.4088 2.23881
5 3K8L CEY 0.009485 0.40371 4.01338
6 4P5Z Q7M 0.03784 0.40403 5.01672
7 5T96 79J 0.016 0.40568 5.35117
8 5LLT DND 0.0225 0.41042 5.6338
9 1ULE GLA GAL NAG 0.008362 0.41833 13.3333
10 4DFB KAN 0.0002067 0.49322 48.8294
11 4DFU KAN 0.000535 0.46653 48.8294
Pocket No.: 3; Query (leader) PDB : 3HAV; Ligand: SRY; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 3hav.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DWQ SFG 0.01245 0.41976 3.34448
2 5O4J PJL 0.04147 0.40251 4.0146
3 2W47 UNF 0.01584 0.40325 5.55556
4 3NT6 FAD 0.03942 0.40859 22.408
Pocket No.: 4; Query (leader) PDB : 3HAV; Ligand: ATP; Similar sites found: 70
This union binding pocket(no: 4) in the query (biounit: 3hav.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W2D 4IP 0.0008699 0.41866 2.26415
2 4N14 WR7 0.004432 0.45628 2.34114
3 2VPQ ANP 0.001464 0.42924 2.34114
4 3Q60 ATP 0.01255 0.4055 2.34114
5 2AQX ATP 0.0005413 0.45122 2.42215
6 4OCJ NDG 0.00001731 0.43691 2.67559
7 1PK8 ATP 0.004735 0.40199 2.67559
8 5DMZ ADP 0.00617 0.41617 3.01003
9 1I7L ATP 0.002934 0.41343 3.01003
10 1GSA ADP 0.004757 0.40782 3.01003
11 1Q8Y ADP 0.005501 0.4115 3.34448
12 3K5I ADP 0.007324 0.40608 3.72208
13 3VPD ANP 0.001136 0.4375 3.91459
14 4ANW O92 0.0004487 0.41331 4.01338
15 4FL3 ANP 0.005212 0.40928 4.01338
16 3BU5 ATP 0.0002643 0.47821 4.34783
17 2R5T ANP 0.0008358 0.44318 4.34783
18 4Y93 746 0.001169 0.42646 4.34783
19 5NCY 8TK 0.0008895 0.41174 4.34783
20 5HX8 66P 0.002742 0.40859 4.34783
21 3SXS PP2 0.009729 0.4007 4.47761
22 3ETH ATP 0.004742 0.41103 4.68227
23 2X2M X2M 0.005459 0.40842 4.68227
24 4CSV STI 0.002884 0.41692 4.72727
25 2HK5 1BM 0.006313 0.4089 4.81482
26 3PP0 03Q 0.003523 0.41328 5.01672
27 2Y6O 1N1 0.004166 0.41343 5.15464
28 4E1Z 0MX 0.005825 0.40414 5.15464
29 5USZ SKE 0.001114 0.41848 5.19031
30 3LXN MI1 0.002191 0.42891 5.35117
31 5VCV 1N1 0.002746 0.4146 5.46624
32 4UX9 ANP 0.003355 0.42086 6.02007
33 2VQD AP2 0.002598 0.42569 6.25
34 2JLD AG1 0.0001652 0.42441 6.35452
35 4H3Q ANP 0.002101 0.42268 6.35452
36 3TPV ADE 0.003974 0.42117 6.68896
37 3TM0 ANP 0.0002548 0.42144 7.98479
38 3TM0 B31 0.0002129 0.42064 7.98479
39 3DGY 2GP 0.03554 0.40318 8.24742
40 2CSN CKI 0.0001768 0.45564 8.41751
41 4KS7 X4Z 0.003365 0.41412 8.56164
42 4E93 GUI 0.0001456 0.43198 9.0301
43 5T8O 76Z 0.00787 0.40472 9.0301
44 3ORK AGS 0.001619 0.42077 9.36455
45 4OTH DRN 0.00253 0.42267 9.38416
46 1OUK 084 0.007336 0.4398 9.699
47 4IDT T28 0.005213 0.42324 9.699
48 3GC8 B45 0.00315 0.41861 9.699
49 4LOO SB4 0.008699 0.40938 9.699
50 2QCS ANP 0.0004848 0.43833 11.7057
51 3SLS ANP 0.004462 0.41216 12.0401
52 2QLU ADE 0.02675 0.4072 12.1019
53 2PVN P63 0.0007073 0.42229 12.2159
54 4FG8 ATP 0.004961 0.41346 13.0435
55 3FHI ANP 0.0005441 0.43635 13.6364
56 4JDI ANP 0.003717 0.41892 13.7124
57 1V0O INR 0.002521 0.43382 14.2361
58 3OYW TDG 0.02894 0.40644 14.9254
59 4BFM ANP 0.0007996 0.44795 15.3846
60 3GQI ACP 0.0105 0.40566 15.4867
61 5LXT ACP 0.001156 0.43353 16.7832
62 3IDB ANP 0.0002405 0.46202 17.3913
63 2F57 23D 0.01143 0.41099 18.3946
64 2YAK OSV 0.00006701 0.45408 18.9474
65 2WU6 DKI 0.005079 0.40663 24.7492
66 3PVW QRX 0.001765 0.41615 27.027
67 2Z7R STU 0.0003205 0.46092 28.0936
68 4NW6 2NS 0.0006776 0.41045 28.4281
69 4DFU KAN 0.0004554 0.49444 48.8294
70 4DFB KAN 0.001359 0.4761 48.8294
Pocket No.: 5; Query (leader) PDB : 3HAV; Ligand: ATP; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 3hav.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IAW LIZ 0.02599 0.40342 2.65957
2 4K33 ACP 0.01056 0.40081 4.68227
3 3QRC SCR 0.002018 0.46866 8.28025
Pocket No.: 6; Query (leader) PDB : 3HAV; Ligand: SRY; Similar sites found: 1
This union binding pocket(no: 6) in the query (biounit: 3hav.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BU3 4W9 0.01 0.41544 8.15217
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