Receptor
PDB id Resolution Class Description Source Keywords
4FE2 2.29 Å EC: 6.3.2.6 X-RAY STRUCTURE OF SAICAR SYNTHETASE (PURC) FROM STREPTOCOCC PNEUMONIAE COMPLEXED WITH AIR, ADP, ASP AND MG2+ STREPTOCOCCUS PNEUMONIAE ALPHA/BETA PROTEIN SAICAR SYNTHETASE CAIR ASP LIGASE
Ref.: STRUCTURES OF SAICAR SYNTHETASE (PURC) FROM STREPTO PNEUMONIAE WITH ADP, MG(2+), AIR AND ASP. ACTA CRYSTALLOGR.,SECT.D V. 70 841 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AIR A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
295.186 C8 H14 N3 O7 P c1c(n...
ADP B:302;
A:302;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:303;
B:303;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
CL A:305;
Invalid;
none;
submit data
35.453 Cl [Cl-]
144 A:304;
B:304;
A:307;
A:308;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C[N+]...
ASP A:306;
Valid;
none;
submit data
133.103 C4 H7 N O4 C([C@...
ACT B:305;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FE2 2.29 Å EC: 6.3.2.6 X-RAY STRUCTURE OF SAICAR SYNTHETASE (PURC) FROM STREPTOCOCC PNEUMONIAE COMPLEXED WITH AIR, ADP, ASP AND MG2+ STREPTOCOCCUS PNEUMONIAE ALPHA/BETA PROTEIN SAICAR SYNTHETASE CAIR ASP LIGASE
Ref.: STRUCTURES OF SAICAR SYNTHETASE (PURC) FROM STREPTO PNEUMONIAE WITH ADP, MG(2+), AIR AND ASP. ACTA CRYSTALLOGR.,SECT.D V. 70 841 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4FE2 - ADP C10 H15 N5 O10 P2 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 4 families.
1 4FE2 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4FE2 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2GQS - C2R C9 H14 N3 O9 P c1nc(c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AIR; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 AIR 1 1
2 7RA 0.591549 0.914286
3 AMZ 0.573529 0.955882
4 C2R 0.573529 0.942029
5 AMP 0.571429 0.927536
6 A 0.571429 0.927536
7 NIA 0.557143 0.878378
8 7RP 0.534247 0.884058
9 AAM 0.527027 0.927536
10 RMB 0.527027 0.855072
11 71V 0.513158 0.842105
12 IRN 0.507692 0.907692
13 1RB 0.506849 0.867647
14 FAI 0.506667 0.955882
15 IMO 0.506667 0.859155
16 P2P 0.506667 0.859155
17 RBZ 0.5 0.857143
18 G 0.493671 0.890411
19 5GP 0.493671 0.890411
20 JLN 0.486842 0.927536
21 G7M 0.481013 0.855263
22 RVP 0.478873 0.884058
23 PGS 0.475 0.794872
24 PMO 0.474359 0.830986
25 ADP 0.468354 0.901408
26 IMP 0.468354 0.888889
27 ABM 0.467532 0.875
28 A2D 0.467532 0.875
29 6IA 0.464286 0.797468
30 93A 0.4625 0.790123
31 A12 0.455696 0.864865
32 AP2 0.455696 0.864865
33 BA3 0.455696 0.875
34 AMP MG 0.454545 0.849315
35 6C6 0.452381 0.84
36 ATP 0.451219 0.901408
37 AP5 0.45 0.875
38 B4P 0.45 0.875
39 25A 0.449438 0.901408
40 5FA 0.445783 0.901408
41 APC 0.445783 0.864865
42 PRX 0.445783 0.851351
43 AQP 0.445783 0.901408
44 AN2 0.444444 0.888889
45 XMP 0.443038 0.876712
46 SRA 0.441558 0.876712
47 CA0 0.439024 0.851351
48 M33 0.439024 0.863014
49 ADX 0.439024 0.7875
50 AU1 0.439024 0.876712
51 2SA 0.436782 0.84
52 50T 0.433735 0.888889
53 ACP 0.433735 0.876712
54 TAT 0.430233 0.864865
55 ACQ 0.430233 0.876712
56 AR6 0.428571 0.875
57 APR 0.428571 0.875
58 GUO 0.426966 0.928571
59 7DD 0.426829 0.887324
60 8BR 0.425 0.890411
61 AD9 0.423529 0.876712
62 SAP 0.423529 0.853333
63 AGS 0.423529 0.853333
64 ADV 0.423529 0.84
65 RBY 0.423529 0.84
66 ITT 0.421687 0.847222
67 ADP MG 0.421687 0.837838
68 6K6 0.417582 0.887324
69 BEF ADP 0.416667 0.815789
70 ADP BEF 0.416667 0.815789
71 ANP 0.413793 0.876712
72 MGQ 0.413043 0.844156
73 RGT 0.412371 0.864865
74 7DT 0.411765 0.887324
75 1PR 0.410526 0.878378
76 5AL 0.409091 0.863014
77 N6P 0.408602 0.871429
78 ADP PO3 0.406977 0.873239
79 GRF 0.40678 0.727273
80 MAP 0.406593 0.853333
81 A22 0.406593 0.888889
82 ADP ALF 0.404494 0.805195
83 ALF ADP 0.404494 0.805195
84 ATF 0.404494 0.864865
85 ATP MG 0.402299 0.837838
86 OOB 0.402174 0.863014
87 5SV 0.402174 0.807692
88 SRP 0.4 0.84
89 MGV 0.4 0.802469
90 ANP MG 0.4 0.828947
91 MZP 0.4 0.884058
Ligand no: 2; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 3; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FE2; Ligand: AIR; Similar sites found: 185
This union binding pocket(no: 1) in the query (biounit: 4fe2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RT1 C2E 0.0007989 0.46028 None
2 3QXV MTX 0.009344 0.40723 None
3 2E56 MYR 0.03248 0.40109 None
4 5MW8 ATP 0.002082 0.45054 1.56863
5 4YLL 4E3 0.00354 0.43925 1.56863
6 5HWV MBN 0.002344 0.41851 1.56863
7 3JUC PCA 0.01888 0.40089 1.56863
8 3TAY MN0 0.001598 0.45967 1.84049
9 5EW9 5VC 0.04122 0.43374 1.96078
10 3OPT AKG 0.008975 0.41456 1.96078
11 5XDT ZI7 0.02107 0.4069 1.96078
12 3IAE D7K 0.03236 0.40232 1.96078
13 2GC0 PAN 0.01169 0.40669 2.12766
14 4L3L 5FI 0.001152 0.4731 2.35294
15 5MY8 RXZ 0.003222 0.44461 2.35294
16 4N70 2HX 0.01161 0.43918 2.35294
17 5MRH Q9Z 0.002098 0.43812 2.35294
18 4B2Z P5S 0.009757 0.43567 2.35294
19 4YZC STU 0.00938 0.43443 2.35294
20 1VJY 460 0.01278 0.42296 2.35294
21 1KGI T4A 0.02267 0.40109 2.3622
22 5A5W GUO 0.01137 0.43423 2.37154
23 5AFN L0B 0.02653 0.41108 2.41546
24 4L9I 8PR 0.0005439 0.46823 2.7451
25 1OFL NGK GCD 0.0009372 0.46191 2.7451
26 4K3P ACE GLN LEU ALA LEU PHE 0.002311 0.44459 2.7451
27 2X4Z X4Z 0.006239 0.44124 2.7451
28 5HX8 66P 0.00429 0.44002 2.7451
29 1W96 S1A 0.003538 0.43368 2.7451
30 3PE2 E1B 0.02343 0.42132 2.7451
31 3E9I XAH 0.01478 0.41728 2.7451
32 1RYD GLC 0.009121 0.41565 2.7451
33 5F7N NAG GAL FUC FUC A2G 0.01276 0.41348 2.7451
34 5F7Y GLC GAL NAG GAL FUC A2G 0.00684 0.41136 2.7451
35 4CLI 5P8 0.03699 0.4091 2.7451
36 5ALC TIQ 0.01159 0.4213 2.99145
37 5H2U 1N1 0.0139 0.40307 2.99625
38 5XLY C2E 0.004413 0.42703 3.00752
39 2TPS TPS 0.01771 0.40932 3.0837
40 3KRR DQX 0.001974 0.4906 3.13725
41 4MOB ADP 0.0008524 0.42677 3.13725
42 1DSS NAD 0.008933 0.42417 3.13725
43 5FM0 WAQ 0.02171 0.41236 3.13725
44 1OLM VTQ 0.02626 0.40208 3.13725
45 1W8S FBP 0.0129 0.40057 3.13725
46 1ZHX HC3 0.02704 0.4001 3.13725
47 4QAC KK3 0.01365 0.41498 3.22581
48 5F3I 5UJ 0.005485 0.46139 3.52941
49 3TEG DAH 0.003925 0.43528 3.52941
50 1O9J NAD 0.009206 0.42896 3.52941
51 2XK9 XK9 0.01675 0.42036 3.52941
52 1Q8Y ADP 0.008069 0.41823 3.52941
53 4B0T ADP 0.01485 0.41171 3.52941
54 1EZ0 NAP 0.0313 0.40307 3.52941
55 4D4U FUC GAL NDG FUC 0.009177 0.40296 3.52941
56 2J3M PRI 0.02156 0.40217 3.52941
57 5GJO PLP 0.01212 0.40186 3.52941
58 2J3M ATP 0.02066 0.40157 3.52941
59 2VDF OCT 0.0007184 0.4413 3.55731
60 4N1T 2GD 0.006756 0.43827 3.77358
61 3ORK AGS 0.004613 0.4369 3.92157
62 4ZUL UN1 0.03933 0.40594 3.92157
63 1U6R ADP 0.01357 0.40358 3.92157
64 3GD9 GLC BGC BGC BGC 0.01117 0.40132 3.92157
65 1O94 AMP 0.01664 0.40114 3.92157
66 1QY1 PRZ 0.006627 0.42418 4.02299
67 5N87 N66 0.0006086 0.49414 4.31373
68 1RE8 BD2 0.002184 0.4756 4.31373
69 3QCQ 3Q0 0.006278 0.4741 4.31373
70 2JDR L20 0.005352 0.46274 4.31373
71 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.005352 0.46274 4.31373
72 4CS4 AXZ 0.008038 0.44586 4.31373
73 5BYZ 4WE 0.006895 0.43531 4.31373
74 5JZJ AN2 0.003896 0.4275 4.31373
75 4CS4 ANP 0.02904 0.41102 4.31373
76 4ITH RCM 0.01779 0.40317 4.31373
77 2YJ0 420 0.04358 0.41487 4.34783
78 1W6P NDG GAL 0.008428 0.42238 4.47761
79 3WG3 A2G GAL NAG FUC 0.006932 0.40424 4.49438
80 5DQ8 FLF 0.008729 0.42162 4.58333
81 4E1Z 0MX 0.001996 0.45144 4.70588
82 3H9E NAD 0.01503 0.41427 4.70588
83 3OV6 MK0 0.02157 0.41017 4.70588
84 5T8U LPA 0.007669 0.40902 4.70588
85 4GJ3 0XP 0.02498 0.40693 4.70588
86 1TQP ATP 0.01818 0.40585 4.70588
87 3S7O LBV 0.008774 0.43127 4.95627
88 5KVA SAM 0.02194 0.40027 5.03597
89 3MVH WFE 0.001126 0.47359 5.09804
90 5UIU 8CG 0.00273 0.45425 5.09804
91 5DRB 5FJ 0.007784 0.44659 5.09804
92 3C0G 3AM 0.004918 0.4305 5.09804
93 5EOO CIT 0.009367 0.41124 5.09804
94 4PZ2 NAD 0.03067 0.40352 5.09804
95 2PYW ADP 0.01804 0.4012 5.09804
96 4HIA FMN 0.03047 0.40693 5.11364
97 4RYV ZEA 0.006623 0.40959 5.16129
98 3MTX PGT 0.01958 0.41351 5.29801
99 1ZB6 DIN 0.009813 0.42494 5.4902
100 1LSH PLD 0.01125 0.42328 5.4902
101 4YBN FAD 0.01438 0.41788 5.4902
102 4ZH7 FUC GAL NAG GAL FUC 0.006694 0.40937 5.4902
103 2XVD AS6 0.02159 0.40768 5.4902
104 3A7R LAQ 0.03088 0.40765 5.4902
105 4IEN GDP 0.01201 0.40415 5.52147
106 3FW4 CAQ 0.02371 0.40157 5.61798
107 1SU2 ATP 0.005989 0.42066 5.66038
108 3GQI ACP 0.004745 0.42552 5.88235
109 5A3T MMK 0.01494 0.4183 5.88235
110 4XIZ LPP 0.02461 0.40957 5.88235
111 5DMZ ADP 0.01581 0.40222 5.88235
112 1VYF OLA 0.006541 0.42781 5.92593
113 1T5B FMN 0.0156 0.40251 5.97015
114 2YAK OSV 0.0008438 0.47988 6.27451
115 3LXK MI1 0.003348 0.4469 6.27451
116 4OTH DRN 0.002813 0.44234 6.27451
117 5TV6 PML 0.003258 0.41862 6.27451
118 4NG2 OHN 0.02177 0.40197 6.52174
119 5UKL SIX 0.001339 0.46676 6.66667
120 4WNK 453 0.00246 0.45653 6.66667
121 4WHZ 3NL 0.03701 0.41235 6.66667
122 3KYF 5GP 5GP 0.0004952 0.46214 6.92641
123 3IX8 TX3 0.01356 0.41512 6.93642
124 3V8S 0HD 0.001267 0.45074 7.05882
125 4I54 1C1 0.009001 0.42945 7.05882
126 5W4W 9WG 0.01705 0.41537 7.05882
127 5GQF GAL NAG 0.00711 0.41286 7.05882
128 5LI1 ANP 0.01329 0.40939 7.05882
129 5DEY 59T 0.04948 0.40849 7.05882
130 3REU ATP 0.01523 0.40115 7.05882
131 5NCF 8T5 0.004419 0.40124 7.07965
132 4AZP A9M 0.01292 0.4132 7.24638
133 1KDK DHT 0.0004816 0.40006 7.34463
134 4ZAC 4LU 0.01233 0.42375 7.45098
135 5LVP ATP 0.009271 0.40514 7.45098
136 4Z28 BTN 0.006894 0.40877 7.46269
137 3E2M E2M 0.001181 0.46617 7.56757
138 2VYN NAD 0.01585 0.41574 7.84314
139 1WOR RED 0.02865 0.40016 7.84314
140 2G30 ALA ALA PHE 0.0003653 0.45 8.23529
141 2OBD PCW 0.01674 0.41578 8.23529
142 1PHK ATP 0.01025 0.41135 8.23529
143 4LRJ ANP 0.005882 0.41896 8.28402
144 4XTX 590 0.005337 0.44094 8.51852
145 5D9G GLU ASN LEU TYR PHE GLN 0.004979 0.40904 8.53659
146 2Y6Q I7T 0.004207 0.46338 8.62745
147 2RCU BUJ 0.009917 0.44761 8.62745
148 5H9Y BGC BGC BGC BGC 0.00499 0.42016 8.62745
149 5FP3 3JI 0.01935 0.40297 8.62745
150 3PLS ANP 0.01424 0.40059 8.62745
151 4EIP FAD 0.02059 0.42514 9.01961
152 3SXF BK5 0.0145 0.42249 9.01961
153 3R96 AMP 0.02857 0.41041 9.04255
154 3R96 ACO 0.02857 0.41041 9.04255
155 3LXN MI1 0.007215 0.42059 9.41177
156 1GT4 UNA 0.01014 0.40765 9.43396
157 3EW2 BTN 0.005438 0.41359 9.62963
158 3CIF NAD 0.01037 0.42236 9.80392
159 3LVW GSH 0.01628 0.42207 9.80392
160 4O12 2QG 0.005215 0.49048 10.1961
161 5BVE 4VG 0.03971 0.41836 10.5882
162 1MDC PLM 0.01566 0.40751 10.6061
163 3H0L ADP 0.01009 0.40104 10.6383
164 5M45 AMP 0.0118 0.40451 10.7143
165 4AXD ANP 0.01288 0.42839 11.3725
166 5N2D 8J8 0.01483 0.40358 11.8056
167 5HZX 2GE 0.00776 0.40637 11.9318
168 4X6F 3XU 0.004346 0.45493 12.381
169 2P1O NLA 0.02427 0.40756 12.5
170 5LXT GTP 0.04503 0.42108 12.549
171 5LXT ACP 0.02091 0.40131 12.549
172 2RDE C2E 0.002315 0.43351 12.749
173 5LRT ADP 0.008435 0.42391 12.9412
174 3HUJ AGH 0.02147 0.425 13.1313
175 5U98 1KX 0.03754 0.41907 13.1313
176 5L2J 70E 0.02888 0.42961 13.2653
177 5L2J 6UL 0.02749 0.42961 13.2653
178 4Y24 TD2 0.004832 0.41599 13.6364
179 5J8O 6GZ 0.01107 0.40584 13.7097
180 5HZ9 5M8 0.03031 0.4002 14.8148
181 4TW7 37K 0.003691 0.44327 14.8438
182 4DQ2 BTX 0.01854 0.4123 18.8235
183 3C6K MTA 0.03851 0.40363 20.7349
184 3C6K SPD 0.03851 0.40363 20.7349
185 5EYK 5U5 0.01882 0.408 30.5085
Pocket No.: 2; Query (leader) PDB : 4FE2; Ligand: ADP; 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: 4fe2.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4FE2; Ligand: ADP; Similar sites found: 245
This union binding pocket(no: 3) in the query (biounit: 4fe2.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MW8 ATP 0.00009894 0.50887 1.56863
2 4YLL 4E3 0.001749 0.44926 1.56863
3 1K3A ACP 0.00379 0.41884 1.56863
4 2R5T ANP 0.0005286 0.41508 1.56863
5 3NW7 LGV 0.03269 0.41014 1.56863
6 4E93 GUI 0.03064 0.40002 1.56863
7 5EW9 5VC 0.009314 0.46654 1.96078
8 5LXM ADP 0.003734 0.42377 1.96078
9 4IJP 1EH 0.005964 0.42025 1.96078
10 5L8L ADP 0.003823 0.4136 1.96078
11 1BYG STU 0.005699 0.41303 1.96078
12 5DBX ANP 0.0004541 0.46106 2.13415
13 2VQD AP2 0.0005367 0.46973 2.35294
14 1VJY 460 0.002644 0.45292 2.35294
15 4YZC STU 0.007033 0.43659 2.35294
16 5MY8 RXZ 0.003866 0.43611 2.35294
17 4N70 2HX 0.01503 0.42933 2.35294
18 4EN4 ATP 0.01429 0.42315 2.35294
19 4EN4 GT0 0.01429 0.42315 2.35294
20 4EN4 GT1 0.01429 0.42315 2.35294
21 4L3L 5FI 0.0105 0.4207 2.35294
22 5DH3 5BS 0.01154 0.40665 2.35294
23 5VCV 1N1 0.0154 0.40555 2.35294
24 4BKJ STI 0.02342 0.4047 2.35294
25 2QX0 PH2 0.0001522 0.41937 2.51572
26 3PE2 E1B 0.0002363 0.52025 2.7451
27 2X4Z X4Z 0.001755 0.46436 2.7451
28 4BFM ANP 0.0009466 0.45808 2.7451
29 4M69 ANP 0.001816 0.4447 2.7451
30 2YAB AMP 0.001805 0.4428 2.7451
31 4A4X JUP 0.003657 0.43885 2.7451
32 4CLI 5P8 0.008933 0.43745 2.7451
33 2F57 23D 0.002613 0.42868 2.7451
34 5IH9 6BF 0.01007 0.42764 2.7451
35 5USZ SKE 0.007406 0.42542 2.7451
36 5CEO 50D 0.005613 0.41762 2.7451
37 3DAK ANP 0.004545 0.41757 2.7451
38 3UIM ANP 0.005792 0.41698 2.7451
39 1ZP9 ATP 0.007044 0.40877 2.7451
40 5HX8 66P 0.01607 0.40758 2.7451
41 5LXC 7AA 0.008011 0.40619 2.7451
42 4L9I 8PR 0.009043 0.40588 2.7451
43 4CYI ATP 0.01257 0.40487 2.7451
44 1ZTH ADP 0.008033 0.40386 2.7451
45 5TDF ADP 0.01461 0.40176 2.7451
46 4YZN 4K5 0.002085 0.44561 2.78746
47 3E8N ATP 0.001205 0.48296 3.13725
48 3E8N VRA 0.001205 0.48296 3.13725
49 3TKI S25 0.005572 0.45503 3.13725
50 4H3Q ANP 0.001646 0.45052 3.13725
51 3KRR DQX 0.01938 0.43294 3.13725
52 5EOB 5QQ 0.01722 0.43018 3.13725
53 5UOX 8GY 0.004679 0.42707 3.13725
54 4QMN DB8 0.01335 0.42149 3.13725
55 4H3P ANP 0.005634 0.41754 3.13725
56 2XMY CDK 0.04028 0.41647 3.13725
57 4BHN BH9 0.007848 0.41459 3.13725
58 4IX4 ADP 0.008274 0.4135 3.13725
59 3KN5 ANP 0.007001 0.41106 3.13725
60 1XJD STU 0.01093 0.40595 3.13725
61 3KRL KRL 0.01379 0.40466 3.13725
62 4OAV ACP 0.009622 0.40463 3.13725
63 5DA3 58V 0.01094 0.40175 3.13725
64 4WVO 3UZ 0.01158 0.41592 3.31492
65 1Q8Y ADP 0.001227 0.45275 3.52941
66 3WVR AMP 0.001543 0.43924 3.52941
67 2XK9 XK9 0.00743 0.43427 3.52941
68 5JKG 6LF 0.01619 0.41939 3.52941
69 2ZV2 609 0.004947 0.41799 3.52941
70 1W2D ADP 0.005492 0.41585 3.52941
71 3ETG NDP 0.03435 0.41573 3.52941
72 2FNU PMP UD1 0.0192 0.41563 3.52941
73 3ETG GLU 0.03489 0.41537 3.52941
74 5LPZ ADP 0.006664 0.41413 3.52941
75 1Q8Y ADE 0.00275 0.41356 3.52941
76 3TXO 07U 0.009634 0.40248 3.52941
77 3ORK AGS 0.001038 0.46369 3.92157
78 1O9U ADZ 0.001894 0.45511 3.92157
79 5X8I SQZ 0.002795 0.4318 3.92157
80 3VHE 42Q 0.01073 0.42025 3.92157
81 5U7W ADE 0.00865 0.4196 3.92157
82 3F7Z 34O 0.01038 0.4051 3.92157
83 3E8T UQ8 0.01768 0.43102 4.09091
84 2VZ6 FEF 0.006648 0.40764 4.15335
85 4ZS4 ATP 0.00001281 0.54382 4.23453
86 3RI1 3RH 0.0001419 0.50726 4.31373
87 3Q60 ATP 0.0002914 0.47523 4.31373
88 3QCQ 3Q0 0.007802 0.4646 4.31373
89 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.01129 0.44128 4.31373
90 2JDR L20 0.01129 0.44128 4.31373
91 5JZJ AN2 0.002312 0.43345 4.31373
92 4NM5 ADP 0.00578 0.42442 4.31373
93 2PUL ACP 0.005012 0.41782 4.31373
94 5IQD RIO 0.01781 0.41729 4.31373
95 5IQD GNP 0.01699 0.41729 4.31373
96 2GU8 796 0.0321 0.41661 4.31373
97 1RE8 BD2 0.02639 0.41498 4.31373
98 5VZ0 ADP 0.00627 0.41329 4.31373
99 3V4S ATP 0.009649 0.41208 4.31373
100 1IOW PHY 0.01969 0.41191 4.31373
101 1IOW ADP 0.01969 0.41191 4.31373
102 4XYM A12 0.008235 0.41175 4.31373
103 5BYZ 4WE 0.01755 0.41092 4.31373
104 3VPD ANP 0.01058 0.41016 4.31373
105 5UR1 YY9 0.02935 0.41 4.31373
106 2B9F ADP 0.008852 0.40834 4.31373
107 2B9H ADP 0.01096 0.40589 4.31373
108 4CRL C1I 0.02608 0.40466 4.31373
109 3V4S ADP 0.03401 0.40098 4.31373
110 2VPQ ANP 0.0004918 0.4756 4.43459
111 1TQP ATP 0.0001735 0.49922 4.70588
112 4FG8 ATP 0.0009194 0.45868 4.70588
113 2CSN CKI 0.001614 0.45608 4.70588
114 2QCS ANP 0.001663 0.45545 4.70588
115 4GJ3 0XP 0.004956 0.4381 4.70588
116 1FFU CDP 0.01992 0.41679 4.70588
117 4E1Z 0MX 0.008496 0.4164 4.70588
118 3AKK ADP 0.01239 0.40337 4.70588
119 4JR7 GNP 0.01331 0.40003 4.70588
120 2PYW ADP 0.0004642 0.47271 5.09804
121 3PDT ADP 0.0002367 0.46532 5.09804
122 5DRB 5FJ 0.002841 0.46486 5.09804
123 4EUU BX7 0.00806 0.42218 5.09804
124 5TA6 79D 0.00874 0.42191 5.09804
125 3C0G 3AM 0.00825 0.41532 5.09804
126 3MVH WFE 0.01841 0.40866 5.09804
127 5UIU 8CG 0.02463 0.40239 5.09804
128 4AUA 4AU 0.01115 0.40164 5.09804
129 5HCY 60D 0.00552 0.44815 5.43807
130 5HVJ ANP 0.0009491 0.46956 5.4902
131 2RIO ADP 0.002809 0.42952 5.4902
132 1AUX AGS 0.0008149 0.42534 5.4902
133 5VC5 96M 0.01064 0.41772 5.4902
134 2PVF ACP 0.00535 0.4165 5.4902
135 1PK8 ATP 0.01417 0.4088 5.4902
136 2XVD AS6 0.01888 0.40684 5.4902
137 3GC0 AMP 0.007338 0.40567 5.4902
138 5U6C 7YS 0.01655 0.40087 5.4902
139 5DMZ ADP 0.0002579 0.48017 5.88235
140 3TDV GDP 0.0005591 0.46447 5.88235
141 5I35 ANP 0.004757 0.41888 5.88235
142 3HRD MCN 0.01855 0.41429 5.88235
143 5DZT AMP 0.001885 0.4073 5.88235
144 4K33 ACP 0.01143 0.40503 5.88235
145 5N9X 8QN 0.01832 0.40035 5.88235
146 3KMW ATP 0.004109 0.42184 6.20155
147 5GZ9 ANP 0.00009525 0.50966 6.22951
148 2YAK OSV 0.003341 0.44518 6.27451
149 4Y93 746 0.004704 0.432 6.27451
150 4OTH DRN 0.003994 0.43034 6.27451
151 3WO0 ALA 0.01355 0.4233 6.27451
152 3LXK MI1 0.009536 0.42006 6.27451
153 3TII ANP 0.002553 0.41943 6.27451
154 2F2U M77 0.005316 0.41652 6.27451
155 4NG2 OHN 0.02096 0.40052 6.52174
156 4WNK 453 0.001877 0.45747 6.66667
157 2QLU ADE 0.001551 0.45726 6.66667
158 5UKL SIX 0.002791 0.44609 6.66667
159 3X01 AMP 0.004626 0.43309 6.66667
160 5A6N U7E 0.003722 0.42801 6.66667
161 5IH1 GDP 0.02556 0.4189 6.66667
162 5IH1 6BQ 0.02721 0.41748 6.66667
163 2VN9 GVD 0.003358 0.41012 6.66667
164 4WHZ 3NL 0.0385 0.40802 6.66667
165 5LI1 ANP 0.0003725 0.47935 7.05882
166 5DEY 59T 0.002521 0.47297 7.05882
167 5LI9 ACP 0.0004706 0.43061 7.05882
168 2PZI AXX 0.002215 0.42953 7.05882
169 4DFU QUE 0.00916 0.41452 7.05882
170 3V8S 0HD 0.00755 0.40954 7.05882
171 3FHI ANP 0.002093 0.45061 7.14286
172 2WEL K88 0.002376 0.4 7.33333
173 2WQN ADP 0.0006255 0.45469 7.45098
174 5LVP ATP 0.002551 0.42673 7.45098
175 2BKK ADP 0.005947 0.41437 7.45098
176 4U44 3D9 0.01331 0.40002 7.83133
177 3UDZ ADP 0.0001194 0.49826 7.84314
178 4XH0 ADP 0.002997 0.44112 7.84314
179 3G5D 1N1 0.01716 0.42796 7.84314
180 4IDT T28 0.005594 0.4156 7.84314
181 2FB3 GTP 0.02272 0.40413 7.84314
182 3IDB ANP 0.007704 0.41844 8.07453
183 4UAL 3FV 0.002095 0.43765 8.23529
184 3DLS ADP 0.006032 0.40958 8.23529
185 1PHK ATP 0.01028 0.4072 8.23529
186 5W2I I3P 0.016 0.40475 8.23529
187 5W2I ADP 0.016 0.40475 8.23529
188 5F1X ATP 0.02346 0.40465 8.23529
189 4BCM T7Z 0.01079 0.40231 8.23529
190 3CY2 MB9 0.01841 0.40026 8.23529
191 4LRJ ANP 0.00004523 0.5128 8.28402
192 4F9C 0SX 0.008868 0.40628 8.33333
193 4Z4P SAH 0.008459 0.40724 8.43373
194 5M06 ADP 0.001026 0.44742 8.62745
195 3PLS ANP 0.003066 0.42776 8.62745
196 4OCV ANP 0.006213 0.41752 8.62745
197 5KO1 6UY 0.008654 0.40678 8.62745
198 4ZRB COA 0.006945 0.41329 8.75912
199 3F5O UOC COA 0.006263 0.42898 8.78378
200 3SXF BK5 0.01298 0.42098 9.01961
201 5C03 AGS 0.006306 0.41525 9.01961
202 2V7O DRN 0.004991 0.40177 9.01961
203 4JDI ANP 0.000109 0.50247 9.41177
204 3LXN MI1 0.002748 0.43618 9.41177
205 2BNF UTP 0.01552 0.40687 9.41177
206 1GSA ADP 0.001595 0.45117 9.49367
207 4QTB 38Z 0.00222 0.45244 9.80392
208 4O1P ANP 0.00551 0.418 9.80392
209 4WB6 ATP 0.002058 0.45097 10.1961
210 5K2M ADP 0.001835 0.45004 10.1961
211 2IO8 ADP 0.002461 0.44391 10.1961
212 4WB7 ATP 0.006623 0.43677 10.1961
213 3VOT ADP 0.002424 0.4225 10.1961
214 4Q5H ANP 0.000536 0.43617 10.3448
215 5BVE 4VG 0.01435 0.43859 10.5882
216 2A19 ANP 0.003945 0.42262 10.8571
217 1E6E FAD 0.03376 0.40315 10.9375
218 4WW7 AMP 0.002337 0.44142 10.9804
219 4MV1 ADP 0.01708 0.41271 10.9804
220 3ETH ATP 0.008623 0.41441 10.9859
221 5FBN 5WF 0.01713 0.41495 11.0701
222 4AXD ANP 0.00007344 0.53734 11.3725
223 4Y0X ADP 0.0002321 0.47719 11.7647
224 2HGS ADP 0.0009823 0.46124 11.7647
225 4M20 COA 0.01316 0.40884 11.811
226 5HQ0 LZ9 0.008684 0.4125 11.9048
227 2R85 AMP 0.01989 0.40822 12.1569
228 5JLB SAH 0.01149 0.40102 12.1569
229 1IA9 ANP 0.0001838 0.45008 12.549
230 5LXT ACP 0.004319 0.43048 12.549
231 3D91 REM 0.04429 0.4382 13.3333
232 4FL3 ANP 0.0005614 0.41681 13.3333
233 4LO2 GAL BGC 0.008303 0.41265 13.3333
234 2ZQO NGA 0.009983 0.41406 13.8462
235 2FHF GLC GLC GLC GLC 0.01617 0.40744 16.0784
236 1YRO UDP 0.01036 0.41826 16.2602
237 3ZRM ZRM 0.003523 0.42709 21.875
238 5G1X ADP 0.008216 0.40783 22.2222
239 4C2V YJA 0.004791 0.43748 22.7273
240 2BUP ADP 0.01648 0.40412 22.7451
241 2BUP ATP 0.01648 0.40412 22.7451
242 5C4L 4XR 0.01447 0.41509 25.098
243 5C4L SIS 0.02806 0.40078 25.098
244 5EYK 5U5 0.006273 0.42894 30.5085
245 4C2W ANP 0.003158 0.41703 34.6154
Pocket No.: 4; Query (leader) PDB : 4FE2; Ligand: AIR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4fe2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4FE2; Ligand: ASP; Similar sites found: 30
This union binding pocket(no: 5) in the query (biounit: 4fe2.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NKI PPF 0.01357 0.40061 1.48148
2 5EF7 5OJ 0.01534 0.4084 2.35294
3 1KGI T4A 0.02869 0.40247 2.3622
4 3W7T BMA 0.01028 0.41897 3.13725
5 1T27 PCW 0.0389 0.40534 3.13725
6 2Y88 2ER 0.04605 0.40344 3.68852
7 3OJI PYV 0.008636 0.41686 3.7037
8 2XSB GDL 0.01453 0.40243 3.92157
9 5IQD RIO 0.0348 0.40379 4.31373
10 3ZW2 NAG GAL FUC 0.0101 0.40829 4.5977
11 3O9P MHI 0.01821 0.41012 5.09804
12 3B8Y ADA ADA ADA ADA 0.002851 0.44136 5.4902
13 3A7R LAQ 0.02699 0.40899 5.4902
14 1I7L ATP 0.02833 0.40077 5.88235
15 3FW9 SLX 0.01458 0.40041 5.88235
16 4POS NAG SIA GAL 0.02206 0.40055 6.66667
17 4RGQ 1GP 0.02298 0.41382 6.79348
18 5M7S NHT 0.01189 0.41999 8.23529
19 2Z93 END 0.01205 0.41156 8.25688
20 1TIW TFB 0.03055 0.40333 8.62745
21 1TIW FAD 0.03055 0.40333 8.62745
22 2CET PGI 0.01951 0.41398 9.01961
23 3MMR ABH 0.02123 0.40248 9.01961
24 2E9L BGC 0.02135 0.41955 10.1961
25 2E9L OLA 0.02135 0.41955 10.1961
26 2E9L PLM 0.02057 0.41955 10.1961
27 4I4B NAD 0.04242 0.40726 10.1961
28 1XPK CAA 0.0143 0.42183 10.567
29 1CMC SAM 0.02503 0.41311 12.5
30 1DY4 SNP 0.01044 0.44244 12.549
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