Receptor
PDB id Resolution Class Description Source Keywords
3ebs 2.15 Å EC: 1.14.14.1 HUMAN CYTOCHROME P450 2A6 I208S/I300F/G301A/S369G IN COMPLEX WITH PHENACETIN HOMO SAPIENS CYP2A6 P450 2A6 CYP2A13 P450 2A13 MONOOXYGENASE OXIDOREDUCATASE HEME ENDOPLASMIC RETICULUM IRON MEMBRANE METAL-BINDING MICROSOME PHENACETIN OXIDOREDUCTASE POLYMORPHISM
Ref.: KEY RESIDUES CONTROLLING PHENACETIN METABOLISM BY HUMAN CYTOCHROME P4502A ENZYMES. DRUG METAB.DISPOS. V. 36 2582 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:500;
B:500;
C:500;
D:500;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
N4E A:1;
B:1;
D:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 21 uM
179.216 C10 H13 N O2 CCOc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FDW 2.05 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH THE INHIBITOR (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND HOMO SAPIENS CYP2A6 P450 2A6 P450 MONOOXYGENASE DRUG METABOLIZING ENZYME COUMARIN 7-HYDROXYLASE NICOTINE OXIDASE OXIDOREDUCTASE
Ref.: SYNTHETIC INHIBITORS OF CYTOCHROME P-450 2A6: INHIBITORY ACTIVITY, DIFFERENCE SPECTRA, MECHANISM OF INHIBITION, AND PROTEIN COCRYSTALLIZATION. J.MED.CHEM. V. 49 6987 2006
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
30 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
31 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
32 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
33 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
34 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
35 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
36 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
37 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
38 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
39 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
40 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
41 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
42 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 4XRZ ic50 = 0.37 uM SI6 C16 H16 F2 N4 O S c1cc(c(cc1....
30 4WNU - QDN C20 H24 N2 O2 COc1ccc2c(....
31 4WNV - QI9 C20 H24 N2 O2 COc1ccc2c(....
32 4XRY ic50 = 13.9 uM SI5 C17 H18 F2 N4 O S Cn1cc(cn1)....
33 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
34 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
35 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
36 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
37 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
38 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
39 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
40 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
41 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
42 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
43 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
44 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
45 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
46 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N4E; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 N4E 1 1
2 T9V 0.628571 0.827586
3 TYL 0.461538 0.733333
4 EE8 0.428571 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: N4E; Similar ligands found: 557
No: Ligand Similarity coefficient
1 QIV 0.9560
2 VC3 0.9540
3 A7H 0.9528
4 F4K 0.9479
5 UA5 0.9478
6 DVQ 0.9468
7 K4V 0.9456
8 HNT 0.9456
9 A98 0.9450
10 7MW 0.9448
11 Y3L 0.9447
12 8NB 0.9439
13 3VS 0.9439
14 I3E 0.9421
15 AES 0.9411
16 SNO 0.9397
17 OQC 0.9388
18 K82 0.9385
19 2QC 0.9370
20 492 0.9364
21 AZM 0.9351
22 5LA 0.9347
23 6KT 0.9345
24 RNO 0.9337
25 AJG 0.9333
26 657 0.9331
27 4I8 0.9330
28 9NB 0.9330
29 YI6 0.9330
30 A7N 0.9330
31 JBZ 0.9326
32 88L 0.9324
33 LR8 0.9317
34 1FD 0.9313
35 UNJ 0.9305
36 4NP 0.9300
37 LO1 0.9298
38 ZYX 0.9291
39 80G 0.9289
40 9R5 0.9286
41 JA5 0.9286
42 4JE 0.9285
43 94W 0.9285
44 0NX 0.9279
45 3ZB 0.9257
46 D2G 0.9243
47 CWJ 0.9242
48 5TT 0.9240
49 GO2 0.9236
50 XCG 0.9233
51 3W6 0.9229
52 3W3 0.9229
53 RA7 0.9228
54 PNZ 0.9221
55 36M 0.9221
56 PUE 0.9216
57 4NS 0.9212
58 7FU 0.9210
59 4BY 0.9207
60 2FX 0.9207
61 363 0.9206
62 KMY 0.9198
63 4BZ 0.9197
64 259 0.9196
65 JAH 0.9192
66 36Y 0.9189
67 4NM 0.9185
68 E5X 0.9185
69 BPN 0.9185
70 4MB 0.9183
71 LQ2 0.9180
72 L15 0.9179
73 HC4 0.9177
74 AJ1 0.9177
75 RYV 0.9173
76 ANN 0.9172
77 6P3 0.9169
78 4NB 0.9163
79 TMG 0.9163
80 N1E 0.9151
81 S0E 0.9150
82 CPZ 0.9149
83 RD4 0.9146
84 3W8 0.9145
85 J6W 0.9144
86 OW7 0.9143
87 1EB 0.9139
88 EUE 0.9139
89 NK5 0.9139
90 6SD 0.9136
91 54Z 0.9135
92 6FB 0.9132
93 795 0.9131
94 PPN 0.9122
95 4BL 0.9117
96 ZEC 0.9117
97 J1K 0.9112
98 Z13 0.9112
99 D1G 0.9112
100 7O4 0.9107
101 8WO 0.9105
102 QBP 0.9105
103 3VQ 0.9103
104 EUH 0.9101
105 GF4 0.9101
106 IAC 0.9097
107 A5E 0.9090
108 60L 0.9085
109 0HN 0.9084
110 AAN 0.9083
111 1F1 0.9083
112 NAG 0.9082
113 M78 0.9081
114 0UL 0.9080
115 JAW 0.9075
116 8YH 0.9075
117 E3X 0.9073
118 P81 0.9068
119 12T 0.9067
120 VM1 0.9062
121 4NZ 0.9059
122 3N1 0.9059
123 A5Q 0.9058
124 MSR 0.9058
125 PNP 0.9057
126 ZZA 0.9057
127 L03 0.9056
128 0HO 0.9050
129 0F3 0.9048
130 AM4 0.9048
131 8V8 0.9048
132 X0U 0.9045
133 2O8 0.9042
134 TID 0.9041
135 VFG 0.9038
136 3VX 0.9033
137 8CC 0.9031
138 OHJ 0.9029
139 F02 0.9028
140 86L 0.9027
141 STX 0.9027
142 4CM 0.9026
143 2BX 0.9024
144 BL0 0.9023
145 J9N 0.9022
146 27K 0.9021
147 NPX 0.9020
148 JDN 0.9019
149 D3G 0.9019
150 N2I 0.9019
151 DZA 0.9019
152 SWX 0.9017
153 NGA 0.9017
154 K7H 0.9015
155 4JC 0.9014
156 EN1 0.9012
157 2ZM 0.9012
158 YZ9 0.9011
159 PQZ 0.9008
160 535 0.9006
161 MMJ 0.9003
162 LEL 0.9003
163 N91 0.9002
164 ST3 0.8998
165 6NT 0.8998
166 SNU 0.8997
167 AMH 0.8997
168 PRO GLY 0.8996
169 G14 0.8994
170 NPS 0.8992
171 0JD 0.8992
172 VD9 0.8990
173 SKF 0.8982
174 F4E 0.8981
175 549 0.8981
176 HJ7 0.8981
177 TYR 0.8978
178 L1O 0.8977
179 9ZE 0.8977
180 5O6 0.8974
181 8ZE 0.8973
182 JMG 0.8973
183 PZM 0.8972
184 MS0 0.8972
185 NY4 0.8968
186 3XR 0.8967
187 6FG 0.8965
188 1FE 0.8965
189 14W 0.8964
190 6N4 0.8963
191 BVA 0.8962
192 EYY 0.8960
193 P9E 0.8958
194 M28 0.8957
195 E7S 0.8955
196 JCZ 0.8955
197 ST2 0.8954
198 428 0.8953
199 NF3 0.8948
200 BQ2 0.8946
201 MD6 0.8943
202 3AE 0.8943
203 TZF 0.8943
204 MKN 0.8940
205 SYE 0.8940
206 6NI 0.8940
207 EZL 0.8940
208 5OO 0.8940
209 5XC 0.8939
210 MS9 0.8939
211 3A9 0.8939
212 LPK 0.8939
213 LR5 0.8939
214 GJP 0.8935
215 1OS 0.8934
216 C1M 0.8933
217 L14 0.8930
218 3R4 0.8930
219 L1T 0.8928
220 IWT 0.8928
221 4YO 0.8927
222 FBF 0.8927
223 C53 0.8927
224 IQ5 0.8926
225 EYV 0.8925
226 T1N 0.8924
227 S7J 0.8923
228 CFA 0.8923
229 RSV 0.8923
230 3NY 0.8921
231 15N 0.8919
232 ODK 0.8918
233 CXH 0.8917
234 4FA 0.8914
235 M4S 0.8913
236 ESX 0.8913
237 1OT 0.8911
238 GWM 0.8911
239 4RU 0.8910
240 8D6 0.8908
241 FZM 0.8906
242 X6W 0.8905
243 CSN 0.8905
244 5GT 0.8904
245 2K8 0.8903
246 6MW 0.8900
247 A5P 0.8900
248 6DH 0.8900
249 5RP 0.8900
250 GOE 0.8899
251 27B 0.8899
252 4FE 0.8899
253 SN4 0.8898
254 P80 0.8898
255 MZM 0.8895
256 A6W 0.8895
257 5TZ 0.8894
258 BZ2 0.8894
259 OVM 0.8894
260 XI7 0.8893
261 6ZX 0.8892
262 TT4 0.8892
263 ENO 0.8891
264 5NI 0.8891
265 1HN 0.8889
266 EZ1 0.8888
267 4BX 0.8888
268 TXW 0.8885
269 B15 0.8885
270 RES 0.8883
271 SLS 0.8881
272 0TU 0.8879
273 3QV 0.8879
274 2BG 0.8877
275 72D 0.8877
276 BZJ 0.8877
277 NOK 0.8876
278 KDV 0.8875
279 ES2 0.8874
280 JB8 0.8874
281 2A9 0.8872
282 MQN 0.8870
283 GCO 0.8869
284 2HU 0.8867
285 ICB 0.8867
286 64Z 0.8865
287 OW4 0.8865
288 PPY 0.8865
289 7KE 0.8862
290 ALE 0.8859
291 4AB 0.8857
292 R5P 0.8855
293 R52 0.8855
294 W81 0.8855
295 ATX 0.8854
296 4TU 0.8854
297 5SP 0.8853
298 4AF 0.8853
299 D8Q 0.8851
300 92P 0.8851
301 IS2 0.8850
302 ABI 0.8845
303 YPN 0.8844
304 YRL 0.8843
305 AN3 0.8842
306 KBZ 0.8842
307 GGB 0.8842
308 TAG 0.8842
309 6C8 0.8841
310 15E 0.8840
311 HRM 0.8838
312 K2T 0.8837
313 4WL 0.8836
314 PQK 0.8836
315 52F 0.8835
316 MAJ 0.8835
317 C82 0.8834
318 7N8 0.8834
319 TEF 0.8833
320 I2E 0.8833
321 SRO 0.8832
322 1L5 0.8832
323 4JQ 0.8829
324 KLE 0.8829
325 856 0.8828
326 PH2 0.8826
327 PH3 0.8826
328 EYJ 0.8826
329 4HB 0.8826
330 5TY 0.8825
331 ESP 0.8825
332 HX4 0.8825
333 FBB 0.8824
334 OVP 0.8824
335 NFM 0.8820
336 FF2 0.8820
337 2D2 0.8818
338 U7E 0.8818
339 9KZ 0.8817
340 IBP 0.8815
341 DEW 0.8813
342 EV2 0.8813
343 EVF 0.8812
344 HPP 0.8812
345 HHR 0.8809
346 M4N 0.8808
347 DXP 0.8808
348 TGX 0.8807
349 E1T 0.8807
350 GVY 0.8804
351 KYA 0.8803
352 3EB 0.8802
353 SSC 0.8802
354 PQM 0.8800
355 8NX 0.8800
356 HDH 0.8799
357 1P8 0.8799
358 FHC 0.8797
359 MP5 0.8797
360 R9Y 0.8797
361 H2B 0.8797
362 HBI 0.8797
363 DJN 0.8794
364 5H6 0.8793
365 6L6 0.8792
366 49P 0.8791
367 5GV 0.8791
368 YE6 0.8790
369 IOP 0.8790
370 7AP 0.8782
371 4AU 0.8782
372 M1T 0.8779
373 6VD 0.8778
374 PTR 0.8777
375 KJU 0.8775
376 78Y 0.8775
377 3UF 0.8774
378 GB4 0.8774
379 HBO 0.8773
380 4LW 0.8773
381 5SJ 0.8771
382 R7T 0.8771
383 3XH 0.8769
384 4VY 0.8769
385 H4B 0.8768
386 VGD 0.8767
387 5VU 0.8765
388 3VW 0.8764
389 NDG 0.8763
390 9FE 0.8761
391 8XL 0.8760
392 0LO 0.8758
393 EAE 0.8758
394 2FY 0.8758
395 MR1 0.8756
396 92G 0.8754
397 ENW 0.8754
398 TRP 0.8752
399 6FZ 0.8749
400 BGU 0.8749
401 S0W 0.8747
402 FMQ 0.8746
403 7VP 0.8745
404 BIO 0.8742
405 0K7 0.8741
406 LGT 0.8740
407 1A5 0.8737
408 BVS 0.8737
409 VFM 0.8736
410 OTR 0.8734
411 7QD 0.8733
412 TCR 0.8733
413 FDR 0.8730
414 A2G 0.8730
415 ODO 0.8728
416 2LW 0.8728
417 5TO 0.8727
418 68A 0.8727
419 J38 0.8725
420 RKV 0.8722
421 BCH 0.8722
422 3SU 0.8722
423 6ME 0.8721
424 9FH 0.8720
425 4UM 0.8720
426 CLW 0.8719
427 K3D 0.8719
428 1Z6 0.8718
429 9BF 0.8716
430 EQW 0.8714
431 NFZ 0.8713
432 BZ3 0.8711
433 XIY 0.8710
434 6C4 0.8709
435 0J5 0.8707
436 MPV 0.8706
437 D25 0.8706
438 XEN 0.8706
439 RYY 0.8706
440 RCV 0.8705
441 9FL 0.8705
442 THA 0.8705
443 2HC 0.8704
444 PO6 0.8704
445 A9B 0.8704
446 2P3 0.8702
447 DVK 0.8701
448 5VM 0.8698
449 N7I 0.8698
450 P7V 0.8697
451 E4P 0.8697
452 LZ5 0.8696
453 4FF 0.8695
454 BBK 0.8694
455 PA5 0.8694
456 SSB 0.8694
457 L22 0.8693
458 36R 0.8692
459 7UC 0.8692
460 3C5 0.8688
461 AEF 0.8688
462 54E 0.8686
463 S7S 0.8686
464 4XF 0.8686
465 PTB 0.8686
466 H4E 0.8685
467 SYD 0.8681
468 DEZ 0.8679
469 DHC 0.8679
470 5GU 0.8677
471 PLP 0.8677
472 DHR 0.8677
473 ET2 0.8674
474 6C5 0.8674
475 FUD 0.8674
476 FER 0.8672
477 613 0.8672
478 AKG 0.8671
479 4P5 0.8670
480 0J4 0.8669
481 ZSP 0.8669
482 TSS 0.8664
483 2O6 0.8663
484 PQS 0.8662
485 6HO 0.8661
486 5DS 0.8661
487 D9Z 0.8661
488 3DM 0.8659
489 14N 0.8656
490 OA1 0.8655
491 SOR 0.8654
492 4V2 0.8653
493 TWO 0.8651
494 FZ0 0.8650
495 DQU 0.8648
496 E79 0.8646
497 GDL 0.8644
498 4ZA 0.8644
499 QX4 0.8640
500 1M2 0.8639
501 44V 0.8636
502 LDP 0.8635
503 MGB 0.8632
504 AMR 0.8630
505 EPR 0.8628
506 D6P 0.8627
507 2JX 0.8627
508 OCZ 0.8625
509 IOS 0.8624
510 PHB 0.8624
511 61M 0.8622
512 CS2 0.8619
513 KTJ 0.8619
514 2KA 0.8618
515 DER 0.8615
516 TJM 0.8615
517 SQG 0.8613
518 VGS 0.8613
519 DDU 0.8613
520 N2M 0.8610
521 V2Z 0.8609
522 2F6 0.8606
523 NAL 0.8600
524 A6Z 0.8598
525 7MX 0.8598
526 HNE 0.8596
527 GNM 0.8594
528 PAB 0.8594
529 DTY 0.8591
530 NPO 0.8591
531 J9Q 0.8590
532 1A7 0.8590
533 1HR 0.8587
534 0FK 0.8586
535 Z82 0.8586
536 6C9 0.8583
537 HA5 0.8582
538 P72 0.8579
539 CCU 0.8576
540 4Z3 0.8576
541 HHH 0.8575
542 S62 0.8573
543 PMP 0.8571
544 PRF 0.8566
545 M4E 0.8566
546 PBN 0.8559
547 174 0.8557
548 S7D 0.8555
549 DNA 0.8552
550 AC6 0.8550
551 4HP 0.8541
552 4MA 0.8537
553 G6Q 0.8537
554 FCD 0.8532
555 S6P 0.8524
556 QMR 0.8520
557 YE7 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FDW; Ligand: D3G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2fdw.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FDW; Ligand: D3G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2fdw.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2FDW; Ligand: D3G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2fdw.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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