Receptor
PDB id Resolution Class Description Source Keywords
4KBF 1.9 Å EC: 3.-.-.- TWO DIFFERENT OPEN CONFORMATIONS OF THE HELICASE CORE OF THE HELICASE HERA THERMUS THERMOPHILUS DEAD BOX RNA HELICASE DIMER ATP-BINDING HELICASE HYDROLANUCLEOTIDE-BINDING
Ref.: REARRANGING RNA STRUCTURES AT 75C? TOWARD THE MOLEC MECHANISM AND PHYSIOLOGICAL FUNCTION OF THE THERMUS THERMOPHILUS DEAD-BOX HELICASE HERA. BIOPOLYMERS V. 99 1137 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:402;
A:403;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
AMP A:401;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
SO4 B:401;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KBF 1.9 Å EC: 3.-.-.- TWO DIFFERENT OPEN CONFORMATIONS OF THE HELICASE CORE OF THE HELICASE HERA THERMUS THERMOPHILUS DEAD BOX RNA HELICASE DIMER ATP-BINDING HELICASE HYDROLANUCLEOTIDE-BINDING
Ref.: REARRANGING RNA STRUCTURES AT 75C? TOWARD THE MOLEC MECHANISM AND PHYSIOLOGICAL FUNCTION OF THE THERMUS THERMOPHILUS DEAD-BOX HELICASE HERA. BIOPOLYMERS V. 99 1137 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3MWL Kd = 579 uM 8OX C10 H13 N5 O5 c1nc(c2c(n....
3 2GXS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2GXQ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
6 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
7 3IUY - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KBF; Ligand: AMP; Similar sites found: 381
This union binding pocket(no: 1) in the query (biounit: 4kbf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZCB GDP 0.01049 0.42356 None
2 5KSZ GCP 0.002932 0.4033 1.09589
3 2CJW GDP 0.001172 0.43807 1.5625
4 5CK5 GDP 0.000396 0.46973 1.58228
5 5HR5 ADP 0.003406 0.43738 1.64384
6 5GJC ATP 0.002701 0.43286 1.64384
7 1D2E GDP 0.002343 0.40273 1.64384
8 1MR3 G3D 0.0008544 0.45955 1.65746
9 2HT6 GDP 0.001245 0.4461 1.72414
10 2O0J ADP 0.000413 0.45949 1.81818
11 3DZD ADP 0.0001017 0.45192 1.91781
12 4XGU ADP 0.0001469 0.43834 1.91781
13 1V8K ANP 0.001145 0.43833 1.91781
14 4H1V GNP 0.0001744 0.43461 1.91781
15 1NY5 ADP 0.000192 0.43417 1.91781
16 4DCT GDP 0.001411 0.42459 1.91781
17 4HSE ADP 0.001758 0.42225 1.91781
18 1FNN ADP 0.0003593 0.41609 1.91781
19 4P8K 38C 0.04637 0.41355 1.91781
20 4B47 GDP 0.005045 0.41721 1.92837
21 2MBR EPU 0.03929 0.4203 2.05882
22 2MBR FAD 0.04036 0.4203 2.05882
23 4LPS GDP 0.001128 0.42975 2.06612
24 4D81 ADP 0.003128 0.43704 2.12014
25 3EWA ANP 0.00135 0.44728 2.17391
26 2DPY ADP 0.0003433 0.4793 2.19178
27 4FRZ ADP 0.000412 0.45114 2.19178
28 4IHQ ADP 0.001349 0.44445 2.19178
29 2Q2Y MKR 0.008515 0.44319 2.19178
30 2Q2Y ADP 0.008902 0.44319 2.19178
31 4LYA ATP 0.00128 0.42801 2.19178
32 3CV2 OXL 0.01638 0.40479 2.19178
33 1SQ5 ADP 0.001622 0.42294 2.27273
34 1AQU A3P 0.0006638 0.47231 2.3569
35 1M7G ADX 0.002548 0.46226 2.36967
36 1M7G AV2 0.0005688 0.46226 2.36967
37 1M7G ADP 0.004608 0.4462 2.36967
38 5FG3 GDP 0.003653 0.42388 2.4077
39 3E70 GDP 0.00001852 0.50434 2.43902
40 1BG2 ADP 0.0004252 0.42498 2.46154
41 5MZN ADP 0.0003608 0.47825 2.46575
42 2ZE7 DST 0.003812 0.44746 2.46575
43 2ZE7 AMP 0.00355 0.44746 2.46575
44 2ZFI ADP 0.002023 0.42801 2.46575
45 1OJ4 ANP 0.008359 0.41817 2.4735
46 5WRI A3P 0.00072 0.47698 2.5
47 1F6B GDP 0.004312 0.40534 2.52525
48 5IFS ADP 0.001104 0.45673 2.53165
49 2G86 UMP 0.04771 0.41215 2.53165
50 3NHB ADP 0.001074 0.45843 2.61438
51 2EFE GNH 0.0003671 0.42981 2.62172
52 5KSP GDP 0.004887 0.40257 2.63158
53 5WRJ A3P 0.0006693 0.48239 2.64026
54 2HF9 GSP 0.0009395 0.4115 2.65487
55 1RRC ADP 0.0005593 0.43135 2.65781
56 4NON GDP 0.001193 0.43761 2.69231
57 5TSH ANP 0.0001118 0.49908 2.73973
58 5TSH ADP 0.0002265 0.46132 2.73973
59 1NST A3P 0.0005039 0.47819 2.76923
60 1GOJ ADP 0.0001322 0.50545 2.8169
61 3FWY ADP 0.0009369 0.41507 2.86624
62 3BOS CDP 0.002713 0.42226 2.89256
63 2XT3 ADP 0.0002065 0.49516 2.90698
64 3NOJ PYR 0.01212 0.41912 2.94118
65 1UKZ ADP 0.01175 0.43029 2.95567
66 3H4S ADP 0.0002219 0.45098 2.96296
67 3Q72 GNP 0.0009298 0.45213 3.01205
68 2FSH ANP 0.00007546 0.50392 3.0137
69 2CE7 ADP 0.001592 0.44902 3.0137
70 2BIF SIN 0.0145 0.43474 3.0137
71 2BIF ANP 0.009659 0.43474 3.0137
72 4J0Q GDP 0.003691 0.42366 3.0137
73 1OE0 TTP 0.004801 0.44236 3.04348
74 2ZPT A3P 0.005688 0.46522 3.05085
75 1B0U ATP 0.002888 0.40036 3.05344
76 5M04 GDP 0.001986 0.43646 3.05556
77 3N5C GDP 0.002132 0.42645 3.08642
78 3LRE ADP 0.0002669 0.48696 3.09859
79 4WOP CTP 0.00009514 0.51862 3.11111
80 1FP6 ADP 0.0008617 0.42252 3.11419
81 1R0X ATP 0.001985 0.43648 3.14685
82 5J1J ANP 0.001769 0.45932 3.15789
83 2IYL GDP 0.0001253 0.48059 3.16901
84 2X77 GDP 0.002513 0.41436 3.1746
85 5IRR GSP 0.0001745 0.41165 3.24675
86 1CR1 TTP 0.001906 0.45392 3.28767
87 4IEE AGS 0.001061 0.44941 3.28767
88 5GOE GDP 0.0003106 0.44399 3.28767
89 1XKV ATP 0.0004795 0.43528 3.28767
90 4GID 0GH 0.04399 0.43446 3.35052
91 2KIN ADP 0.0003074 0.43184 3.36134
92 2C04 GCP 0.00002139 0.46565 3.367
93 1U0J ADP 0.01085 0.40135 3.37079
94 1GWN GTP 0.005464 0.43115 3.41463
95 5MEX SZZ 0.0183 0.42452 3.41615
96 5MEX PAP 0.00681 0.42452 3.41615
97 1KO8 6PG 0.0001879 0.50165 3.42857
98 3CNL GNP 0.001573 0.44128 3.43511
99 4WZA ADP 0.006106 0.46725 3.56164
100 4WZA ACP 0.006106 0.46725 3.56164
101 3WYA GDP 0.002093 0.4267 3.56164
102 5G41 AP5 0.007768 0.45115 3.58744
103 3PQC GDP 0.001374 0.41784 3.58974
104 2RCN GDP 0.000859 0.4438 3.63128
105 4MKG AP5 0.01273 0.43492 3.68664
106 2OZE AGS 0.0005384 0.41363 3.69128
107 5UQW GDP 0.002548 0.4531 3.7037
108 1JI0 ATP 0.001725 0.44506 3.75
109 4TMK T5A 0.001555 0.47611 3.75587
110 3RWO GDP 0.001437 0.46737 3.78378
111 3H86 AP5 0.003035 0.46223 3.83562
112 4ZKD GDP 0.002209 0.45953 3.83562
113 3EZ2 ADP 0.003334 0.42577 3.83562
114 1D8C GLV 0.01374 0.41242 3.83562
115 1P7T PYR 0.01579 0.40949 3.83562
116 3A4M ADP 0.0002029 0.49046 3.84615
117 1KY3 GDP 0.0007518 0.46731 3.84615
118 2BCG GDP 0.0006351 0.40788 3.8835
119 1PUJ GNP 0.002608 0.4409 3.90071
120 1RYH GNP 0.002123 0.44294 3.94089
121 1KQN NAD 0.03927 0.40271 3.94265
122 4BQS K2Q 0.002583 0.46713 3.97727
123 4BQS ADP 0.000814 0.44525 3.97727
124 5TB5 GDP 0.00224 0.44181 4
125 5L3V GDP 0.0000597 0.47264 4.01338
126 1F9V ADP 0.0002514 0.4609 4.03458
127 5TAR GDP 0.001469 0.40971 4.05405
128 5XCO GDP 0.001283 0.45596 4.09357
129 1J99 AND 0.01248 0.42892 4.09556
130 1W0J ADP 0.001886 0.44779 4.10959
131 1W0J ADP BEF 0.005068 0.43088 4.10959
132 1SKQ GDP 0.005114 0.41692 4.10959
133 1G41 ADP 0.002976 0.40691 4.10959
134 4ZBY URA 0.01098 0.41761 4.12371
135 1VHT BA3 0.00009476 0.46147 4.12844
136 4WZ6 ATP 0.0005193 0.47464 4.13793
137 3Q85 GNP 0.0005282 0.45342 4.14201
138 1CLU DBG 0.003974 0.46389 4.21687
139 1G3Q ADP 0.0007962 0.43825 4.21941
140 4GOJ GNP 0.002991 0.44606 4.2328
141 4QRH 0O2 0.006278 0.42815 4.28571
142 1MH1 GNP 0.005094 0.44104 4.30108
143 1VG1 GDP 0.0007234 0.46304 4.32432
144 2OFW ADX 0.001614 0.48143 4.32692
145 2ZPA ADP 0.0001492 0.50659 4.38356
146 2C77 GNP 0.002354 0.44936 4.38356
147 4RD0 GDP 0.003262 0.44418 4.38356
148 5FTB ANP 0.000432 0.44074 4.38356
149 3VMF GTP 0.006214 0.43512 4.38356
150 1MKY GDP 0.00244 0.43497 4.38356
151 1Z6T ADP 0.0006652 0.41432 4.38356
152 5FHD ADP ALF 0.0005089 0.40387 4.38356
153 1FZQ GDP 0.002036 0.42708 4.41989
154 3BFV ADP 0.00008417 0.48928 4.42804
155 2PEZ GGZ 0.002121 0.46775 4.46927
156 2PEZ DAT 0.002121 0.46775 4.46927
157 3GJ3 GDP 0.0009704 0.45415 4.52489
158 3GJ4 GDP 0.0009298 0.44183 4.52489
159 3GJ8 GDP 0.0008447 0.43387 4.52489
160 3GJ5 GDP 0.0009575 0.43171 4.52489
161 1P9B GDP 0.0004615 0.41794 4.52489
162 2PZ8 APC 0.02132 0.40326 4.57746
163 1SVK ALF GDP 0.004469 0.44829 4.65753
164 5I0H ADP BEF 0.002797 0.44563 4.65753
165 1D8T GDP 0.00183 0.44096 4.65753
166 5JBQ GDP 0.001865 0.44056 4.65753
167 3U6B GDP 0.002378 0.43274 4.65753
168 4P3Y GDP 0.002511 0.43162 4.65753
169 4G5G GDP 0.00229 0.42509 4.65753
170 3U6K GDP 0.003087 0.41972 4.65753
171 1I4D GDP 0.006582 0.41171 4.6875
172 2A5J GDP 0.0006563 0.4304 4.71204
173 2WJG GDP 0.003702 0.41599 4.78723
174 4JLV ADP 0.0006285 0.4602 4.83271
175 4E03 ADP 0.00002016 0.5026 4.85437
176 2ODE ALF GDP 0.004909 0.44479 4.85714
177 1Y63 ADP 0.0005569 0.45265 4.8913
178 4PJ3 ANP 0.00005819 0.46723 4.93151
179 3COB ADP 0.0004566 0.43652 4.93151
180 1YRB GDP 0.001101 0.41302 4.96183
181 3Q9L ATP 0.001956 0.42108 5
182 1YZG GDP 0.001158 0.45318 5.02793
183 5JCZ GDP 0.0008505 0.40309 5.02793
184 4V03 ADP 0.00199 0.44431 5.05837
185 4MKF AP5 0.006846 0.45027 5.06912
186 2HCJ GDP 0.003179 0.42675 5.07463
187 5EP2 AZU 0.003043 0.44381 5.07812
188 4LX0 BEF GDP 0.001472 0.4685 5.08475
189 1OXV ANP 0.001075 0.44913 5.09915
190 1Z0A GDP 0.0004521 0.43746 5.17241
191 2J0V GDP 0.002882 0.43407 5.18868
192 4C4P GNP 0.001146 0.47403 5.20231
193 2AWN ADP 0.000106 0.50961 5.20548
194 2BME GNP 0.000944 0.47663 5.20548
195 4ZG4 VO4 ADP 0.0008255 0.47594 5.20548
196 1VG9 GDP 0.0009088 0.45826 5.20548
197 2FJU GSP 0.004138 0.43716 5.20548
198 3AB3 GDP 0.003208 0.44267 5.28455
199 4U00 ADP 0.0002147 0.43559 5.32787
200 3CPJ GDP 0.0007381 0.4677 5.38117
201 5K5Z ANP 0.001155 0.47043 5.41401
202 2WJH GDP 0.0008911 0.45867 5.42169
203 2WJH FLC 0.001439 0.45115 5.42169
204 4PPF FLC 0.0001261 0.51381 5.42857
205 2EW1 GNP 0.0009942 0.47189 5.47264
206 2NCD ADP 0.0009315 0.45981 5.47945
207 1GXU 2HP 0.0000479 0.53126 5.49451
208 5MVR ADP 0.002725 0.43268 5.55556
209 1DS6 GDP 0.00301 0.43061 5.55556
210 2WIC GNP 0.001168 0.42862 5.61798
211 2PZE ATP 0.0002477 0.44557 5.67686
212 3ZFD ANP 0.0009346 0.46025 5.69801
213 2VVG ADP 0.0003861 0.42709 5.75342
214 1S8F GDP 0.001558 0.4168 5.75342
215 2X7I CIT 0.003296 0.41573 5.75342
216 2C9O ADP 0.0005498 0.40393 5.75342
217 1OIX GDP 0.001788 0.46257 5.75916
218 1OIV GDP 0.001921 0.46099 5.75916
219 1ION ADP 0.0007141 0.43245 5.76132
220 3A1S GDP 0.003583 0.40873 5.81395
221 4QM7 GTP 0.0004905 0.45319 5.84795
222 1RE0 GDP 0.00184 0.43805 5.88235
223 2OG2 MLI 0.00001497 0.56942 6.0274
224 3IO3 ADP 0.0006412 0.4753 6.0274
225 5IRN ADP 0.0006463 0.47052 6.0274
226 5UWS GNP 0.002216 0.46103 6.0274
227 5UWU GNP 0.002318 0.45847 6.0274
228 5UWT GNP 0.002358 0.45809 6.0274
229 5DI9 GNP 0.002591 0.45756 6.0274
230 5UWI GNP 0.002668 0.45536 6.0274
231 3WYF GTP 0.003719 0.44952 6.0274
232 1WDT GTP 0.0002731 0.41892 6.0274
233 2VF7 ADP 0.002517 0.41397 6.0274
234 4BAS GNP 0.0009793 0.4703 6.03015
235 3T5G GDP 0.003406 0.43296 6.07735
236 4RZ3 ADP 0.001245 0.45888 6.1017
237 1XTQ GDP 0.005059 0.43638 6.21469
238 2IS6 ADP 0.00006354 0.4956 6.30137
239 5M7P ADP 0.0003827 0.48638 6.30137
240 5BQ5 ADP BEF 0.002816 0.40784 6.34921
241 4QOS ADP 0.0004201 0.43744 6.41509
242 3UIE ANP 0.0003682 0.4382 6.5
243 5L3W GDP 0.0001687 0.49634 6.53595
244 4KVG GTP 0.002462 0.45552 6.54762
245 4ZNL BEF ADP 0.00005942 0.51537 6.56934
246 2WHX ADP 0.000834 0.46521 6.57534
247 3X1Z GNP 0.003298 0.4522 6.58683
248 1T5C ADP 0.0005656 0.46828 6.59026
249 1W7J ADP BEF 0.001317 0.40461 6.62252
250 5L3S GNP 0.00013 0.51828 6.75676
251 4YLG GDP 0.001998 0.44878 6.84932
252 1ZJ6 G3D 0.001553 0.42383 6.95187
253 4PC3 GDP 0.002344 0.40448 7.0922
254 1KK1 GNP 0.002162 0.43472 7.12329
255 5H56 TYD 0.002183 0.46432 7.17949
256 5H56 ADP 0.002183 0.46432 7.17949
257 2W2X GSP 0.001487 0.45928 7.25806
258 1Z0F GDP 0.0008637 0.43514 7.26257
259 3B9Q MLI 0.00008706 0.52533 7.28477
260 1TQ4 GDP 0.00009853 0.43448 7.39726
261 3B5J 12D 0.001561 0.44719 7.40741
262 4DKX GDP 0.002658 0.42216 7.40741
263 4D0G GTP 0.001715 0.45814 7.42857
264 4TTQ ATP 0.00004497 0.50017 7.44186
265 5L3R GCP 0.0000524 0.41784 7.50853
266 3DC4 ADP 0.001481 0.44829 7.55814
267 4PFO ADP 0.00184 0.46194 7.67123
268 2VB6 ADP BEF 0.00229 0.45369 7.67123
269 3GJX GTP 0.003024 0.45259 7.67123
270 4KAX GTP 0.002398 0.45086 7.69231
271 1D2N ANP 0.0002836 0.41185 7.72059
272 5SZH GNP 0.001313 0.47103 7.84314
273 3SFV GDP 0.001713 0.45622 7.84884
274 3TK1 GDP 0.0007366 0.46311 7.87879
275 3LN9 FLC 0.01321 0.42575 7.91367
276 5I34 GDP 0.0002155 0.4884 7.94521
277 1G7C 5GP 0.0007273 0.44611 7.94521
278 3DEF GDP 0.0007303 0.42139 8.01527
279 4R2I ANP 0.009712 0.40834 8.09524
280 5WDR GNP 0.003075 0.45222 8.18713
281 2F3R G5P 0.01182 0.42896 8.21256
282 5XDR ADP 0.001663 0.42206 8.21918
283 4HI0 GDP 0.0006886 0.40267 8.26772
284 2QZ4 ADP 0.001773 0.41438 8.39695
285 1NJF ADP 0.001059 0.46453 8.4
286 1NJF AGS 0.001914 0.45576 8.4
287 1M2O GNP 0.004075 0.44442 8.42105
288 5X40 ACP 0.006605 0.43055 8.56164
289 3AQ4 GDP 0.001407 0.42614 8.69565
290 4A4Z ANP 0.000006465 0.54018 8.76712
291 5GRF ADP 0.00869 0.43064 9.03955
292 3TBK ANP 0.00006301 0.51525 9.0411
293 3RC3 ANP 0.008743 0.40583 9.0411
294 5VGR GDP 0.0002449 0.43376 9.31507
295 2FFQ GSP 0.003544 0.44908 9.35672
296 5N69 ADP 0.0003704 0.43428 9.54774
297 4YS0 ADP 0.00002359 0.47189 9.58904
298 1DAR GDP 0.001139 0.43836 9.58904
299 3T1O GDP 0.005872 0.42146 9.59596
300 1KSH GDP 0.001992 0.45297 9.67742
301 4R98 GNH 0.003631 0.4267 9.9631
302 5KUT GDP 0.001686 0.44532 10.0529
303 2XAU ADP 0.001741 0.44713 10.137
304 4DID GDP 0.002011 0.42087 10.3627
305 2W58 ADP 0.00007522 0.51893 10.396
306 4ITR GDP 0.001894 0.45204 10.4712
307 4ITM ATP 0.009313 0.42618 10.4762
308 1VKJ A3P 0.001578 0.458 10.5263
309 2CBZ ATP 0.0001843 0.50013 10.5485
310 2UZI GTP 0.001835 0.462 10.5769
311 1LVG ADP 0.0001151 0.48607 10.6061
312 2OBM ADP 0.0004731 0.4784 10.6628
313 3WXM GTP 0.008496 0.42821 10.6849
314 4Q1A UDP 0.04129 0.44927 10.7143
315 4Q1A 2XZ 0.04129 0.44927 10.7143
316 4YMU ATP 0.0005528 0.46285 10.9091
317 1NHX FTB 0.002666 0.47516 10.9589
318 1NHX PEP 0.002816 0.47289 10.9589
319 4YC7 GNP 0.00501 0.43485 11.0497
320 5H67 ATP 0.006019 0.41862 11.0553
321 3IIJ ADP 0.0005669 0.45203 11.1111
322 3GJ7 GDP 0.0008656 0.44322 11.2245
323 4P4T GDP 0.0007384 0.40777 11.3889
324 5UFQ GNP 0.001266 0.47017 11.4754
325 4CVN ADP 0.000654 0.46564 11.5183
326 3KTA AP5 0.001997 0.40641 11.5385
327 4XVU ATP 0.001644 0.46091 11.5819
328 4XTR ADP 0.001328 0.45966 11.5819
329 4XTR ATP 0.001741 0.45966 11.5819
330 2GK6 ADP 0.0004993 0.47136 11.7808
331 3KJI ADP 0.001559 0.45182 11.811
332 4ZI2 GNP 0.003243 0.4443 12.0301
333 2ZR9 DTP 0.002892 0.41964 12.6074
334 1G6H ADP 0.0002772 0.49066 12.8405
335 2QN6 GDP 0.004124 0.42138 12.9032
336 3P4X ADP 0.00000665 0.55402 13.4247
337 3CH5 GDP 0.001654 0.42252 13.4615
338 1B7T ADP 0.001878 0.41386 13.4615
339 1OFH ADP 0.004297 0.42806 13.871
340 1VG8 GNP 0.001016 0.4767 14.0097
341 1VG0 GDP 0.001215 0.45712 14.0097
342 5LB3 ADP 0.00000072 0.59986 14.2466
343 3TNF GNP 0.001223 0.47422 14.3678
344 1OYY AGS 0.000003484 0.55283 14.5205
345 3ZIA ATP 0.001774 0.42159 14.7541
346 5HCN GCP 0.0002005 0.45879 14.9425
347 1KK8 BEF ADP 0.001204 0.4082 15.1079
348 1S9D GDP 0.001485 0.42512 15.2709
349 3QF7 ANP 0.004795 0.43207 16
350 3FB4 AP5 0.004159 0.46076 16.2037
351 3M1I GTP 0.00304 0.45247 16.2304
352 2QTV GNP 0.003472 0.44631 16.3265
353 2A9K GDP 0.001851 0.45042 16.5775
354 2D7D ADP 0.0000876 0.50414 17.5342
355 2V7Q ADP 0.002784 0.42222 18.4932
356 2V7Q ATP 0.001674 0.41513 18.4932
357 5EE5 GTP 0.0006853 0.47805 18.7134
358 3WY9 GDP 0.004251 0.42075 18.75
359 1JJ7 ADP 0.0002435 0.49208 19.2308
360 4YDS ATP 0.001231 0.45223 19.2982
361 1JJV ATP 0.00002061 0.54436 19.9029
362 1HTW ADP 0.002339 0.43845 22.1519
363 5UWR GNP 0.002568 0.4562 22.2222
364 2GCN GDP 0.004424 0.43755 22.3881
365 3W5J GDP 0.0002465 0.49362 23.5294
366 4D0N GDP 0.001675 0.4428 24.3243
367 5HPY GDP 0.005722 0.42628 24.3243
368 4XOI GTP 0.007916 0.42821 25
369 4XSH GSP 0.003449 0.43916 25.1397
370 1ZC3 GNP 0.002118 0.46046 25.6637
371 5LTJ ADP 0.001396 0.44927 27.3973
372 4CO3 ATP 0.0314 0.40189 27.6786
373 2Y65 ADP 0.0008636 0.42597 35
374 5UWP GNP 0.002422 0.45905 36.8421
375 4PX9 ADP 0.0000000385 0.66026 40.411
376 2ZJ5 ADP 0.0000007696 0.61467 41.3699
377 3DKP ADP 0.00000000001578 0.7883 47.3469
378 2PL3 ADP 0.00000000123 0.73127 47.4576
379 3BER AMP 0.00000000176 0.69807 47.7912
380 3B7G ANP 0.0000000006775 0.69193 48.2609
381 5GVR LMR 0.00001067 0.42552 48.2906
Pocket No.: 2; Query (leader) PDB : 4KBF; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4kbf.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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