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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 253 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 209 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 24 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 5GVR - LMR C4 H6 O5 C([C@@H](C....
3 3B7G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
5 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
6 3DKP - ADP C10 H15 N5 O10 P2 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: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 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 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 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 with APoc: 641
This union binding pocket(no: 1) in the query (biounit: 4kbf.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZCB GDP None
2 1YZN GNP 1.08108
3 5KSZ GCP 1.09589
4 2BEK ATP 1.16732
5 2CJW GDP 1.5625
6 5CK5 GDP 1.58228
7 5HR5 ADP 1.64384
8 1D2E GDP 1.64384
9 5Y6N ADP 1.64384
10 4AUT FAD 1.64384
11 5YT0 GDP 1.64835
12 1MR3 G3D 1.65746
13 2HT6 GDP 1.72414
14 2O0J ADP 1.81818
15 6A20 ADP 1.91781
16 3DZD ADP 1.91781
17 4XGU ADP 1.91781
18 4HSE ADP 1.91781
19 1V8K ANP 1.91781
20 4H1V GNP 1.91781
21 1NY5 ADP 1.91781
22 4DCT GDP 1.91781
23 1FNN ADP 1.91781
24 4P8K 38C 1.91781
25 4P8K FAD 1.91781
26 5ZBR ANP 1.91781
27 1N1G BCP 1.91781
28 4B47 GDP 1.92837
29 4UTG ANP 2.02312
30 2MBR EPU 2.05882
31 2MBR FAD 2.05882
32 4LPS GDP 2.06612
33 4NE2 SH2 2.09581
34 4NE2 ADP 2.09581
35 4D81 ADP 2.12014
36 3EWA ANP 2.17391
37 2DPY ADP 2.19178
38 4FRZ ADP 2.19178
39 4IHQ ADP 2.19178
40 2Q2Y MKR 2.19178
41 2Q2Y ADP 2.19178
42 1P72 ADP 2.19178
43 4LYA ATP 2.19178
44 3CV2 OXL 2.19178
45 4U8P UDP 2.19178
46 3MGB PAP 2.19436
47 4M9Q GNP 2.20264
48 1SQ5 ADP 2.27273
49 1UPT GTP 2.33918
50 1Z08 GNP 2.35294
51 6BYF CIT 2.35294
52 1AQU A3P 2.3569
53 1M7G ADX 2.36967
54 1M7G AV2 2.36967
55 1M7G ADP 2.36967
56 5FG3 GDP 2.4077
57 3E70 GDP 2.43902
58 1BG2 ADP 2.46154
59 1Q19 SSC 2.46575
60 5MZN ADP 2.46575
61 2ZE7 DST 2.46575
62 2ZE7 AMP 2.46575
63 2ZFI ADP 2.46575
64 1YTM ATP 2.46575
65 2FAH GDP 2.46575
66 1Q19 APC 2.46575
67 1OJ4 ANP 2.4735
68 3QXC ATP 2.47934
69 5WRI A3P 2.5
70 2FNA ADP 2.52101
71 1F6B GDP 2.52525
72 1XMV ADP 2.52809
73 5IFS ADP 2.53165
74 2G86 UMP 2.53165
75 2C6Q NDP 2.5641
76 1QF9 ADP 2.57732
77 1QF9 C5P 2.57732
78 1QF9 ALF 2.57732
79 3NHB ADP 2.61438
80 2EFE GNH 2.62172
81 5KSP GDP 2.63158
82 5WRJ A3P 2.64026
83 5H68 AGS 2.64706
84 2HF9 GSP 2.65487
85 1RRC ADP 2.65781
86 2B8T THM 2.69058
87 4NON GDP 2.69231
88 1H74 ADP 2.7027
89 1E2K TMC 2.71903
90 1G3M A3P 2.72109
91 1G3M PCQ 2.72109
92 5TSH ADP 2.73973
93 5TSH ANP 2.73973
94 1OS1 ATP 2.73973
95 1OS1 PYR 2.73973
96 4IOK ADP 2.73973
97 4IOK XPO 2.73973
98 1NST A3P 2.76923
99 1NN5 ANP 2.7907
100 1NN5 2DT 2.7907
101 4X8O AP5 2.80374
102 1GOJ ADP 2.8169
103 3NKV GNP 2.85714
104 2A5F GTP 2.85714
105 3FWY ADP 2.86624
106 3BOS CDP 2.89256
107 2XT3 ADP 2.90698
108 3NOJ PYR 2.94118
109 1UKZ ADP 2.95567
110 5Z69 AGS 2.95699
111 3H4S ADP 2.96296
112 3A7R LAQ 2.96736
113 2ORV 4TA 2.99145
114 3Q72 GNP 3.01205
115 2WKQ GTP 3.01205
116 2FSH ANP 3.0137
117 1QF5 RPL 3.0137
118 1QF5 GDP 3.0137
119 1IHU ADP 3.0137
120 1IHU AF3 3.0137
121 5AK0 8V1 3.0137
122 5BN3 ADP 3.0137
123 1K6M AGS 3.0137
124 2BIF SIN 3.0137
125 2BIF ANP 3.0137
126 4J0Q GDP 3.0137
127 2CE7 ADP 3.0137
128 1OE0 TTP 3.04348
129 2ZPT A3P 3.05085
130 1B0U ATP 3.05344
131 5M04 GDP 3.05556
132 1Z83 AP5 3.06122
133 1D5C GDP 3.08642
134 3PCR GTP 3.08642
135 3N5C GDP 3.08642
136 3LRE ADP 3.09859
137 3OID NDP 3.10078
138 4WOP CTP 3.11111
139 1FP6 ADP 3.11419
140 1DAK DPU 3.125
141 1DAK ADP 3.125
142 1R0X ATP 3.14685
143 5J1J ANP 3.15789
144 2IYL GDP 3.16901
145 2X77 GDP 3.1746
146 5IRR GSP 3.24675
147 2ZEJ GDP 3.26087
148 1CR1 TTP 3.28767
149 5ZXD ATP 3.28767
150 4IEE AGS 3.28767
151 5GOE GDP 3.28767
152 1XKV ATP 3.28767
153 1W5T ANP 3.28767
154 6AU6 GDP 3.28767
155 1PVN MZP 3.28767
156 2GKS ADP 3.28767
157 1W5T ADP 3.28767
158 4R43 GDP 3.28767
159 1IN4 ADP 3.29341
160 1RJ9 GCP 3.33333
161 1Q20 PLO 3.34448
162 1Q20 A3P 3.34448
163 4GID 0GH 3.35052
164 2KIN ADP 3.36134
165 1U0J ADP 3.37079
166 3BFX A3P 3.37838
167 1GWN GTP 3.41463
168 5MEX PAP 3.41615
169 1X8J A3P 3.4188
170 1KO8 6PG 3.42857
171 3CNL GNP 3.43511
172 1IWE IMP 3.56164
173 4WZA ADP 3.56164
174 4WZA ACP 3.56164
175 2R42 FPS 3.56164
176 3WYA GDP 3.56164
177 5H7J GCP 3.56164
178 5H7K GDP 3.56164
179 3G5S FAD 3.56164
180 5G41 AP5 3.58744
181 3PQC GDP 3.58974
182 2RCN GDP 3.63128
183 4MKG AP5 3.68664
184 2OZE AGS 3.69128
185 5UQW GDP 3.7037
186 5OCG GNP 3.7037
187 3SBD GNP 3.74332
188 1JI0 ATP 3.75
189 4TMK T5A 3.75587
190 3RWO GDP 3.78378
191 2QQ0 ADP 3.80435
192 2QQ0 TMP 3.80435
193 2QQ0 THM 3.80435
194 2QQ0 ANP 3.80435
195 1M7B GTP 3.80435
196 4KVA GTP 3.83562
197 1X6V ADP 3.83562
198 4ZKD GDP 3.83562
199 3H86 AP5 3.83562
200 3EZ2 ADP 3.83562
201 1SVM ATP 3.83562
202 1D8C GLV 3.83562
203 1P7T PYR 3.83562
204 3A4M ADP 3.84615
205 1KY3 GDP 3.84615
206 2BCG GDP 3.8835
207 1PUJ GNP 3.90071
208 2JAQ DCP 3.90244
209 1RYH GNP 3.94089
210 1KQN NAD 3.94265
211 4BQS K2Q 3.97727
212 4BQS ADP 3.97727
213 2CDN ADP 3.9801
214 5TB5 GDP 4
215 5L3V GDP 4.01338
216 1F9V ADP 4.03458
217 3GD8 GOL 4.03587
218 5TAR GDP 4.05405
219 2V2V V12 4.05904
220 1J99 AND 4.09556
221 1W0J ADP BEF 4.10959
222 1SKQ GDP 4.10959
223 1G41 ADP 4.10959
224 1W0J ADP 4.10959
225 1VHT BA3 4.12844
226 4WZ6 ATP 4.13793
227 3Q85 GNP 4.14201
228 2JJK R15 4.14201
229 3FVQ ATP 4.17827
230 1CLU DBG 4.21687
231 3DDC GNP 4.21687
232 1G3Q ADP 4.21941
233 5EXT ADP 4.23077
234 4GOJ GNP 4.2328
235 4QRH 0O2 4.28571
236 1HSK FAD 4.29448
237 1MH1 GNP 4.30108
238 1VG1 GDP 4.32432
239 2OFW ADX 4.32692
240 4UXH T5A 4.34783
241 5OEC GDP 4.37158
242 5FHD ADP ALF 4.38356
243 2C78 GNP 4.38356
244 2C77 GNP 4.38356
245 4RD0 GDP 4.38356
246 5FTB ANP 4.38356
247 3VMF GTP 4.38356
248 1MKY GDP 4.38356
249 2ZPA ADP 4.38356
250 1Z6T ADP 4.38356
251 1FZQ GDP 4.41989
252 3BFV ADP 4.42804
253 3CX8 GSP 4.4335
254 2PEZ GGZ 4.46927
255 2PEZ DAT 4.46927
256 1P9B GDP 4.52489
257 3GJ8 GDP 4.52489
258 3GJ4 GDP 4.52489
259 3GJ3 GDP 4.52489
260 3GJ5 GDP 4.52489
261 2PZ8 APC 4.57746
262 5WC2 ADP 4.62963
263 2RGX AP5 4.65753
264 1SVK ALF GDP 4.65753
265 5I0H ADP BEF 4.65753
266 4ZDJ UTP 4.65753
267 2BVN GNP 4.65753
268 4G5G GDP 4.65753
269 2A2C ADP 4.65753
270 2A2C NG1 4.65753
271 3U6B GDP 4.65753
272 4P3Y GDP 4.65753
273 1D8T GDP 4.65753
274 5JBQ GDP 4.65753
275 5W76 GDP 4.65753
276 5W7Q GDP 4.65753
277 3U6K GDP 4.65753
278 5W75 GDP 4.65753
279 1I4D GDP 4.6875
280 1EK0 GNP 4.70588
281 2A5J GDP 4.71204
282 5TIV A3P 4.74308
283 3QVV A3P 4.74576
284 3QVV 3QV 4.74576
285 2YOH WMJ 4.7619
286 2WJG GDP 4.78723
287 1KAO GDP 4.79042
288 4JLV ADP 4.83271
289 4E03 ADP 4.85437
290 2ODE ALF GDP 4.85714
291 5G3Y ADP 4.86726
292 1Y63 ADP 4.8913
293 1G4U GDP 4.8913
294 4PJ3 ANP 4.93151
295 3COB ADP 4.93151
296 1J2J GTP 4.93151
297 1O3Y GTP 4.93151
298 4NCN GTP 4.93151
299 2WHP HI6 4.93151
300 1YRB GDP 4.96183
301 3Q9L ATP 5
302 5JCZ GDP 5.02793
303 1YZG GDP 5.02793
304 5ZB0 TYD 5.05051
305 5ZB0 ADP 5.05051
306 4V03 ADP 5.05837
307 1ZIN AP5 5.06912
308 4MKF AP5 5.06912
309 2HCJ GDP 5.07463
310 5EP2 AZU 5.07812
311 4LX0 BEF GDP 5.08475
312 1OXV ANP 5.09915
313 5J5R 6G1 5.14139
314 5J5R IMP 5.14139
315 1Y3A GDP 5.16717
316 1Z0A GDP 5.17241
317 2J0V GDP 5.18868
318 4C4P GNP 5.20231
319 2AWN ADP 5.20548
320 2BME GNP 5.20548
321 4ZG4 VO4 ADP 5.20548
322 2FJU GSP 5.20548
323 1VG9 GDP 5.20548
324 4TMZ GSP 5.21739
325 2OM2 GDP 5.23077
326 1Z0K GTP 5.23256
327 1TU3 GNP 5.26316
328 6CS8 F9Y 5.28053
329 3AB3 GDP 5.28455
330 1R2Q GNP 5.29412
331 4U00 ADP 5.32787
332 3MJH GTP 5.35714
333 3CPJ GDP 5.38117
334 1BH2 GSP 5.39683
335 5K5Z ANP 5.41401
336 2WJH GDP 5.42169
337 2WJH FLC 5.42169
338 4PPF FLC 5.42857
339 2EW1 GNP 5.47264
340 2NCD ADP 5.47945
341 1GXU 2HP 5.49451
342 4TL6 ANP 5.5336
343 1H65 GDP 5.55556
344 5MVR ADP 5.55556
345 1DS6 GDP 5.55556
346 1X1R GDP 5.61798
347 2WIC GNP 5.61798
348 2XTZ GSP 5.64972
349 4BFW ZVW 5.66038
350 2PZE ATP 5.67686
351 1WA5 GTP 5.68182
352 3ZFD ANP 5.69801
353 2VVG ADP 5.75342
354 2X7I CIT 5.75342
355 3RLF ANP 5.75342
356 6B8B ADP 5.75342
357 1S8F GDP 5.75342
358 1G7S GDP 5.75342
359 2C9O ADP 5.75342
360 1OIV GDP 5.75916
361 1OIX GDP 5.75916
362 1ION ADP 5.76132
363 3A1S GDP 5.81395
364 4QM7 GTP 5.84795
365 1RE0 GDP 5.88235
366 1HE1 GDP 5.92593
367 4JD3 COA 5.94901
368 1S3G AP5 5.99078
369 4NU0 AP5 5.99078
370 5XKT GNP 6
371 2OG2 MLI 6.0274
372 5IRN ADP 6.0274
373 5UWO GNP 6.0274
374 5DHF GNP 6.0274
375 5UWH GNP 6.0274
376 5UWS GNP 6.0274
377 6CIT GNP 6.0274
378 5UWU GNP 6.0274
379 5UWW GNP 6.0274
380 5UWT GNP 6.0274
381 5DI9 GNP 6.0274
382 5DIF GNP 6.0274
383 5UWI GNP 6.0274
384 5UWJ GNP 6.0274
385 3WYF GTP 6.0274
386 1WDT GTP 6.0274
387 3IO3 ADP 6.0274
388 4BAS GNP 6.03015
389 2F9L GDP 6.03015
390 3T5G GDP 6.07735
391 4RZ3 ADP 6.1017
392 4U5X GNP 6.17978
393 6BSX E7S 6.17978
394 6BSX GDP 6.17978
395 2I3G NAP 6.25
396 3B8I OXL 6.27178
397 2IS6 ADP 6.30137
398 1W4R TTP 6.30137
399 5M7P ADP 6.30137
400 2HIM ASP 6.30137
401 5BQ5 ADP BEF 6.34921
402 1ZD9 GDP 6.38298
403 4QOS ADP 6.41509
404 1NRJ GTP 6.42202
405 3BD9 A3P 6.42857
406 3UIE ANP 6.5
407 5L3W GDP 6.53595
408 4KVG GTP 6.54762
409 5BYK A3P 6.56371
410 5BYK OAQ 6.56371
411 4ZNL BEF ADP 6.56934
412 1ZRH A3P 6.56934
413 2WHX ADP 6.57534
414 4O0L NDP 6.57534
415 3X1Z GNP 6.58683
416 4HDO GNP 6.58683
417 4HDQ GNP 6.58683
418 1T5C ADP 6.59026
419 1W7J ADP BEF 6.62252
420 5KDO GDP 6.75676
421 5L3S GNP 6.75676
422 5U32 GDP 6.77966
423 1F5N GNP 6.84932
424 4YLG GDP 6.84932
425 4IDN GNP 6.84932
426 1ZJ6 G3D 6.95187
427 4OI4 ATP 6.95652
428 1CS4 GSP 7.07547
429 4PC3 GDP 7.0922
430 2VWT PYR 7.11611
431 1KK1 GNP 7.12329
432 2ZTS ADP 7.17131
433 1ORR NAD 7.20461
434 2W2X GSP 7.25806
435 1Z0F GDP 7.26257
436 3B9Q MLI 7.28477
437 3E5H GNP 7.30337
438 3QKT ANP 7.37463
439 1TQ4 GDP 7.39726
440 6FAA ADP 7.39726
441 3B5J 12D 7.40741
442 4DKX GDP 7.40741
443 4D0G GTP 7.42857
444 4TTQ ATP 7.44186
445 5L3R GCP 7.50853
446 3DC4 ADP 7.55814
447 2FH5 GTP 7.56757
448 4GOX A3P 7.66773
449 4PFO ADP 7.67123
450 4HAT GNP 7.67123
451 2VB6 ADP BEF 7.67123
452 3GJX GTP 7.67123
453 2JLR ANP 7.67123
454 4KAX GTP 7.69231
455 1D2N ANP 7.72059
456 1AKY AP5 7.72727
457 1Z2A GDP 7.7381
458 3FYH ADP 7.76398
459 5SZH GNP 7.84314
460 3SFV GDP 7.84884
461 3TK1 GDP 7.87879
462 3WYG GTP 7.89474
463 3LN9 FLC 7.91367
464 1G7C 5GP 7.94521
465 5I34 GDP 7.94521
466 2CHG ANP 7.9646
467 3DEF GDP 8.01527
468 2QG6 NMN 8.0402
469 4R2I ANP 8.09524
470 5WDR GNP 8.18713
471 2F3R G5P 8.21256
472 5XDR ADP 8.21918
473 4HI0 GDP 8.26772
474 5UIV ADP 8.37004
475 5LEF GTP 8.37696
476 2Y8E GNP 8.37989
477 2QZ4 ADP 8.39695
478 1NJF AGS 8.4
479 1NJF ADP 8.4
480 1M2O GNP 8.42105
481 1LVK MNT BEF 8.49315
482 5O2T GSP 8.55615
483 5X40 ACP 8.56164
484 3AQ4 GDP 8.69565
485 4NBT NAD 8.75
486 4A4Z ANP 8.76712
487 4OHY ANP 8.76712
488 3FKQ ATP 8.76712
489 5YVT NAI 8.76712
490 3TBK ANP 9.0411
491 3RC3 ANP 9.0411
492 4K81 GTP 9.30233
493 5VGR GDP 9.31507
494 5FUW QBT 9.34066
495 5FUW THM 9.34066
496 2FFQ GSP 9.35672
497 1E96 GTP 9.35961
498 3DOE GTP 9.375
499 1YZQ GNP 9.41177
500 5N69 ADP 9.54774
501 4YS0 ADP 9.58904
502 1DAR GDP 9.58904
503 3T12 GDP ALF 9.59596
504 3T1O GDP 9.59596
505 1KSH GDP 9.67742
506 3V2U ATP 9.86301
507 4R98 GNH 9.9631
508 5KUT GDP 10.0529
509 3TKL GTP 10.1124
510 6C90 ADP 10.137
511 2XAU ADP 10.137
512 5DI3 GNP 10.2703
513 4DID GDP 10.3627
514 2W58 ADP 10.396
515 4ITR GDP 10.4712
516 4ITM ATP 10.4762
517 2WMO GTP 10.5263
518 1VKJ A3P 10.5263
519 2CBZ ATP 10.5485
520 2UZI GTP 10.5769
521 1Z0J GTP 10.5882
522 1G16 GDP 10.5882
523 1LVG ADP 10.6061
524 1YVD GNP 10.6509
525 5O74 GDP 10.6599
526 2OBM ADP 10.6628
527 3WXM GTP 10.6849
528 4Q1A 2XZ 10.7143
529 4Q1A UDP 10.7143
530 4YMU ATP 10.9091
531 1NHX FTB 10.9589
532 1NHX PEP 10.9589
533 2GMV UN8 10.9589
534 2GMV PEP 10.9589
535 3T34 GDP 10.9589
536 4YC7 GNP 11.0497
537 5H67 ATP 11.0553
538 3IIJ ADP 11.1111
539 1UJ2 ADP 11.1111
540 1UJ2 C5P 11.1111
541 2O66 FLC 11.1111
542 3GJ7 GDP 11.2245
543 6CRK GDP 11.2676
544 1ZUI SKM 11.3095
545 5E95 GDP 11.3402
546 4P4T GDP 11.3889
547 4CVN ADP 11.5183
548 1XEX ATP 11.5385
549 3KTA AP5 11.5385
550 4XVU ATP 11.5819
551 4XTR ATP 11.5819
552 4XTR ADP 11.5819
553 2WOJ ADP ALF 11.5819
554 2GK6 ADP 11.7808
555 3KJI ADP 11.811
556 1L2T ATP 11.9149
557 4ZI2 GNP 12.0301
558 4GBM A3P 12.0743
559 5JCP GDP ALF 12.3288
560 2Z5F A3P 12.4161
561 4V0K GDP 12.426
562 5J1S ATP 12.5523
563 1XX6 ADP 12.5654
564 2GWH A3P 12.6027
565 2ZR9 DTP 12.6074
566 1G6H ADP 12.8405
567 2QN6 GDP 12.9032
568 2J59 GTP 13.0952
569 3P4X ADP 13.4247
570 3CH5 GDP 13.4615
571 1B7T ADP 13.4615
572 5Z2M GTP 13.7681
573 1OFH ADP 13.871
574 1VG8 GNP 14.0097
575 1VG0 GDP 14.0097
576 5LB3 ADP 14.2466
577 2W83 GTP 14.2857
578 4LHW GNP 14.3678
579 3TNF GNP 14.3678
580 3QBT GNP 14.3678
581 1OYY AGS 14.5205
582 1T8U UAP SGN IDS SGN 14.7059
583 1T8U A3P 14.7059
584 3ZIA ADP 14.7541
585 3ZIA ATP 14.7541
586 3TMK T5A 14.8148
587 5HCN GCP 14.9425
588 1KK8 BEF ADP 15.1079
589 1S9D GDP 15.2709
590 3BC1 GNP 15.3846
591 3QF7 ANP 16
592 3FB4 AP5 16.2037
593 3M1I GTP 16.2304
594 2QTV GNP 16.3265
595 2A9K GDP 16.5775
596 2D7D ADP 17.5342
597 1F2U ATP 17.5676
598 1U8Z GDP 18.4524
599 2V7Q ATP 18.4932
600 2CK3 ADP 18.4932
601 2V7Q ADP 18.4932
602 2CK3 ANP 18.4932
603 5VHC BEF ADP 18.6301
604 5EE5 GTP 18.7134
605 3WY9 GDP 18.75
606 1JJ7 ADP 19.2308
607 4YDS ATP 19.2982
608 1R4A GNP 19.3939
609 1GUA GNP 19.7531
610 3KUD GDP 19.7531
611 1JJV ATP 19.9029
612 3ZS9 ADP ALF 21.0526
613 1HTW ADP 22.1519
614 5UWR GNP 22.2222
615 2GCO GNP 22.3881
616 2GCN GDP 22.3881
617 1FQJ GDP 23.1293
618 1Z06 GNP 23.2804
619 3W5J GDP 23.5294
620 6BC0 GSP 24.3243
621 6BCB GSP 24.3243
622 6BCA GSP 24.3243
623 4D0N GDP 24.3243
624 5HPY GDP 24.3243
625 3LXR GDP 24.3243
626 4XOI GTP 25
627 4XSH GSP 25.1397
628 1ZC3 GNP 25.6637
629 1UAD GNP 26.2626
630 5UWQ GNP 27.2727
631 2C5L GTP 27.3504
632 5LTJ ADP 27.3973
633 4CO3 ATP 27.6786
634 2Y65 ADP 35
635 3ZQ6 ADP ALF 35.8025
636 5UWP GNP 36.8421
637 5UPK GNP 37.5
638 4PX9 ADP 40.411
639 2ZJ5 ADP 41.3699
640 2PL3 ADP 47.4576
641 3BER AMP 47.7912
Pocket No.: 2; Query (leader) PDB : 4KBF; Ligand: AMP; Similar sites found with APoc: 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 Sequence Similarity
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