Receptor
PDB id Resolution Class Description Source Keywords
3H0V 2.24 Å EC: 4.1.1.50 HUMAN ADOMETDC WITH 5'-DEOXY-5'-(DIMETHYLSULFONIO) ADENOSINE HOMO SAPIENS ADOMETDC WITH COMPETITIVE SUBSTRATE ANALOGS AUTOCATALYTIC CDECARBOXYLASE LYASE PHOSPHOPROTEIN POLYAMINE BIOSYNTHESIPYRUVATE S-ADENOSYL-L-METHIONINE SCHIFF BASE SPERMIDINE BIOSYNTHESIS ZYMOGEN
Ref.: ROLE OF THE SULFONIUM CENTER IN DETERMINING THE LIG SPECIFICITY OF HUMAN S-ADENOSYLMETHIONINE DECARBOXY BIOCHEMISTRY V. 48 6423 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M2T A:368;
 Valid;
 none;
 ic50 = 15 uM
313.376 C12 H19 N5 O3 S CS(C)...
PUT B:350;
 Valid;
 none;
 submit data
88.151 C4 H12 N2 C(CCN...
PYR A:68;
 Invalid;
 none;
 submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DZ6 1.83 Å EC: 4.1.1.50 HUMAN ADOMETDC WITH 5'-[(4-AMINOOXYBUTYL)METHYLAMINO]-5'DEOX ETHYLADENOSINE HOMO SAPIENS COMPLEXES OF ADOMETDC WITH 8-SUBSTITUTED LIGANDS DECARBOXYLLYASE PYRUVATE S-ADENOSYL-L-METHIONINE SPERMIDINE BIOSYNZYMOGEN
Ref.: NEW INSIGHTS INTO THE DESIGN OF INHIBITORS OF HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE: STUDIES OF ADEN SUBSTITUTION IN STRUCTURAL ANALOGUES OF S-ADENOSYLM J.MED.CHEM. V. 52 1388 2009
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I7B - PUT C4 H12 N2 C(CCN)CN
2 3H0V ic50 = 15 uM M2T C12 H19 N5 O3 S CS(C)C[C@@....
3 3EPB Ka = 10000 M^-1 PUT C4 H12 N2 C(CCN)CN
4 1I72 - PUT C4 H12 N2 C(CCN)CN
5 3DZ4 ic50 = 400 nM C8M C15 H23 N7 O4 Cc1nc2c(nc....
6 3DZ5 - PUT C4 H12 N2 C(CCN)CN
7 1I7C ic50 = 0.4 uM MGB C5 H12 N8 [H]/N=C(N)....
8 3H0W ic50 = 600 nM N8M C13 H20 N6 O3 Cc1nc2c(nc....
9 3DZ6 ic50 = 15 nM M8E C17 H27 N7 O4 C[N@@](CCC....
10 3DZ7 - PUT C4 H12 N2 C(CCN)CN
11 1I79 - PUT C4 H12 N2 C(CCN)CN
12 3EPA Ka = 2000 M^-1 PUT C4 H12 N2 C(CCN)CN
13 3DZ2 ic50 = 70 uM A8M C15 H25 N7 O3 Cc1nc2c(nc....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I7B - PUT C4 H12 N2 C(CCN)CN
2 3H0V ic50 = 15 uM M2T C12 H19 N5 O3 S CS(C)C[C@@....
3 3EPB Ka = 10000 M^-1 PUT C4 H12 N2 C(CCN)CN
4 1I72 - PUT C4 H12 N2 C(CCN)CN
5 3DZ4 ic50 = 400 nM C8M C15 H23 N7 O4 Cc1nc2c(nc....
6 3DZ5 - PUT C4 H12 N2 C(CCN)CN
7 1I7C ic50 = 0.4 uM MGB C5 H12 N8 [H]/N=C(N)....
8 3H0W ic50 = 600 nM N8M C13 H20 N6 O3 Cc1nc2c(nc....
9 3DZ6 ic50 = 15 nM M8E C17 H27 N7 O4 C[N@@](CCC....
10 3DZ7 - PUT C4 H12 N2 C(CCN)CN
11 1I79 - PUT C4 H12 N2 C(CCN)CN
12 3EPA Ka = 2000 M^-1 PUT C4 H12 N2 C(CCN)CN
13 3DZ2 ic50 = 70 uM A8M C15 H25 N7 O3 Cc1nc2c(nc....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I7B - PUT C4 H12 N2 C(CCN)CN
2 3H0V ic50 = 15 uM M2T C12 H19 N5 O3 S CS(C)C[C@@....
3 3EPB Ka = 10000 M^-1 PUT C4 H12 N2 C(CCN)CN
4 1I72 - PUT C4 H12 N2 C(CCN)CN
5 3DZ4 ic50 = 400 nM C8M C15 H23 N7 O4 Cc1nc2c(nc....
6 3DZ5 - PUT C4 H12 N2 C(CCN)CN
7 1I7C ic50 = 0.4 uM MGB C5 H12 N8 [H]/N=C(N)....
8 3H0W ic50 = 600 nM N8M C13 H20 N6 O3 Cc1nc2c(nc....
9 3DZ6 ic50 = 15 nM M8E C17 H27 N7 O4 C[N@@](CCC....
10 3DZ7 - PUT C4 H12 N2 C(CCN)CN
11 1I79 - PUT C4 H12 N2 C(CCN)CN
12 3EPA Ka = 2000 M^-1 PUT C4 H12 N2 C(CCN)CN
13 3DZ2 ic50 = 70 uM A8M C15 H25 N7 O3 Cc1nc2c(nc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M2T; Similar ligands found: 312
No: Ligand ECFP6 Tc MDL keys Tc
1 M2T 1 1
2 ADN 0.741379 0.828571
3 RAB 0.741379 0.828571
4 XYA 0.741379 0.828571
5 S4M 0.720588 0.844156
6 5N5 0.716667 0.828571
7 5CD 0.704918 0.84058
8 A4D 0.704918 0.855072
9 EP4 0.698413 0.941176
10 MTA 0.676923 0.940298
11 DTA 0.661538 0.819444
12 3DH 0.656716 0.884058
13 SAM 0.636364 0.878378
14 5AD 0.622951 0.80597
15 MAO 0.616438 0.765432
16 ZAS 0.614286 0.797297
17 AMP 0.614286 0.753247
18 LMS 0.614286 0.705882
19 A 0.614286 0.753247
20 SMM 0.6125 0.868421
21 S7M 0.6125 0.828947
22 ABM 0.611111 0.779221
23 45A 0.611111 0.779221
24 6RE 0.605634 0.766234
25 SRA 0.605634 0.7375
26 AMP MG 0.605634 0.786667
27 AOC 0.597222 0.830986
28 DSH 0.597222 0.8
29 AP2 0.594595 0.707317
30 A12 0.594595 0.707317
31 A2D 0.589041 0.734177
32 A3N 0.589041 0.819444
33 J7C 0.589041 0.753247
34 5AS 0.586667 0.685393
35 GJV 0.581081 0.75641
36 NWW 0.575758 0.768116
37 BA3 0.573333 0.734177
38 GEK 0.571429 0.837838
39 MHZ 0.571429 0.765432
40 M33 0.571429 0.769231
41 APC MG 0.56962 0.75641
42 B4P 0.565789 0.734177
43 ADP 0.565789 0.734177
44 AP5 0.565789 0.734177
45 ACP 0.564103 0.716049
46 5X8 0.564103 0.84507
47 7D7 0.5625 0.75
48 Y3J 0.560606 0.757143
49 AN2 0.558442 0.725
50 AT4 0.558442 0.728395
51 ADP BEF 0.558442 0.776316
52 SON 0.558442 0.707317
53 A7D 0.558442 0.833333
54 ADP MG 0.558442 0.776316
55 APC 0.556962 0.707317
56 PRX 0.556962 0.759494
57 AU1 0.551282 0.716049
58 ADX 0.551282 0.705882
59 CA0 0.551282 0.716049
60 RBY 0.55 0.707317
61 ADV 0.55 0.707317
62 SA8 0.55 0.826667
63 EEM 0.548781 0.828947
64 H1Q 0.544304 0.766234
65 HEJ 0.544304 0.734177
66 ATP 0.544304 0.734177
67 50T 0.544304 0.725
68 SFG 0.544304 0.780822
69 KG4 0.544304 0.716049
70 APR 0.5375 0.734177
71 AR6 0.5375 0.734177
72 5FA 0.5375 0.734177
73 AQP 0.5375 0.734177
74 ACQ 0.536585 0.716049
75 3AM 0.534247 0.717949
76 A3G 0.533333 0.783784
77 NEC 0.533333 0.777778
78 AGS 0.530864 0.719512
79 ADP PO3 0.530864 0.776316
80 ATP MG 0.530864 0.776316
81 AD9 0.530864 0.716049
82 A5D 0.530864 0.819444
83 5AL 0.53012 0.746835
84 8LE 0.53012 0.7625
85 3AD 0.529412 0.814286
86 SAH 0.52439 0.821918
87 BEF ADP 0.52439 0.75641
88 G5A 0.52439 0.666667
89 SAI 0.52439 0.786667
90 A5A 0.52381 0.709302
91 NWQ 0.520548 0.797101
92 TAT 0.518072 0.728395
93 T99 0.518072 0.728395
94 ANP 0.518072 0.716049
95 GAP 0.518072 0.7375
96 8LH 0.517647 0.75
97 6YZ 0.517647 0.716049
98 KL2 0.513889 0.683544
99 V2G 0.511905 0.682353
100 AAT 0.511905 0.75641
101 54H 0.511628 0.732558
102 VMS 0.511628 0.732558
103 52H 0.511628 0.724138
104 ATF 0.505882 0.707317
105 ANP MG 0.505882 0.746835
106 VO4 ADP 0.505882 0.7375
107 ALF ADP 0.505882 0.719512
108 TSB 0.505747 0.701149
109 8LQ 0.505747 0.75
110 53H 0.505747 0.724138
111 DAL AMP 0.505747 0.769231
112 QA7 0.505747 0.78481
113 V47 0.5 0.791667
114 9ZD 0.5 0.753086
115 SSA 0.5 0.666667
116 5SV 0.5 0.722892
117 8QN 0.5 0.746835
118 SRP 0.5 0.707317
119 9ZA 0.5 0.753086
120 2AM 0.5 0.708861
121 A3S 0.5 0.794521
122 0UM 0.494382 0.769231
123 PAJ 0.494382 0.756098
124 4AD 0.494382 0.719512
125 LSS 0.494382 0.727273
126 HQG 0.494253 0.725
127 A3P 0.493671 0.730769
128 N5O 0.493506 0.746667
129 QQX 0.493333 0.679012
130 CC5 0.492537 0.826087
131 K2H 0.488889 0.861111
132 NVA LMS 0.488889 0.7
133 62X 0.488889 0.820513
134 8X1 0.488636 0.645161
135 KY2 0.488636 0.7375
136 5CA 0.488636 0.666667
137 A22 0.488636 0.725
138 MAP 0.488636 0.698795
139 A3T 0.487805 0.830986
140 ACK 0.486842 0.701299
141 QQY 0.486842 0.6875
142 7D5 0.486486 0.679012
143 K15 0.483516 0.772152
144 LEU LMS 0.483516 0.755814
145 OAD 0.483516 0.7375
146 9X8 0.483516 0.740741
147 25A 0.483146 0.734177
148 OZV 0.483146 0.734177
149 OOB 0.483146 0.725
150 S8M 0.483146 0.789474
151 QXP 0.483146 0.689655
152 N5A 0.481013 0.743243
153 OVE 0.480519 0.703704
154 EU9 0.48 0.729412
155 26A 0.478873 0.871429
156 PR8 0.478261 0.666667
157 K2K 0.478261 0.766234
158 A3R 0.477778 0.690476
159 DSZ 0.477778 0.666667
160 ADQ 0.477778 0.716049
161 NSS 0.477778 0.685393
162 AMO 0.477778 0.707317
163 A1R 0.477778 0.690476
164 KYB 0.477778 0.7375
165 2BA 0.475 0.727273
166 CMP 0.475 0.736842
167 B5M 0.473684 0.719512
168 9K8 0.473118 0.663043
169 SXZ 0.473118 0.853333
170 TXA 0.473118 0.728395
171 1ZZ 0.473118 0.697674
172 ME8 0.473118 0.759036
173 NB8 0.473118 0.682353
174 PTJ 0.473118 0.765432
175 3OD 0.473118 0.7375
176 JNT 0.472527 0.716049
177 DLL 0.472527 0.725
178 AHX 0.472527 0.682353
179 00A 0.472527 0.690476
180 K3H 0.46875 0.826667
181 MYR AMP 0.468085 0.717647
182 RP1 0.467532 0.7125
183 SP1 0.467532 0.7125
184 3UK 0.467391 0.716049
185 ADP BMA 0.467391 0.7375
186 QXG 0.467391 0.681818
187 A6D 0.467391 0.75
188 3D1 0.464789 0.756757
189 MTP 0.464789 0.783784
190 3L1 0.464789 0.756757
191 K38 0.463158 0.786667
192 WAQ 0.462366 0.690476
193 R2V 0.462366 0.689655
194 GSU 0.462366 0.666667
195 KY8 0.462366 0.75641
196 B5V 0.462366 0.707317
197 KAA 0.462366 0.645161
198 LAD 0.462366 0.674419
199 P5A 0.462366 0.638298
200 PAP 0.458824 0.721519
201 2FA 0.458333 0.773333
202 KMQ 0.458333 0.728395
203 6MD 0.458333 0.842857
204 B5Y 0.458333 0.719512
205 K3K 0.458333 0.786667
206 BIS 0.457447 0.690476
207 FYA 0.457447 0.725
208 JB6 0.457447 0.710843
209 A2P 0.45679 0.717949
210 7MC 0.456311 0.662921
211 D3Y 0.455556 0.773333
212 GA7 0.454545 0.75
213 YSA 0.453608 0.666667
214 K2W 0.453608 0.746835
215 KB1 0.452632 0.746835
216 KY5 0.452632 0.776316
217 25L 0.452632 0.725
218 2VA 0.452381 0.859155
219 5F1 0.452055 0.739726
220 K3E 0.44898 0.776316
221 9SN 0.447917 0.682353
222 7D3 0.444444 0.662651
223 FA5 0.443299 0.707317
224 ATP A 0.443299 0.766234
225 ATP A A A 0.443299 0.766234
226 8PZ 0.443299 0.666667
227 PPS 0.443182 0.686047
228 NVA 2AD 0.44186 0.813333
229 7MD 0.44 0.659091
230 B1U 0.438776 0.648936
231 KYE 0.438776 0.719512
232 XAH 0.438776 0.659091
233 1DA 0.438356 0.828571
234 VRT 0.436782 0.8
235 SO8 0.436782 0.847222
236 NOC 0.43662 0.746479
237 DQV 0.435644 0.725
238 TAD 0.435644 0.694118
239 KH3 0.435644 0.7625
240 GTA 0.435644 0.717647
241 AMP DBH 0.434343 0.7375
242 4UV 0.434343 0.698795
243 NX8 0.431818 0.74359
244 V3L 0.431818 0.734177
245 3NZ 0.431579 0.789474
246 AHZ 0.431373 0.717647
247 ERJ 0.43038 0.788732
248 2A5 0.430233 0.674699
249 NWZ 0.430233 0.730769
250 7C5 0.43 0.734177
251 G3A 0.43 0.682353
252 YLB 0.428571 0.681818
253 48N 0.427184 0.702381
254 YLP 0.427184 0.662921
255 U4Y 0.427184 0.789474
256 4UU 0.425743 0.698795
257 AR6 AR6 0.425743 0.75641
258 ARG AMP 0.425743 0.670455
259 AFH 0.425743 0.674419
260 G5P 0.425743 0.682353
261 ATR 0.425287 0.708861
262 7D4 0.423529 0.662651
263 HY8 0.423077 0.7375
264 4UW 0.423077 0.714286
265 UP5 0.423077 0.698795
266 AV2 0.422222 0.670732
267 KXW 0.421569 0.75641
268 4YB 0.421569 0.652174
269 OMR 0.419048 0.689655
270 WSA 0.419048 0.674157
271 ARJ 0.418919 0.732394
272 CUU 0.418605 0.7125
273 COD 0.418182 0.715909
274 HZ2 0.417476 0.7375
275 LAQ 0.417476 0.678161
276 J4G 0.416667 0.698795
277 4TC 0.415094 0.682353
278 YLC 0.415094 0.678161
279 AP0 0.415094 0.702381
280 8Q2 0.415094 0.645161
281 LPA AMP 0.413462 0.697674
282 OZP 0.413462 0.75641
283 KOY 0.413462 0.763158
284 A2R 0.413043 0.725
285 TXD 0.409524 0.710843
286 DND 0.409524 0.728395
287 6V0 0.409524 0.682353
288 NAX 0.409524 0.666667
289 NAI 0.409524 0.690476
290 101 0.407407 0.679012
291 PLP AAD 0.40708 0.758621
292 V1N 0.405941 0.734177
293 649 0.40566 0.638298
294 TXE 0.40566 0.690476
295 AF3 ADP 3PG 0.40566 0.694118
296 N37 0.40566 0.74026
297 TYM 0.40566 0.707317
298 ALF ADP 3PG 0.40566 0.694118
299 T5A 0.40367 0.662921
300 Q2V 0.40367 0.746835
301 F0P 0.401869 0.75641
302 NAD IBO 0.401869 0.75641
303 NAD TDB 0.401869 0.75641
304 L3W 0.401869 0.707317
305 Q2M 0.401869 0.759494
306 Q34 0.401869 0.719512
307 UPA 0.401869 0.690476
308 3AT 0.4 0.7125
309 AYB 0.4 0.674157
310 AFX 0.4 0.662338
311 CNA 0.4 0.728395
312 IVH 0.4 0.772152
Ligand no: 2; Ligand: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 16D 0.636364 0.9
4 N2P 0.636364 0.947368
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Ligands (3D)
Ligand no: 1; Ligand: M2T; Similar ligands found: 37
No: Ligand Similarity coefficient
1 N8M 0.9815
2 MTI 0.9791
3 MTM 0.9747
4 MTH 0.9703
5 IMP 0.9442
6 5NB 0.9398
7 NOS 0.9386
8 5GP 0.9253
9 A8M 0.9162
10 TMP 0.9153
11 O8M 0.9142
12 TAL 0.9131
13 C5P 0.9120
14 U5P 0.9120
15 C 0.9120
16 GMP 0.9114
17 FMC 0.9100
18 8GM 0.9077
19 RFZ 0.9049
20 UMP 0.9033
21 U 0.9030
22 F01 0.8982
23 8OG 0.8977
24 MCY 0.8962
25 THM 0.8876
26 I5A 0.8867
27 B86 0.8842
28 CTN 0.8819
29 0DN 0.8812
30 CAR 0.8794
31 URI 0.8787
32 SGP 0.8765
33 DUR 0.8707
34 2TU 0.8707
35 8HG 0.8700
36 5BT 0.8658
37 AMZ 0.8623
Ligand no: 2; Ligand: PUT; Similar ligands found: 323
No: Ligand Similarity coefficient
1 7CL 1.0000
2 BXO 1.0000
3 ETX 1.0000
4 4HA 1.0000
5 XAP 1.0000
6 PE9 1.0000
7 5BR 0.9969
8 NBN 0.9919
9 9A7 0.9851
10 BUB 0.9821
11 O8Y 0.9809
12 HE2 0.9795
13 BAL 0.9759
14 HP6 0.9754
15 BBU 0.9718
16 3CL 0.9716
17 1KA 0.9706
18 1SP 0.9702
19 BMD 0.9690
20 BUQ 0.9689
21 YIV 0.9687
22 CRD 0.9686
23 PXO 0.9685
24 EGD 0.9663
25 0CL 0.9644
26 BUA 0.9644
27 SGL 0.9642
28 3OH 0.9641
29 9A4 0.9618
30 ABU 0.9613
31 266 0.9606
32 3BB 0.9592
33 3GR 0.9591
34 BU4 0.9590
35 SSN 0.9589
36 FW5 0.9581
37 ITU 0.9568
38 25T 0.9540
39 LEA 0.9539
40 GOL 0.9521
41 SLP 0.9519
42 GXV 0.9513
43 MMU 0.9509
44 SAR 0.9505
45 A8C 0.9489
46 SIN 0.9484
47 MTG 0.9461
48 1DH 0.9452
49 2HA 0.9450
50 MEU 0.9428
51 MSF 0.9427
52 2RA 0.9425
53 MLA 0.9395
54 PG3 0.9371
55 DAV 0.9368
56 2KT 0.9366
57 AOA 0.9364
58 DSS 0.9338
59 DGY 0.9338
60 CYS 0.9336
61 IVA 0.9320
62 ABA 0.9317
63 AAE 0.9314
64 P2D 0.9306
65 C2N 0.9303
66 DCY 0.9299
67 PG0 0.9292
68 MLI 0.9291
69 FUM 0.9285
70 HIU 0.9274
71 DSN 0.9272
72 MLM 0.9271
73 A3B 0.9271
74 SER 0.9267
75 3SS 0.9266
76 D2P 0.9261
77 VKC 0.9259
78 DE2 0.9257
79 MAE 0.9252
80 24T 0.9250
81 MTD 0.9247
82 NMG 0.9241
83 C5J 0.9236
84 PRI 0.9234
85 3PY 0.9233
86 DMG 0.9229
87 NVI 0.9223
88 HE4 0.9220
89 ISU 0.9216
90 HX2 0.9215
91 03W 0.9212
92 DBB 0.9211
93 HTX 0.9211
94 H95 0.9208
95 CHT 0.9206
96 MRY 0.9206
97 4MV 0.9205
98 E60 0.9204
99 SHF 0.9197
100 FJO 0.9195
101 GLY 0.9192
102 OCT 0.9188
103 2HE 0.9187
104 LER 0.9177
105 HYN 0.9172
106 23W 0.9171
107 6NA 0.9168
108 3HR 0.9161
109 HSE 0.9158
110 SHO 0.9155
111 CEJ 0.9155
112 IPU 0.9149
113 HV2 0.9143
114 MZW 0.9141
115 HUI 0.9141
116 BP9 0.9141
117 ETM 0.9139
118 HVQ 0.9133
119 OPE 0.9132
120 HDA 0.9131
121 SMB 0.9122
122 BVC 0.9121
123 TAU 0.9120
124 3HL 0.9120
125 COM 0.9114
126 9X7 0.9110
127 XPO 0.9097
128 BHL 0.9092
129 BHL BHL 0.9092
130 4SD 0.9088
131 EFS 0.9088
132 IHG 0.9086
133 THR 0.9078
134 9YL 0.9074
135 HSM 0.9073
136 VX 0.9069
137 69O 0.9062
138 F3V 0.9060
139 JZ5 0.9058
140 MZ0 0.9053
141 ATO 0.9048
142 DTU 0.9048
143 DTL 0.9044
144 POA 0.9042
145 KG7 0.9042
146 DXX 0.9040
147 DQY 0.9035
148 NVA 0.9031
149 IQ0 0.9030
150 OHG 0.9023
151 8X3 0.9016
152 OSM 0.9011
153 39J 0.9011
154 BVG 0.9009
155 HCS 0.9007
156 OXL 0.9007
157 PPI 0.9002
158 P7I 0.9000
159 BTL 0.8992
160 PGA 0.8989
161 OXD 0.8982
162 2EZ 0.8981
163 GOA 0.8973
164 FAH 0.8966
165 A20 0.8965
166 AKR 0.8965
167 CSS 0.8965
168 1BP 0.8964
169 OKG 0.8961
170 TZC 0.8957
171 R3W 0.8955
172 GLV 0.8950
173 XIX 0.8948
174 PRO 0.8945
175 SMV 0.8944
176 CP 0.8943
177 F50 0.8940
178 NIE 0.8940
179 TFB 0.8940
180 HBR 0.8939
181 1DU 0.8934
182 ORN 0.8932
183 HVB 0.8925
184 BRP 0.8925
185 AMC 0.8924
186 DCL 0.8918
187 PYR 0.8917
188 JBN 0.8915
189 9SB 0.8910
190 C21 0.8908
191 ALO 0.8908
192 2A1 0.8906
193 HAE 0.8905
194 PYC 0.8897
195 MZY 0.8896
196 LAC 0.8896
197 BRJ 0.8894
198 EDO 0.8888
199 COI 0.8885
200 HBS 0.8882
201 FCN 0.8882
202 DAL 0.8874
203 MLT 0.8874
204 2OP 0.8866
205 KIV 0.8860
206 ALA 0.8855
207 VAL 0.8853
208 BAE 0.8852
209 ODV 0.8846
210 PRS 0.8844
211 IOM 0.8843
212 CRN 0.8843
213 CMS 0.8839
214 TEO 0.8838
215 273 0.8836
216 BUO 0.8834
217 CP2 0.8833
218 XRG 0.8830
219 2PC 0.8829
220 TB6 0.8826
221 DTT 0.8824
222 LMR 0.8823
223 NMU 0.8822
224 SAT 0.8822
225 TP5 0.8816
226 DAS 0.8814
227 ASP 0.8812
228 ALQ 0.8807
229 ATQ 0.8804
230 265 0.8801
231 AKB 0.8801
232 FOA 0.8799
233 OAA 0.8798
234 NOE 0.8797
235 1CB 0.8796
236 2MH 0.8796
237 PAE 0.8793
238 7VD 0.8790
239 MPD 0.8789
240 OXM 0.8788
241 PCT 0.8787
242 UGC 0.8785
243 S0H 0.8783
244 ETF 0.8780
245 HBX 0.8775
246 PYF 0.8771
247 DPR 0.8771
248 DCE 0.8769
249 2RH 0.8767
250 SYN 0.8762
251 ASN 0.8761
252 PY7 0.8760
253 BXA 0.8757
254 BML 0.8752
255 DYA 0.8748
256 GUA 0.8748
257 7WG 0.8744
258 TSZ 0.8744
259 HAI 0.8741
260 GXE 0.8740
261 CXL 0.8736
262 ABN 0.8733
263 FPI 0.8732
264 TAN 0.8726
265 MET 0.8722
266 3MT 0.8721
267 HGY 0.8721
268 NAK 0.8713
269 NLE 0.8708
270 6SP 0.8708
271 2A3 0.8708
272 BYZ 0.8707
273 IPH 0.8705
274 1MR 0.8704
275 THE 0.8701
276 LEU 0.8700
277 CNH 0.8700
278 GLY GLY 0.8699
279 MGX 0.8699
280 V1L 0.8693
281 J3K 0.8689
282 UY7 0.8686
283 4CH 0.8684
284 CYH 0.8682
285 PYZ 0.8680
286 TB0 0.8678
287 4MZ 0.8676
288 QPT 0.8670
289 PCA 0.8669
290 282 0.8668
291 2IM 0.8667
292 B24 0.8667
293 3BR 0.8667
294 JYD 0.8667
295 GBL 0.8657
296 NHY 0.8655
297 ES3 0.8652
298 HYP 0.8649
299 PYJ 0.8645
300 VSO 0.8641
301 HZP 0.8633
302 T2C 0.8631
303 PPF 0.8619
304 XBT 0.8619
305 BAQ 0.8617
306 URP 0.8616
307 ICN 0.8606
308 FQI 0.8601
309 1AC 0.8596
310 CB0 0.8596
311 NBE 0.8590
312 ZBT 0.8585
313 PAH 0.8578
314 BHH 0.8573
315 APY 0.8569
316 HPY 0.8565
317 OK7 0.8564
318 CXF 0.8559
319 MMQ 0.8554
320 192 0.8550
321 RSO 0.8546
322 14J 0.8540
323 IZC 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DZ6; Ligand: PUT; 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: 3dz6.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DZ6; Ligand: M8E; 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: 3dz6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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