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Receptor
PDB id Resolution Class Description Source Keywords
3LF0 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ATP BOUND MYCOBACTERIUM TUBERCULOSI REGULATORY PII PROTEIN MYCOBACTERIUM TUBERCULOSIS PII PROTEIN GLNK GLNB T-LOOP 3-10 HELIX C-LOOP B-LOOPSTRUCTURAL GENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSNUCLEOTIDE-BINDING TRANSCRIPTION TRANSCRIPTION REGULATIONSIGNALING PROTEIN-TRANSCRIPTION COMPLEX
Ref.: CRYSTAL STRUCTURES OF THE APO AND ATP BOUND MYCOBAC TUBERCULOSIS NITROGEN REGULATORY PII PROTEIN. PROTEIN SCI. V. 19 1513 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:701;
B:701;
C:701;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 1.93 uM
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LF0 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ATP BOUND MYCOBACTERIUM TUBERCULOSI REGULATORY PII PROTEIN MYCOBACTERIUM TUBERCULOSIS PII PROTEIN GLNK GLNB T-LOOP 3-10 HELIX C-LOOP B-LOOPSTRUCTURAL GENOMICS TB STRUCTURAL GENOMICS CONSORTIUM TBSNUCLEOTIDE-BINDING TRANSCRIPTION TRANSCRIPTION REGULATIONSIGNALING PROTEIN-TRANSCRIPTION COMPLEX
Ref.: CRYSTAL STRUCTURES OF THE APO AND ATP BOUND MYCOBAC TUBERCULOSIS NITROGEN REGULATORY PII PROTEIN. PROTEIN SCI. V. 19 1513 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
15 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
19 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4CO0 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4CO4 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4CO3 Kd = 2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3MHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4CO2 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4CO1 Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 4CNZ Kd = 20 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2O66 - FLC C6 H5 O7 C(C(=O)[O-....
9 2O67 - MLI C3 H2 O4 C(C(=O)[O-....
10 3TA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3TA0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3TA2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2GNK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3LF0 Kd = 1.93 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 3NCR - ADP MG n/a n/a
16 3NCQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
18 4OZJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 2J9C - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 2J9E - AKG C5 H6 O5 C(CC(=O)O)....
21 4USI ic50 = 1.18 mM AKG C5 H6 O5 C(CC(=O)O)....
22 5L9N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1V3S - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1V9O - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2XBP Kd = 9.6 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2XZW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4AFF - FLC C6 H5 O7 C(C(=O)[O-....
28 2XUL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LF0; Ligand: ATP; Similar sites found with APoc: 152
This union binding pocket(no: 1) in the query (biounit: 3lf0.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 3ZO7 K6H None
3 1UYY BGC BGC None
4 3TW1 AHN None
5 5KY9 GDP None
6 5XVG 8FX None
7 2BOS GLA GAL GLC NBU None
8 3KIF GDL None
9 6HDT BTN None
10 1TL2 NDG None
11 2BOS GLA GAL GLC None
12 6C5F 7L9 None
13 3M3E GAL A2G NPO None
14 1WOQ BGC None
15 1GZF NIR None
16 4GGZ BTN None
17 4FK7 P34 1.75439
18 4FXQ G9L 1.75439
19 5CK5 GDP 1.75439
20 1SBR VIB 2.63158
21 2J5B TYE 2.63158
22 3B9Q MLI 2.63158
23 6EK3 OUL 2.63158
24 1MFI FHC 2.63158
25 3HSS MLA 2.63158
26 1IXE COA 2.63158
27 2XG5 EC2 2.63158
28 2XG5 EC5 2.63158
29 4YJK URA 2.63158
30 6GNO XDI 3.50877
31 5YSI NCA 3.50877
32 5K0A FAD 3.50877
33 5BVE 4VG 3.50877
34 1UNQ 4IP 3.50877
35 1SQL GUN 3.50877
36 2CYB TYR 3.50877
37 5KJW 53C 4.38596
38 3LGS ADE 4.38596
39 3EW2 BTN 4.38596
40 3JQ3 ADP 4.38596
41 2AWN ADP 4.38596
42 4N70 2HX 4.38596
43 5NNS AKR 4.38596
44 6B3V 7DQ 4.38596
45 6B3V ANP 4.38596
46 1ME8 RVP 4.38596
47 5J60 FAD 4.38596
48 3NZ1 3NY 5.26316
49 5MW4 5JU 5.26316
50 1PVN MZP 5.26316
51 2G50 PYR 5.26316
52 5N0O SAM 5.26316
53 5G48 1FL 5.26316
54 1H5R THM 5.26316
55 2FR6 URI 5.26316
56 2YNE NHW 5.26316
57 2YNE YNE 5.26316
58 2FR6 CTN 5.26316
59 4Z87 GDP 5.26316
60 3OV6 MK0 5.26316
61 5FUI APY 6.14035
62 1F9V ADP 6.14035
63 5F7J ADE 6.14035
64 2QPU QPU 6.14035
65 2QPU QPS 6.14035
66 5IFK HPA 6.14035
67 5TVA AMP 6.14035
68 5TV6 PML 6.14035
69 4MOB ADP 6.14035
70 2ZL4 ALA ALA ALA ALA 6.14035
71 5HWV MBN 6.14035
72 1AJ8 COA 6.14035
73 2VBF TPP 6.14035
74 3DUV KDO 6.14035
75 5OCG 9R5 7.01754
76 3BJE URA 7.01754
77 5C9P FUC 7.01754
78 1M0S CIT 7.01754
79 5LX9 OLB 7.04225
80 2CJU PHX 7.07965
81 1WZ1 DNS 7.07965
82 3EFS BTN 7.29614
83 2P3V SRT 7.89474
84 2IU8 PLM 7.89474
85 1C3X 8IG 7.89474
86 1T9D P22 7.89474
87 4BJ8 BTN 7.89474
88 1WHT BZS 7.89474
89 2VL1 GLY GLY 8.77193
90 1TT8 PHB 8.77193
91 2GU8 796 8.77193
92 3VSV XYP 9.64912
93 5WS9 OXL 9.64912
94 1RYD GLC 9.64912
95 1W8S FBP 9.64912
96 4KCT PYR 9.64912
97 5A7Y SAH 9.64912
98 4L50 D8X 9.64912
99 3IWD M2T 9.67742
100 1VL1 CIT 10.3448
101 5L2R MLA 10.5263
102 1DTL BEP 10.5263
103 1MJT ITU 10.5263
104 1EFV AMP 10.5263
105 2JCB ADP 10.5263
106 1EFV FAD 10.5263
107 5WXU FLC 10.5263
108 2QQC AG2 10.7143
109 2W5P CL8 11.4035
110 1G51 AMP 11.4035
111 1LSH PLD 11.4035
112 1OFL NGK GCD 11.4035
113 5H9P TD2 11.4035
114 3KJS DQ1 11.4035
115 3A16 PXO 11.4035
116 3NIP 16D 11.4035
117 5Y4R C2E 12.2807
118 5XLY C2E 12.2807
119 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 12.2807
120 2YN4 39J 12.2807
121 5WL1 CUY 12.2807
122 5WL1 D3D 12.2807
123 3DRW AMP 12.2807
124 6FA4 D1W 13.1579
125 4CS4 AXZ 13.1579
126 4CS4 ANP 13.1579
127 4IP7 FLC 13.1579
128 2POC UD1 13.1579
129 5LRT ADP 13.1579
130 5N53 8NB 14.0351
131 5OFW 9TW 14.0351
132 6F4W FMC 14.0351
133 1O94 AMP 14.9123
134 1O97 AMP 14.9123
135 1O97 FAD 14.9123
136 1HXD BTN 14.9123
137 1U6R ADP 14.9123
138 5HGZ MLA 15.7895
139 1I7M CG 16.4179
140 2DXU BT5 18.4211
141 1SDW IYT 19.2982
142 4DOO DAO 19.2982
143 5TVF CGQ 20
144 1USI PHE 21.0526
145 1K0E TRP 21.9298
146 4B9E FAH 22.807
147 1GPM AMP 23.6842
148 2PNC CLU 23.6842
149 2PZI AXX 23.6842
150 3AI3 SOE 27.193
151 4Z28 BTN 27.193
152 1RJW ETF 28.9474
Pocket No.: 2; Query (leader) PDB : 3LF0; Ligand: ATP; Similar sites found with APoc: 70
This union binding pocket(no: 2) in the query (biounit: 3lf0.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 4U00 ADP None
3 3SAO DBH None
4 5U32 GDP None
5 3BP1 GUN None
6 2OI2 DP6 None
7 4IEN GDP None
8 6GH9 MIX 0.877193
9 5ZXD ATP 1.75439
10 3T2W BTN 2.63158
11 3ZF8 GDP 2.63158
12 2VAR AMP 2.63158
13 1JXN MFU 3.50877
14 2YKL NLD 3.50877
15 1MXG ACR 5.26316
16 2QHV OC9 5.26316
17 1TZD ADP 5.26316
18 3QPB URA 5.26316
19 3CM2 X23 5.26316
20 1P0Z FLC 5.26316
21 4DE0 0JB 6.14035
22 4UAA 3GK 6.14035
23 4UA7 3GK 6.14035
24 4DDY DN6 6.14035
25 1DLL LAT 6.14035
26 3EXS 5RP 6.14035
27 1WD4 AHR 6.14035
28 3VEH 0GA 6.14035
29 2H88 TEO 7.01754
30 4URN NOV 7.01754
31 5OKT 9XK 7.01754
32 5GVR LMR 7.89474
33 1ELI PYC 7.89474
34 2WDQ TEO 7.89474
35 3K7S R52 7.89474
36 1P9B HDA 7.89474
37 5O0J 8BR 7.89474
38 2WHX ADP 7.89474
39 4XTX 590 7.89474
40 3RWP ABQ 7.89474
41 3A06 FOM 7.89474
42 3ESS 18N 7.89474
43 2J73 GLC GLC GLC GLC 8.73786
44 3D91 REM 8.77193
45 2WD7 VGD 8.77193
46 1GT4 UNA 8.77193
47 2A9W UMP 9.64912
48 3VSV XYS 9.64912
49 2Z3U CRR 9.64912
50 2EB5 OXL 9.64912
51 6E1Q CFA 10.5263
52 4YRY FAD 10.5263
53 4RD0 GDP 10.5263
54 4TVD BGC 11.4035
55 2VT3 ATP 12.2807
56 5OUH L0B 12.2807
57 3CBC DBS 13.1579
58 4EWN 0VR 14.0351
59 5LMK 6ZK 14.0351
60 1TZJ A3B 14.9123
61 4NPL AKG 15.7895
62 5GJO PLP 16.6667
63 3HQP OXL 16.6667
64 4CJN QNZ 16.6667
65 2F6U CIT 19.2982
66 1LOJ URI 20.6897
67 5FPE 3TR 21.0526
68 1KNR FAD 22.807
69 2NU8 COA 23.6842
70 6AM8 TRP 31.5789
Pocket No.: 3; Query (leader) PDB : 3LF0; Ligand: ATP; Similar sites found with APoc: 54
This union binding pocket(no: 3) in the query (biounit: 3lf0.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZ1 NAD None
2 3KIH GDL None
3 3KP6 SAL None
4 1KAE NAD None
5 1O6B ADP None
6 3GFS FMN None
7 3MVH WFE None
8 1MAI I3P None
9 1VBO MAN 2.68456
10 4V1F BQ1 3.48837
11 3ZJX BOG 3.50877
12 2IMP NAI 3.50877
13 1OKE BOG 3.50877
14 4UP3 FAD 4.38596
15 4JNJ BTN 4.38596
16 5E9H MLI 4.38596
17 1GPE FAD 4.38596
18 2CYC TYR 4.38596
19 4C1K PEP 4.38596
20 1QPB PYM 5.26316
21 3I6B KDO 5.26316
22 1QPB TPP 5.26316
23 3WBZ ATP 5.26316
24 5AWM ANP 5.26316
25 1G8K MGD 5.26316
26 2Q37 3AL 6.14035
27 1BHX ASP PHE GLU GLU ILE 6.66667
28 4KBA 1QM 7.01754
29 2WQ4 SFU 7.01754
30 3RG9 WRA 7.89474
31 3RG9 NDP 7.89474
32 2NXW TPP 7.89474
33 4M52 FAD 7.89474
34 3FJG 3PG 8.77193
35 4TS1 TYR 9.64912
36 4PXL NAD 9.64912
37 5TZO 7V7 9.64912
38 1I1E DM2 9.64912
39 4RLQ 3SK 10.5263
40 1YBH P22 10.5263
41 4RF7 ARG 12.2807
42 3IWJ NAD 13.1579
43 3EYA TDP 13.1579
44 5F7Y GLC GAL NAG GAL FUC A2G 13.1579
45 3ITJ FAD 14.0351
46 1U6R IOM 14.9123
47 1VRP IOM 14.9123
48 1T3D CYS 17.5439
49 5CGE 51F 17.5439
50 1KY8 NAP 17.5439
51 2PEL LAT 20.1754
52 2IHU TP9 20.1754
53 3NB0 G6P 20.1754
54 1VDC FAD 28.9474
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