Receptor
PDB id Resolution Class Description Source Keywords
3kpc 1.79 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CBS DOMAIN PAIR OF PROTEIN MJ0100 IN COMPLEX WITH 5 -METHYLTHIOADENOSINE AND S-ADENOSYL-L- M ETHIONINE METHANOCALDOCOCCUS JANNASCHII CBS DOMAIN; S-ADENOSYLMETHIONINE; CONFORMATIONAL CHANGE CBSDOMAIN UNKNOWN FUNCTION
Ref.: BINDING OF S-METHYL-5'-THIOADENOSINE AND S-ADENOSYL-L-METHIONINE TO PROTEIN MJ0100 TRIGGERS AN OPEN-TO-CLOSED CONFORMATIONAL CHANGE IN ITS CBS MOTIF PAIR. J.MOL.BIOL. V. 396 800 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MTA A:3615;
 Valid;
 none;
 submit data
297.334 C11 H15 N5 O3 S CSC[C...
SAM A:1000;
 Valid;
 none;
 submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KPB 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CBS DOMAIN PAIR OF PROTEIN MJ0100 IN COMPLEX WITH 5 -METHYLTHIOADENOSINE AND S-ADENOSYL-L- M ETHIONINE. METHANOCALDOCOCCUS JANNASCHII CBS DOMAIN S-ADENOSYLMETHIONINE CONFORMATIONAL CHANGE UNKNOWN FUNCTION
Ref.: BINDING OF S-METHYL-5'-THIOADENOSINE AND S-ADENOSYL-L-METHIONINE TO PROTEIN MJ0100 TRIGGERS AN OPEN-TO-CLOSED CONFORMATIONAL CHANGE IN ITS CBS MOTIF PAIR. J.MOL.BIOL. V. 396 800 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3KPB - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3KPB - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3KPB - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MTA; Similar ligands found: 324
No: Ligand ECFP6 Tc MDL keys Tc
1 MTA 1 1
2 DTA 0.786885 0.867647
3 3DH 0.777778 0.938462
4 RAB 0.758621 0.878788
5 XYA 0.758621 0.878788
6 ADN 0.758621 0.878788
7 DSH 0.705882 0.84507
8 5N5 0.704918 0.878788
9 A4D 0.693548 0.907692
10 5CD 0.693548 0.892308
11 EP4 0.6875 0.939394
12 M2T 0.676923 0.940298
13 A7D 0.657534 0.882353
14 5X8 0.64 0.895522
15 5AD 0.639344 0.857143
16 A 0.628571 0.794521
17 LMS 0.628571 0.719512
18 ZAS 0.628571 0.816901
19 AMP 0.628571 0.794521
20 A5D 0.623377 0.867647
21 SAH 0.615385 0.869565
22 J7C 0.60274 0.794521
23 ABM 0.60274 0.821918
24 45A 0.60274 0.821918
25 AAT 0.6 0.797297
26 AMP MG 0.597222 0.805556
27 6RE 0.597222 0.783784
28 SRA 0.597222 0.776316
29 S4M 0.594595 0.84
30 AOC 0.589041 0.880597
31 MAO 0.586667 0.805195
32 S8M 0.583333 0.833333
33 A3N 0.581081 0.867647
34 A2D 0.581081 0.773333
35 5AS 0.578947 0.697674
36 GJV 0.573333 0.773333
37 NWW 0.567164 0.815385
38 BA3 0.565789 0.773333
39 AP2 0.565789 0.74359
40 A12 0.565789 0.74359
41 M33 0.564103 0.810811
42 MHZ 0.564103 0.805195
43 AU1 0.564103 0.753247
44 ADX 0.564103 0.719512
45 ADP 0.558442 0.773333
46 B4P 0.558442 0.773333
47 AP5 0.558442 0.773333
48 7D7 0.553846 0.794118
49 Y3J 0.552239 0.80303
50 SON 0.551282 0.74359
51 ADP MG 0.551282 0.794521
52 ADP BEF 0.551282 0.794521
53 AT4 0.551282 0.766234
54 AN2 0.551282 0.763158
55 SXZ 0.550562 0.849315
56 PRX 0.55 0.8
57 A6D 0.545455 0.766234
58 CA0 0.544304 0.753247
59 SA8 0.54321 0.873239
60 AD9 0.54321 0.753247
61 EEM 0.542169 0.849315
62 ATP 0.5375 0.773333
63 SFG 0.5375 0.826087
64 KG4 0.5375 0.753247
65 H1Q 0.5375 0.783784
66 ACP 0.5375 0.753247
67 HEJ 0.5375 0.773333
68 50T 0.5375 0.763158
69 AR6 0.530864 0.773333
70 AQP 0.530864 0.773333
71 5FA 0.530864 0.773333
72 APC 0.530864 0.74359
73 APR 0.530864 0.773333
74 ANP 0.53012 0.753247
75 SAM 0.53012 0.875
76 SMM 0.529412 0.84
77 3AM 0.527027 0.756757
78 NEC 0.526316 0.823529
79 AGS 0.52439 0.75641
80 APC MG 0.52439 0.773333
81 ADV 0.52439 0.74359
82 RBY 0.52439 0.74359
83 ADP PO3 0.52439 0.794521
84 ATP MG 0.52439 0.794521
85 8LE 0.52381 0.75641
86 5AL 0.52381 0.786667
87 V2G 0.52381 0.716049
88 VMS 0.523256 0.705882
89 54H 0.523256 0.705882
90 3AD 0.521739 0.863636
91 MTH 0.520548 0.984127
92 SAI 0.518072 0.830986
93 BEF ADP 0.518072 0.773333
94 G5A 0.518072 0.678161
95 A5A 0.517647 0.722892
96 ME8 0.516484 0.797468
97 NWQ 0.513514 0.846154
98 GAP 0.511905 0.753247
99 TAT 0.511905 0.766234
100 ACQ 0.511905 0.753247
101 T99 0.511905 0.766234
102 S7M 0.511628 0.824324
103 8LH 0.511628 0.789474
104 8QN 0.511364 0.786667
105 9ZA 0.511364 0.769231
106 9ZD 0.511364 0.769231
107 CC5 0.507463 0.876923
108 A3G 0.506494 0.828571
109 A3P 0.506329 0.77027
110 HQG 0.505747 0.763158
111 52H 0.505747 0.697674
112 NVA LMS 0.5 0.693182
113 VO4 ADP 0.5 0.753247
114 KY2 0.5 0.776316
115 ATF 0.5 0.74359
116 MAP 0.5 0.734177
117 ALF ADP 0.5 0.734177
118 MTP 0.5 0.828571
119 8LQ 0.5 0.789474
120 7D5 0.5 0.714286
121 ANP MG 0.5 0.763158
122 53H 0.5 0.697674
123 DAL AMP 0.5 0.786667
124 TSB 0.5 0.714286
125 QA7 0.5 0.779221
126 8X1 0.5 0.655556
127 U4Y 0.494949 0.833333
128 5SV 0.494382 0.759494
129 25A 0.494382 0.773333
130 6YZ 0.494253 0.753247
131 SRP 0.494253 0.74359
132 V47 0.494253 0.838235
133 SSA 0.494253 0.678161
134 2AM 0.493333 0.746667
135 26A 0.492958 0.867647
136 A3R 0.488889 0.725
137 PAJ 0.488889 0.75
138 LSS 0.488889 0.701149
139 KYB 0.488889 0.776316
140 A1R 0.488889 0.725
141 ADQ 0.488889 0.753247
142 DSZ 0.488889 0.678161
143 0UM 0.488889 0.810811
144 N5O 0.487179 0.788732
145 KL2 0.486486 0.72
146 3OD 0.483871 0.776316
147 62X 0.483516 0.815789
148 AHX 0.483516 0.716049
149 K2H 0.483516 0.911765
150 5CA 0.483146 0.678161
151 A22 0.483146 0.763158
152 2VA 0.481928 0.855072
153 A3T 0.481928 0.880597
154 SP1 0.480519 0.75
155 RP1 0.480519 0.75
156 3D1 0.478873 0.8
157 3L1 0.478873 0.8
158 LEU LMS 0.478261 0.709302
159 9X8 0.478261 0.779221
160 K15 0.478261 0.813333
161 OAD 0.478261 0.776316
162 QXP 0.477778 0.702381
163 OZV 0.477778 0.773333
164 GEK 0.477778 0.833333
165 OOB 0.477778 0.763158
166 A3S 0.47561 0.84058
167 N5A 0.475 0.785714
168 OVE 0.474359 0.74026
169 K2K 0.473118 0.808219
170 P5A 0.473118 0.648352
171 PR8 0.473118 0.698795
172 NSS 0.472527 0.678161
173 AMO 0.472527 0.74359
174 4AD 0.472527 0.734177
175 6MD 0.472222 0.893939
176 2FA 0.472222 0.816901
177 NOC 0.471429 0.791045
178 NVA 2AD 0.470588 0.833333
179 A2P 0.469136 0.756757
180 2BA 0.469136 0.767123
181 CMP 0.469136 0.777778
182 TXA 0.468085 0.766234
183 9K8 0.468085 0.674157
184 1ZZ 0.468085 0.731707
185 PTJ 0.468085 0.759494
186 QQX 0.467532 0.714286
187 DLL 0.467391 0.763158
188 00A 0.467391 0.725
189 JNT 0.467391 0.753247
190 5F1 0.465753 0.782609
191 KY5 0.463158 0.819444
192 MYR AMP 0.463158 0.731707
193 3UK 0.462366 0.753247
194 QXG 0.462366 0.694118
195 ADP BMA 0.462366 0.753247
196 ACK 0.461538 0.739726
197 QQY 0.461538 0.723684
198 B5V 0.457447 0.74359
199 R2V 0.457447 0.702381
200 LAD 0.457447 0.707317
201 KY8 0.457447 0.797297
202 GSU 0.457447 0.678161
203 WAQ 0.457447 0.725
204 KAA 0.457447 0.655556
205 PPS 0.454545 0.698795
206 B5Y 0.453608 0.75641
207 KMQ 0.453608 0.766234
208 B5M 0.453608 0.75641
209 PAP 0.453488 0.76
210 FYA 0.452632 0.763158
211 BIS 0.452632 0.725
212 NB8 0.452632 0.716049
213 JB6 0.452632 0.746835
214 1DA 0.452055 0.878788
215 KYE 0.44898 0.75641
216 K3H 0.44898 0.873239
217 XAH 0.44898 0.690476
218 SO8 0.448276 0.869565
219 VRT 0.448276 0.84507
220 25L 0.447917 0.763158
221 KB1 0.447917 0.786667
222 4UV 0.444444 0.734177
223 9SN 0.443299 0.716049
224 K38 0.443299 0.830986
225 NX8 0.443182 0.783784
226 V3L 0.443182 0.773333
227 NWZ 0.44186 0.77027
228 LAQ 0.441176 0.710843
229 7D3 0.439024 0.696203
230 FA5 0.438776 0.74359
231 ATP A 0.438776 0.783784
232 K3K 0.438776 0.830986
233 ATP A A A 0.438776 0.783784
234 8PZ 0.438776 0.678161
235 J1A 0.4375 0.740741
236 LPA AMP 0.436893 0.710843
237 J1C 0.435897 0.67033
238 GA7 0.435644 0.789474
239 AFH 0.435644 0.707317
240 7MD 0.435644 0.690476
241 4UU 0.435644 0.734177
242 J1B 0.434783 0.67033
243 K2W 0.434343 0.786667
244 B1U 0.434343 0.641304
245 YSA 0.434343 0.678161
246 4UW 0.432692 0.75
247 TXD 0.432692 0.746835
248 ARJ 0.432432 0.776119
249 MCF 0.432099 0.842857
250 GTA 0.431373 0.731707
251 KXW 0.431373 0.797297
252 TAD 0.431373 0.728395
253 4YB 0.431373 0.662921
254 KH3 0.431373 0.802632
255 AMP DBH 0.43 0.753247
256 K3E 0.43 0.819444
257 IVH 0.428571 0.813333
258 HZ2 0.427184 0.776316
259 AHZ 0.427184 0.731707
260 3NZ 0.427083 0.833333
261 G3A 0.425743 0.716049
262 7C5 0.425743 0.773333
263 2A5 0.425287 0.708861
264 ERJ 0.425 0.835821
265 AP0 0.424528 0.7375
266 Q2M 0.424528 0.8
267 L3W 0.424528 0.74359
268 7MC 0.424528 0.694118
269 TT8 0.423913 0.898551
270 48N 0.423077 0.7375
271 YLP 0.423077 0.694118
272 KOY 0.423077 0.805556
273 H73 0.422764 0.663043
274 CNA 0.422018 0.74359
275 ARG AMP 0.421569 0.682353
276 G5P 0.421569 0.716049
277 AR6 AR6 0.421569 0.773333
278 ATR 0.420455 0.746667
279 101 0.419753 0.714286
280 D3Y 0.419355 0.816901
281 EU9 0.419048 0.722892
282 NAI 0.419048 0.725
283 NAX 0.419048 0.698795
284 HY8 0.419048 0.776316
285 DND 0.419048 0.74359
286 6V0 0.419048 0.716049
287 7D4 0.418605 0.696203
288 DQV 0.417476 0.763158
289 KF5 0.416667 0.614286
290 TXE 0.415094 0.725
291 649 0.415094 0.648352
292 OMR 0.415094 0.722892
293 DA 0.414634 0.714286
294 D5M 0.414634 0.714286
295 CUU 0.413793 0.75
296 ADJ 0.412844 0.702381
297 T5A 0.412844 0.694118
298 139 0.412844 0.698795
299 J4G 0.412371 0.734177
300 Q34 0.411215 0.75641
301 NAD IBO 0.411215 0.773333
302 8Q2 0.411215 0.655556
303 YLB 0.411215 0.714286
304 F0P 0.411215 0.797297
305 YLC 0.411215 0.710843
306 NAD TDB 0.411215 0.773333
307 J1D 0.410714 0.628866
308 OZP 0.409524 0.797297
309 AYB 0.409091 0.705882
310 A2R 0.408602 0.763158
311 A4P 0.407407 0.659091
312 UP5 0.40566 0.734177
313 F2R 0.405405 0.674419
314 6MZ 0.404762 0.808219
315 IOT 0.40367 0.666667
316 6CR 0.402597 0.805556
317 TYM 0.401869 0.74359
318 ALF ADP 3PG 0.401869 0.707317
319 AF3 ADP 3PG 0.401869 0.707317
320 N37 0.401869 0.780822
321 WSA 0.401869 0.686047
322 4TA 0.401786 0.702381
323 Q2V 0.4 0.786667
324 YLA 0.4 0.674419
Ligand no: 2; Ligand: SAM; Similar ligands found: 246
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 EU9 0.537037 0.809524
21 DTA 0.536585 0.789474
22 62X 0.535354 0.884615
23 MTA 0.53012 0.875
24 3DH 0.517647 0.849315
25 AMP MG 0.517241 0.7375
26 5AL 0.510417 0.743902
27 VMS 0.510204 0.673913
28 54H 0.510204 0.673913
29 0UM 0.51 0.857143
30 NWW 0.506173 0.739726
31 LMS 0.505747 0.666667
32 AMP 0.505747 0.707317
33 A 0.505747 0.707317
34 45A 0.505618 0.753086
35 ABM 0.505618 0.753086
36 A5A 0.505155 0.688889
37 SSA 0.5 0.684783
38 5AD 0.5 0.75
39 SON 0.5 0.746988
40 6RE 0.5 0.78481
41 SRP 0.5 0.746988
42 K15 0.5 0.883117
43 LSS 0.49505 0.706522
44 CA0 0.494624 0.714286
45 AP2 0.494505 0.705882
46 A12 0.494505 0.705882
47 ME8 0.490385 0.841463
48 TSB 0.49 0.681319
49 5CA 0.49 0.684783
50 DAL AMP 0.49 0.765432
51 53H 0.49 0.666667
52 ACP 0.489362 0.694118
53 KG4 0.489362 0.714286
54 ADP 0.48913 0.690476
55 5AS 0.48913 0.648936
56 J7C 0.488889 0.772152
57 A2D 0.488889 0.690476
58 ZAS 0.488636 0.769231
59 8QN 0.485149 0.743902
60 9ZD 0.485149 0.729412
61 9ZA 0.485149 0.729412
62 8LH 0.484848 0.746988
63 GAP 0.484536 0.73494
64 AN2 0.483871 0.682353
65 A3S 0.483871 0.813333
66 ADP BEF 0.483871 0.728395
67 ADP MG 0.483871 0.728395
68 A7D 0.483871 0.851351
69 GJV 0.483516 0.775
70 SRA 0.483146 0.694118
71 GSU 0.480769 0.722222
72 KAA 0.480769 0.698925
73 LAD 0.480769 0.752941
74 DSZ 0.480392 0.703297
75 AMO 0.480392 0.746988
76 52H 0.48 0.666667
77 8LE 0.479592 0.717647
78 APC MG 0.479167 0.731707
79 M33 0.478723 0.722892
80 BA3 0.478261 0.690476
81 MAO 0.478261 0.82716
82 AOC 0.477778 0.776316
83 NEC 0.477778 0.75
84 DSH 0.477778 0.842105
85 SXZ 0.47619 0.894737
86 NVA LMS 0.475728 0.736264
87 AHX 0.475728 0.701149
88 Y3J 0.47561 0.706667
89 8LQ 0.475248 0.768293
90 QA7 0.475248 0.738095
91 G5A 0.474227 0.684783
92 A3T 0.473684 0.8
93 B4P 0.473118 0.690476
94 AP5 0.473118 0.690476
95 A3N 0.472527 0.766234
96 KB1 0.471698 0.833333
97 LEU LMS 0.471154 0.752809
98 PRX 0.46875 0.73494
99 APC 0.46875 0.705882
100 AT4 0.468085 0.686047
101 4AD 0.466019 0.759036
102 PAJ 0.466019 0.712644
103 NWQ 0.465909 0.767123
104 V2G 0.464646 0.701149
105 ATP MG 0.463918 0.728395
106 ADP PO3 0.463918 0.728395
107 ADV 0.463918 0.72619
108 RBY 0.463918 0.72619
109 ADX 0.463158 0.666667
110 MHZ 0.463158 0.82716
111 AU1 0.463158 0.674419
112 NB8 0.462264 0.72093
113 TXA 0.462264 0.72619
114 A3G 0.461538 0.802632
115 ANP MG 0.46 0.702381
116 VO4 ADP 0.46 0.694118
117 BEF ADP 0.459184 0.710843
118 VRT 0.459184 0.842105
119 XAH 0.458716 0.715909
120 KYE 0.458716 0.802469
121 YSA 0.458716 0.684783
122 50T 0.458333 0.682353
123 ATP 0.458333 0.690476
124 H1Q 0.458333 0.719512
125 HEJ 0.458333 0.690476
126 7D7 0.45679 0.723684
127 V47 0.455446 0.810811
128 KH3 0.455357 0.871795
129 ACQ 0.454545 0.694118
130 AR6 0.453608 0.710843
131 APR 0.453608 0.710843
132 5FA 0.453608 0.690476
133 AQP 0.453608 0.690476
134 NSS 0.451923 0.703297
135 FA5 0.449541 0.746988
136 AGS 0.44898 0.678161
137 A5D 0.44898 0.789474
138 AD9 0.44898 0.674419
139 PTJ 0.448598 0.72093
140 YLB 0.448276 0.758621
141 YLP 0.447368 0.738636
142 OZP 0.447368 0.844156
143 8X1 0.446602 0.680851
144 D3Y 0.446602 0.792208
145 N5O 0.445652 0.789474
146 ALF ADP 0.445545 0.678161
147 3AM 0.444444 0.674699
148 MYR AMP 0.444444 0.776471
149 HY8 0.443478 0.822785
150 OAD 0.443396 0.73494
151 2VA 0.443299 0.779221
152 KXW 0.442478 0.844156
153 QXP 0.442308 0.67033
154 S8M 0.442308 0.831169
155 OOB 0.442308 0.722892
156 6YZ 0.441176 0.694118
157 T99 0.44 0.686047
158 ANP 0.44 0.674419
159 TAT 0.44 0.686047
160 N37 0.439655 0.828947
161 WAQ 0.439252 0.75
162 HZ2 0.438596 0.822785
163 8PZ 0.436364 0.684783
164 B5Y 0.436364 0.717647
165 N5A 0.43617 0.786667
166 F0P 0.435897 0.844156
167 YLC 0.435897 0.755814
168 AAT 0.435644 0.797468
169 1ZZ 0.435185 0.755814
170 3OD 0.435185 0.73494
171 9K8 0.435185 0.663158
172 NVA 2AD 0.434343 0.855263
173 00A 0.433962 0.689655
174 DLL 0.433962 0.722892
175 7MD 0.433628 0.715909
176 ARG AMP 0.433628 0.727273
177 ATF 0.431373 0.666667
178 SO8 0.43 0.792208
179 A6D 0.429907 0.72619
180 QXG 0.429907 0.663043
181 9X8 0.429907 0.717647
182 3UK 0.429907 0.714286
183 F2R 0.429752 0.7
184 OZV 0.428571 0.690476
185 AMP DBH 0.428571 0.714286
186 5SV 0.428571 0.741176
187 TYM 0.42735 0.746988
188 WSA 0.42735 0.692308
189 9SN 0.427273 0.681818
190 AHZ 0.426087 0.755814
191 PR8 0.425926 0.744186
192 B5V 0.425926 0.705882
193 J4G 0.425926 0.759036
194 3NZ 0.425926 0.807692
195 P5A 0.425926 0.691489
196 R2V 0.425926 0.67033
197 A1R 0.424528 0.709302
198 2A5 0.424242 0.674419
199 Q34 0.423729 0.802469
200 7MC 0.423729 0.719101
201 Q2M 0.423729 0.846154
202 B5M 0.423423 0.717647
203 HQG 0.423077 0.702381
204 U4Y 0.422414 0.88
205 7D5 0.422222 0.658824
206 JB6 0.422018 0.709302
207 FYA 0.422018 0.722892
208 AYB 0.421488 0.75
209 JNT 0.420561 0.694118
210 K2H 0.420561 0.805195
211 B1U 0.419643 0.632653
212 MAP 0.419048 0.659091
213 KY2 0.419048 0.777778
214 A22 0.419048 0.682353
215 2AM 0.417582 0.666667
216 TAD 0.417391 0.712644
217 ADP BMA 0.416667 0.714286
218 A3P 0.416667 0.686747
219 25A 0.415094 0.690476
220 Q2V 0.413223 0.833333
221 YLA 0.413223 0.719101
222 K2K 0.412844 0.807692
223 8Q2 0.411765 0.663158
224 KYB 0.411215 0.777778
225 A3R 0.411215 0.709302
226 ADQ 0.411215 0.694118
227 KMQ 0.410714 0.72619
228 48N 0.410256 0.72093
229 0XU 0.41 0.824324
230 GA7 0.408696 0.72619
231 K3H 0.40708 0.775
232 7D3 0.40625 0.643678
233 PAP 0.405941 0.678571
234 DQV 0.405172 0.702381
235 OVE 0.404255 0.662791
236 4UV 0.403509 0.697674
237 ALF ADP 3PG 0.403361 0.712644
238 AF3 ADP 3PG 0.403361 0.712644
239 Q2P 0.403226 0.802469
240 3AD 0.402299 0.783784
241 2BA 0.402062 0.682927
242 CMP 0.402062 0.691358
243 K38 0.401786 0.7375
244 NAD TDB 0.4 0.731707
245 7C5 0.4 0.731707
246 NAD IBO 0.4 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: MTA; Similar ligands found: 422
No: Ligand Similarity coefficient
1 MTM 1.0000
2 MTI 0.9853
3 TBN 0.9783
4 IMH 0.9771
5 FMC 0.9756
6 9DI 0.9753
7 NOS 0.9743
8 AD3 0.9739
9 FMB 0.9735
10 5FD 0.9722
11 UA2 0.9705
12 FM1 0.9685
13 DBM 0.9669
14 TAL 0.9667
15 PRH 0.9608
16 HPR 0.9608
17 GMP 0.9568
18 FTU 0.9566
19 EKH 0.9559
20 FM2 0.9559
21 IMG 0.9559
22 AFX 0.9549
23 MDR 0.9526
24 PUR 0.9523
25 8OX 0.9519
26 5NB 0.9518
27 5ID 0.9518
28 RPP 0.9517
29 4UO 0.9516
30 N8M 0.9499
31 SNI 0.9489
32 CFE 0.9459
33 3BH 0.9407
34 DNB 0.9403
35 MG7 0.9390
36 2FD 0.9359
37 TDI 0.9356
38 GNG 0.9349
39 CL9 0.9342
40 Z8B 0.9340
41 IMP 0.9327
42 5I5 0.9317
43 FMP 0.9299
44 MZR 0.9267
45 5UD 0.9262
46 C1Y 0.9254
47 3Q0 0.9252
48 DCF 0.9247
49 13A 0.9244
50 EO7 0.9234
51 F01 0.9233
52 RFZ 0.9228
53 5GP 0.9223
54 IRP 0.9220
55 AS 0.9216
56 THM 0.9209
57 NNR 0.9204
58 URI 0.9201
59 TIZ 0.9195
60 CTN 0.9193
61 G 0.9186
62 RBV 0.9184
63 71V 0.9175
64 XMP 0.9173
65 HO4 0.9170
66 B86 0.9168
67 TO1 0.9162
68 BMC 0.9154
69 8OP 0.9146
70 IMU 0.9144
71 7CI 0.9142
72 8HG 0.9133
73 CDY 0.9133
74 DI 0.9112
75 15Q 0.9075
76 TMC 0.9066
77 6CG 0.9066
78 I5A 0.9064
79 UUA 0.9062
80 DGP 0.9057
81 5BT 0.9054
82 DG 0.9052
83 TIA 0.9051
84 MCY 0.9050
85 0DN 0.9048
86 G7M 0.9045
87 28A 0.9044
88 3DT 0.9041
89 C2R 0.9036
90 MZP 0.9030
91 XYP XYP 0.9026
92 7G2 0.9025
93 DIH 0.9025
94 8BR 0.9018
95 SCT 0.9017
96 DUR 0.9016
97 TR7 0.9014
98 AMZ 0.9012
99 5MD 0.9011
100 NIA 0.9007
101 H7S 0.9002
102 DCZ 0.8996
103 8GM 0.8988
104 4F0 0.8988
105 TMP 0.8986
106 2TU 0.8977
107 38B 0.8970
108 XYS AZI XYS 0.8968
109 XYS XYS 0.8967
110 HDU 0.8961
111 U 0.8959
112 ZYV 0.8956
113 EAT 0.8953
114 ACE TRP 0.8950
115 PIR 0.8948
116 AHU 0.8945
117 LVY 0.8942
118 LOX XYP 0.8937
119 C 0.8935
120 RVD 0.8935
121 U5P 0.8934
122 TYU 0.8932
123 NIR 0.8932
124 9MK 0.8931
125 6MA 0.8931
126 THU 0.8929
127 IM5 0.8928
128 9ME 0.8925
129 EXX 0.8919
130 VCE 0.8917
131 5AE 0.8911
132 C5P 0.8908
133 NEO 0.8908
134 U14 0.8906
135 SGP 0.8904
136 28B 0.8903
137 CTD 0.8902
138 URD 0.8902
139 SGV 0.8899
140 GPK 0.8894
141 CX5 0.8893
142 6OG 0.8893
143 FNU 0.8892
144 XTS 0.8891
145 PFU 0.8891
146 XEV 0.8889
147 DK4 0.8888
148 581 0.8888
149 5P7 0.8886
150 9UL 0.8880
151 TGW 0.8879
152 IMK 0.8872
153 II4 0.8871
154 2QU 0.8869
155 C4F 0.8866
156 9PP 0.8865
157 93A 0.8864
158 IXG 0.8863
159 MTE 0.8862
160 UFP 0.8862
161 GA2 0.8858
162 BRY 0.8856
163 TKW 0.8854
164 D64 0.8854
165 BGC GAL 0.8852
166 XYP XDN 0.8847
167 XDN XYP 0.8847
168 NYM 0.8846
169 Q2S 0.8843
170 2GE 0.8840
171 JLN 0.8840
172 5CM 0.8840
173 XYP AHR 0.8838
174 NQ7 0.8838
175 XIF XYP 0.8837
176 RVP 0.8836
177 M83 0.8834
178 I0D 0.8834
179 ID2 0.8834
180 CH 0.8830
181 4K2 0.8830
182 IXM 0.8828
183 AZZ 0.8826
184 XIL 0.8824
185 MN QAY 0.8823
186 X29 0.8823
187 NXB 0.8822
188 4I5 0.8821
189 RVC 0.8818
190 GEO 0.8816
191 UX0 0.8814
192 XYS XYP 0.8812
193 4G2 0.8810
194 92O 0.8808
195 16B 0.8802
196 XYP XIF 0.8800
197 5BX 0.8797
198 5FU 0.8796
199 8OG 0.8796
200 JFS 0.8795
201 X2M 0.8791
202 8DA 0.8790
203 OS2 0.8790
204 UMP 0.8790
205 XYP XYS 0.8789
206 7VF 0.8788
207 Q92 0.8788
208 SSI 0.8782
209 72H 0.8780
210 6J3 0.8780
211 XYP XIM 0.8780
212 XDL XYP 0.8779
213 ZJB 0.8777
214 QNI 0.8777
215 F4U 0.8777
216 4GU 0.8772
217 GP0 0.8769
218 6U5 0.8768
219 LU2 0.8767
220 DBS 0.8766
221 PCG 0.8760
222 EF2 0.8759
223 2GD 0.8757
224 145 0.8753
225 TRP 0.8752
226 4MP 0.8752
227 R38 0.8751
228 TVZ 0.8749
229 5HU 0.8747
230 Y70 0.8745
231 DFL 0.8745
232 18E 0.8743
233 UP6 0.8741
234 JSX 0.8739
235 NCN 0.8737
236 1FL 0.8736
237 W29 0.8735
238 7CH 0.8733
239 B5A 0.8733
240 JMQ 0.8733
241 EFX 0.8731
242 FC2 0.8730
243 21E 0.8729
244 TCL 0.8728
245 2QV 0.8728
246 BMP 0.8727
247 1XS 0.8724
248 RVB 0.8723
249 H2U 0.8723
250 6SX 0.8722
251 MHR 0.8720
252 C9B 0.8720
253 A4G 0.8719
254 DU 0.8718
255 5BU 0.8718
256 1SF 0.8717
257 FT3 0.8714
258 ZEB 0.8714
259 SY4 0.8712
260 NMN 0.8711
261 HVE 0.8709
262 DCM 0.8708
263 4EZ 0.8708
264 JO5 0.8705
265 7GY 0.8704
266 1Q4 0.8703
267 0GA 0.8703
268 CTE 0.8702
269 JOB 0.8700
270 ANU 0.8699
271 AV4 0.8698
272 K8W 0.8698
273 NEU 0.8697
274 ZSP 0.8697
275 MBY 0.8696
276 EZB 0.8696
277 7EL 0.8693
278 GF7 0.8693
279 EZN 0.8693
280 DDN 0.8691
281 5V7 0.8691
282 J84 0.8690
283 DC 0.8689
284 5IU 0.8689
285 IA2 0.8687
286 NUP 0.8686
287 DUS 0.8681
288 JF8 0.8680
289 MR6 0.8679
290 BMQ 0.8679
291 272 0.8677
292 JY4 0.8676
293 NE1 0.8676
294 TH4 0.8675
295 S1D 0.8673
296 FT1 0.8670
297 DHZ 0.8669
298 HBI 0.8668
299 NWL 0.8668
300 UMC 0.8667
301 CAR 0.8667
302 R9G 0.8664
303 DDU 0.8660
304 AR3 0.8660
305 4L2 0.8658
306 3RP 0.8657
307 CQW 0.8656
308 M2E 0.8656
309 6SW 0.8654
310 ISX 0.8654
311 TYP 0.8653
312 U4J 0.8653
313 PE2 0.8650
314 M01 0.8650
315 H4B 0.8650
316 6NZ 0.8648
317 AX8 0.8647
318 FT2 0.8645
319 VBC 0.8644
320 WCU 0.8644
321 RK4 0.8643
322 P2G 0.8641
323 P2L 0.8640
324 FN5 0.8640
325 DTE 0.8639
326 MEX 0.8638
327 6SZ 0.8638
328 6TX 0.8637
329 BIO 0.8636
330 T3P 0.8635
331 0OK 0.8634
332 CNU 0.8634
333 147 0.8633
334 NVS 0.8631
335 35G 0.8631
336 1KN 0.8630
337 AOJ 0.8630
338 M16 0.8630
339 9RM 0.8627
340 5YA 0.8625
341 OSY 0.8625
342 27M 0.8624
343 VIB 0.8624
344 C2M 0.8622
345 53X 0.8621
346 BZM 0.8620
347 H75 0.8618
348 7G1 0.8617
349 885 0.8617
350 BRD 0.8615
351 42R 0.8614
352 5GV 0.8611
353 96Z 0.8610
354 ZIQ 0.8609
355 FB4 0.8609
356 M0Y 0.8609
357 UM3 0.8609
358 KS5 0.8608
359 BMA BMA 0.8605
360 5R9 0.8605
361 5JT 0.8604
362 QRP 0.8603
363 Q4G 0.8603
364 K80 0.8603
365 801 0.8601
366 CC6 0.8600
367 0DJ 0.8599
368 5HM 0.8598
369 BGC BGC 0.8598
370 IM4 0.8597
371 Q9T 0.8596
372 DOC 0.8594
373 MMA XYP 0.8593
374 BIG 0.8592
375 H70 0.8592
376 GLC GAL 0.8590
377 UKV 0.8589
378 14Z 0.8588
379 T3S 0.8587
380 774 0.8586
381 C0H 0.8583
382 E44 0.8583
383 16Z 0.8581
384 UL1 0.8580
385 G30 0.8580
386 5E4 0.8580
387 H2B 0.8576
388 T4A 0.8576
389 CZ0 0.8573
390 GAT 0.8570
391 CJZ 0.8570
392 PSU 0.8570
393 PBQ 0.8569
394 5E5 0.8567
395 9W7 0.8562
396 CD9 0.8562
397 M0N 0.8559
398 GFE 0.8557
399 B21 0.8552
400 S0G 0.8551
401 VM7 0.8551
402 AGI 0.8551
403 3WK 0.8550
404 VUP 0.8550
405 VJJ 0.8549
406 SX3 0.8548
407 IMV 0.8547
408 GQE 0.8542
409 QME 0.8535
410 MR5 0.8533
411 2GP 0.8533
412 BGC BMA 0.8532
413 MR4 0.8530
414 OUA 0.8526
415 JO8 0.8524
416 0SY 0.8521
417 BC3 0.8519
418 DCN 0.8519
419 8GP 0.8515
420 KP2 0.8513
421 ZEA 0.8509
422 WV7 0.8509
Ligand no: 2; Ligand: SAM; Similar ligands found: 26
No: Ligand Similarity coefficient
1 TT8 0.9650
2 GDP 0.9145
3 8OD 0.9006
4 NWZ 0.8954
5 IDP 0.8910
6 CUU 0.8833
7 GNH 0.8826
8 KB7 0.8802
9 DTP 0.8779
10 GDP MG 0.8767
11 M7G 0.8755
12 G8D 0.8722
13 DZ4 0.8710
14 GTP 0.8703
15 DAT 0.8676
16 DGT 0.8665
17 GNP 0.8658
18 AV2 0.8650
19 HF7 0.8632
20 DGI 0.8627
21 HDV 0.8586
22 GCP 0.8586
23 TTP 0.8585
24 FZT 0.8567
25 GSP 0.8566
26 CTP 0.8538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KPB; Ligand: SAM; 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: 3kpb.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KPB; Ligand: SAM; 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: 3kpb.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KPB; Ligand: SAM; 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: 3kpb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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