Receptor
PDB id Resolution Class Description Source Keywords
1JQD 2.28 Å EC: 2.1.1.8 CRYSTAL STRUCTURE ANALYSIS OF HUMAN HISTAMINE METHYLTRANSFER (THR105 POLYMORPHIC VARIANT) COMPLEXED WITH ADOHCY AND HIST HOMO SAPIENS CLASSIC METHYLTRANSFERASE FOLD PROTEIN-SUBSTRATE-COFACTOR CTRANSFERASE
Ref.: TWO POLYMORPHIC FORMS OF HUMAN HISTAMINE METHYLTRAN STRUCTURAL, THERMAL, AND KINETIC COMPARISONS. STRUCTURE V. 9 837 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSM A:600;
B:601;
 Valid;
Valid;
 none;
none;
 submit data
111.145 C5 H9 N3 c1c(n...
SAH A:400;
B:401;
 Valid;
Valid;
 none;
none;
 Ki = 6.9 uM
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQD 2.28 Å EC: 2.1.1.8 CRYSTAL STRUCTURE ANALYSIS OF HUMAN HISTAMINE METHYLTRANSFER (THR105 POLYMORPHIC VARIANT) COMPLEXED WITH ADOHCY AND HIST HOMO SAPIENS CLASSIC METHYLTRANSFERASE FOLD PROTEIN-SUBSTRATE-COFACTOR CTRANSFERASE
Ref.: TWO POLYMORPHIC FORMS OF HUMAN HISTAMINE METHYLTRAN STRUCTURAL, THERMAL, AND KINETIC COMPARISONS. STRUCTURE V. 9 837 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
70% 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 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
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 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HSM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HSM 1 1
2 AHN 0.428571 0.72973
Ligand no: 2; Ligand: SAH; Similar ligands found: 256
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 U4Y 0.64 0.956522
11 SFG 0.635294 0.954545
12 SA8 0.62069 0.915493
13 EEM 0.617977 0.890411
14 MTA 0.615385 0.869565
15 SAI 0.613636 0.955882
16 S7M 0.586957 0.916667
17 36A 0.586538 0.90411
18 K15 0.583333 0.878378
19 ADN 0.573333 0.84058
20 RAB 0.573333 0.84058
21 XYA 0.573333 0.84058
22 62X 0.572917 0.855263
23 5CD 0.571429 0.852941
24 0UM 0.5625 0.876712
25 5N5 0.558442 0.84058
26 A4D 0.551282 0.867647
27 KYE 0.54902 0.866667
28 SAM 0.537634 0.916667
29 SSA 0.536842 0.712644
30 SMM 0.536842 0.88
31 KB1 0.534653 0.902778
32 A5D 0.532609 0.857143
33 SIB 0.53125 0.928571
34 EP4 0.530864 0.819444
35 DSZ 0.530612 0.732558
36 GSU 0.53 0.752941
37 LMS 0.529412 0.694118
38 AMP 0.529412 0.763158
39 A 0.529412 0.763158
40 5CA 0.525773 0.712644
41 ME8 0.524752 0.8125
42 M2T 0.52439 0.821918
43 6RE 0.523256 0.824324
44 GJV 0.522727 0.813333
45 OZP 0.518519 0.915493
46 AAT 0.515789 0.863014
47 LSS 0.515152 0.696629
48 KAA 0.514852 0.727273
49 KXW 0.514019 0.915493
50 NWW 0.5125 0.80597
51 J7C 0.511364 0.835616
52 KG4 0.51087 0.769231
53 A5A 0.510417 0.697674
54 AMP MG 0.505747 0.773333
55 SON 0.505495 0.805195
56 SRP 0.505155 0.805195
57 F0P 0.504505 0.915493
58 KH3 0.5 0.866667
59 HY8 0.5 0.890411
60 CA0 0.5 0.769231
61 AMO 0.5 0.805195
62 54H 0.5 0.681818
63 ADX 0.5 0.694118
64 5AL 0.5 0.779221
65 VMS 0.5 0.681818
66 N37 0.495495 0.9
67 HZ2 0.495413 0.890411
68 NVA LMS 0.49505 0.707865
69 AHX 0.49505 0.753086
70 TSB 0.494949 0.689655
71 53H 0.494949 0.674157
72 G5A 0.494737 0.712644
73 45A 0.494382 0.74359
74 ABM 0.494382 0.74359
75 A2D 0.494382 0.74359
76 ZAS 0.494253 0.808219
77 A6D 0.490196 0.759494
78 GEK 0.49 0.956522
79 8QN 0.49 0.779221
80 GAP 0.489583 0.769231
81 A3S 0.48913 0.884058
82 AN2 0.48913 0.734177
83 S4M 0.488889 0.831169
84 SRA 0.488636 0.746835
85 EU9 0.486486 0.825
86 LAD 0.485437 0.810127
87 52H 0.484848 0.674157
88 V2G 0.484536 0.753086
89 BA3 0.483516 0.74359
90 AP2 0.483516 0.759494
91 A12 0.483516 0.759494
92 AOC 0.483146 0.842857
93 NEC 0.483146 0.788732
94 Y3J 0.481481 0.768116
95 VRT 0.479167 0.861111
96 50T 0.478723 0.734177
97 AP5 0.478261 0.74359
98 ADP 0.478261 0.74359
99 5AS 0.478261 0.655556
100 B4P 0.478261 0.74359
101 Q34 0.477876 0.866667
102 Q2M 0.477876 0.916667
103 A3N 0.477778 0.830986
104 YSA 0.476636 0.712644
105 XAH 0.476636 0.768293
106 8LH 0.474747 0.759494
107 V47 0.474747 0.882353
108 0XU 0.473684 0.897059
109 AT4 0.473118 0.7375
110 ADP MG 0.473118 0.763158
111 ADP BEF 0.473118 0.763158
112 J4G 0.471154 0.818182
113 WAQ 0.471154 0.807692
114 NSS 0.470588 0.712644
115 8LE 0.469388 0.75
116 5AD 0.468354 0.791045
117 AU1 0.468085 0.725
118 M33 0.468085 0.734177
119 MAO 0.467391 0.797468
120 NB8 0.466667 0.775
121 A3G 0.466667 0.871429
122 N5O 0.466667 0.857143
123 TXA 0.466667 0.759494
124 3AM 0.465909 0.727273
125 Q2V 0.465517 0.902778
126 QA7 0.465347 0.75
127 8X1 0.465347 0.707865
128 DAL AMP 0.465347 0.779221
129 8LQ 0.465347 0.782051
130 A3T 0.463158 0.842857
131 ATP 0.463158 0.74359
132 ACP 0.463158 0.746835
133 HEJ 0.463158 0.74359
134 7D7 0.4625 0.785714
135 QXP 0.460784 0.697674
136 9ZA 0.460784 0.740741
137 9ZD 0.460784 0.740741
138 APR 0.458333 0.766234
139 5FA 0.458333 0.74359
140 PRX 0.458333 0.746835
141 APC 0.458333 0.759494
142 AQP 0.458333 0.74359
143 AR6 0.458333 0.766234
144 F2R 0.457627 0.75
145 R2V 0.457143 0.697674
146 IOT 0.456897 0.761905
147 N5A 0.456522 0.855072
148 PAJ 0.456311 0.722892
149 4AD 0.456311 0.794872
150 WSA 0.45614 0.72093
151 HQG 0.455446 0.75641
152 NWQ 0.454545 0.782609
153 Q2P 0.453782 0.866667
154 8PZ 0.453704 0.712644
155 FA5 0.453704 0.805195
156 AGS 0.453608 0.728395
157 APC MG 0.453608 0.766234
158 RBY 0.453608 0.782051
159 ATP MG 0.453608 0.763158
160 AD9 0.453608 0.725
161 ADV 0.453608 0.782051
162 NVA 2AD 0.453608 0.849315
163 ADP PO3 0.453608 0.763158
164 PTJ 0.45283 0.731707
165 MHZ 0.452632 0.797468
166 00A 0.451923 0.740741
167 A3P 0.451613 0.74026
168 YLP 0.451327 0.771084
169 7MD 0.45045 0.768293
170 ALF ADP 0.45 0.707317
171 BEF ADP 0.44898 0.74359
172 2VA 0.447917 0.819444
173 H1Q 0.447917 0.753247
174 LEU LMS 0.447619 0.724138
175 QXG 0.447619 0.689655
176 OOB 0.446602 0.779221
177 ACQ 0.444444 0.746835
178 T99 0.444444 0.7375
179 TAT 0.444444 0.7375
180 ANP 0.444444 0.725
181 P5A 0.443396 0.719101
182 7D5 0.443182 0.708861
183 A1R 0.442308 0.7625
184 YLC 0.439655 0.790123
185 2AM 0.438202 0.717949
186 DLL 0.438095 0.779221
187 ARG AMP 0.4375 0.759036
188 KY2 0.436893 0.84
189 D3Y 0.436893 0.859155
190 A22 0.436893 0.734177
191 ANP MG 0.435644 0.734177
192 VO4 ADP 0.435644 0.725
193 ATF 0.435644 0.716049
194 MYR AMP 0.435185 0.746988
195 80F 0.434426 0.75
196 SO8 0.434343 0.808219
197 OAD 0.433962 0.769231
198 3UK 0.433962 0.769231
199 TAD 0.433628 0.765432
200 25A 0.432692 0.74359
201 6YZ 0.431373 0.746835
202 9SN 0.431193 0.731707
203 TYM 0.431034 0.805195
204 PR8 0.429907 0.8
205 B5V 0.429907 0.759494
206 KYB 0.428571 0.84
207 ADQ 0.428571 0.746835
208 YLB 0.42735 0.771084
209 1ZZ 0.425926 0.746988
210 9K8 0.425926 0.67033
211 3OD 0.425926 0.769231
212 FYA 0.425926 0.779221
213 PPS 0.425743 0.674419
214 JNT 0.424528 0.746835
215 B1U 0.423423 0.638298
216 MAP 0.423077 0.707317
217 4YB 0.421053 0.735632
218 A2P 0.421053 0.727273
219 9X8 0.420561 0.75
220 ADP BMA 0.420561 0.746835
221 OZV 0.419048 0.74359
222 5SV 0.419048 0.731707
223 YLA 0.416667 0.771084
224 3NZ 0.416667 0.824324
225 NX8 0.415842 0.875
226 KL2 0.41573 0.692308
227 8Q2 0.415254 0.688889
228 A3R 0.415094 0.7625
229 B5M 0.414414 0.75
230 B5Y 0.414414 0.75
231 LPA AMP 0.413793 0.768293
232 48N 0.413793 0.753086
233 AYB 0.413223 0.761905
234 ACK 0.413043 0.710526
235 QQY 0.413043 0.696203
236 JB6 0.412844 0.7625
237 BIS 0.412844 0.719512
238 K2H 0.411215 0.797297
239 PAP 0.41 0.730769
240 KY5 0.409091 0.887324
241 DQV 0.408696 0.75641
242 OVE 0.408602 0.7125
243 4UV 0.40708 0.75
244 AMP DBH 0.40708 0.746835
245 3AD 0.406977 0.852941
246 OMR 0.40678 0.738095
247 AF3 ADP 3PG 0.40678 0.743902
248 K38 0.405405 0.797297
249 LAQ 0.405172 0.768293
250 K2K 0.40367 0.875
251 7C5 0.403509 0.789474
252 7MC 0.403361 0.75
253 K3K 0.401786 0.797297
254 KOY 0.401709 0.847222
255 NWZ 0.4 0.861111
256 4UU 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: HSM; Similar ligands found: 872
No: Ligand Similarity coefficient
1 1DU 1.0000
2 PEA 0.9852
3 HY1 0.9848
4 NVI 0.9842
5 FAN 0.9834
6 JBN 0.9798
7 BVG 0.9785
8 JZ7 0.9785
9 CXF 0.9774
10 MZ0 0.9767
11 PEL 0.9756
12 ABU 0.9745
13 49F 0.9741
14 271 0.9735
15 JZ5 0.9719
16 2EZ 0.9719
17 TZC 0.9710
18 FOA 0.9655
19 69O 0.9649
20 CEE 0.9646
21 PYJ 0.9637
22 M6W 0.9637
23 51F 0.9633
24 IZC 0.9633
25 SYN 0.9625
26 BAM 0.9623
27 VKC 0.9622
28 AMC 0.9616
29 SMV 0.9613
30 PY7 0.9604
31 LEA 0.9597
32 HVQ 0.9596
33 ABN 0.9595
34 9X7 0.9587
35 TZE 0.9584
36 BEZ 0.9583
37 PRO 0.9580
38 PYF 0.9578
39 XBT 0.9572
40 NIO 0.9572
41 1MR 0.9571
42 HBX 0.9571
43 OK7 0.9569
44 6PC 0.9567
45 NCA 0.9564
46 9CL 0.9561
47 SPA 0.9558
48 TZL 0.9558
49 ZBT 0.9558
50 PYC 0.9556
51 2PC 0.9551
52 JAB 0.9548
53 BEN 0.9547
54 PZA 0.9545
55 PBC 0.9541
56 7WG 0.9540
57 APY 0.9537
58 DAV 0.9537
59 UNU 0.9536
60 RSO 0.9522
61 FBJ 0.9513
62 268 0.9511
63 NTN 0.9510
64 BVC 0.9508
65 282 0.9506
66 NVA 0.9504
67 PG3 0.9502
68 NBE 0.9496
69 SSN 0.9492
70 NYL 0.9471
71 ORN 0.9470
72 M4T 0.9466
73 273 0.9465
74 HDA 0.9462
75 AC0 0.9461
76 258 0.9460
77 TP5 0.9458
78 QSC 0.9456
79 B24 0.9454
80 PRI 0.9452
81 TFB 0.9450
82 PRA 0.9450
83 ISZ 0.9447
84 HBA 0.9439
85 NBZ 0.9439
86 COI 0.9437
87 PHU 0.9436
88 QY9 0.9435
89 MZW 0.9432
90 BP9 0.9432
91 OHG 0.9432
92 SS2 0.9432
93 I4B 0.9429
94 HSE 0.9427
95 FPI 0.9418
96 PAC 0.9417
97 54D 0.9416
98 DAB 0.9413
99 H8N 0.9413
100 C21 0.9411
101 FEH 0.9403
102 HCS 0.9402
103 M58 0.9399
104 A8C 0.9399
105 9YL 0.9399
106 FW5 0.9397
107 4FA 0.9395
108 DPR 0.9394
109 4VP 0.9394
110 NIZ 0.9390
111 N4B 0.9388
112 URS 0.9377
113 PHB 0.9376
114 VGL 0.9371
115 MLA 0.9370
116 1DQ 0.9369
117 1SP 0.9365
118 ASP 0.9365
119 SIN 0.9364
120 HE2 0.9362
121 OAA 0.9361
122 NLE 0.9357
123 KMT 0.9352
124 MLI 0.9351
125 BHO 0.9350
126 CFI 0.9348
127 TPA 0.9347
128 GJZ 0.9343
129 MRZ 0.9342
130 BNF 0.9337
131 717 0.9337
132 I1E 0.9333
133 BUB 0.9333
134 FP1 0.9329
135 MNN 0.9328
136 1KA 0.9327
137 BNS 0.9324
138 MRY 0.9324
139 BUA 0.9324
140 YRL 0.9323
141 278 0.9321
142 PZI 0.9321
143 SHO 0.9319
144 GOJ 0.9313
145 SS1 0.9310
146 3SS 0.9308
147 YCP 0.9307
148 PCA 0.9307
149 SGL 0.9306
150 BSX 0.9304
151 LT1 0.9299
152 FBA 0.9296
153 CYS 0.9293
154 MUC 0.9292
155 FUM 0.9288
156 6NA 0.9288
157 IXW 0.9288
158 AKG 0.9286
159 ABV 0.9286
160 PIH 0.9285
161 HTX 0.9279
162 BXO 0.9279
163 URO 0.9278
164 NMG 0.9274
165 1DJ 0.9274
166 MAE 0.9273
167 98J 0.9272
168 2CO 0.9270
169 2MI 0.9270
170 BML 0.9267
171 264 0.9261
172 7N0 0.9259
173 2KT 0.9259
174 MED 0.9259
175 LMR 0.9258
176 MLT 0.9257
177 5AC 0.9257
178 HYP 0.9256
179 IHG 0.9255
180 AAE 0.9253
181 THE 0.9247
182 KOJ 0.9247
183 K34 0.9244
184 MET 0.9241
185 BE7 0.9240
186 LER 0.9239
187 280 0.9238
188 PKU 0.9238
189 HIS 0.9237
190 VAH 0.9236
191 UYA 0.9232
192 HSO 0.9231
193 OPE 0.9230
194 FBM 0.9228
195 HZP 0.9228
196 UGC 0.9228
197 SLP 0.9225
198 CSS 0.9224
199 OKG 0.9224
200 ILE 0.9224
201 40E 0.9221
202 AEF 0.9217
203 4JM 0.9217
204 3HL 0.9217
205 DTL 0.9215
206 RBJ 0.9214
207 C5J 0.9213
208 T2C 0.9213
209 UY7 0.9212
210 S2G 0.9211
211 LEU 0.9210
212 2RH 0.9209
213 IT2 0.9209
214 R2B 0.9207
215 265 0.9205
216 IOM 0.9204
217 C2B 0.9201
218 LDU 0.9198
219 XM0 0.9196
220 JZ4 0.9194
221 14J 0.9194
222 OEG 0.9193
223 KIV 0.9190
224 OGA 0.9189
225 3PY 0.9189
226 1LN 0.9188
227 XRG 0.9185
228 TEO 0.9184
229 F9P 0.9183
230 PRY 0.9183
231 DE5 0.9183
232 AX7 0.9177
233 270 0.9177
234 261 0.9175
235 1PT 0.9175
236 ASN 0.9174
237 DMG 0.9172
238 HIO 0.9170
239 4JL 0.9169
240 2LP 0.9167
241 GAG 0.9165
242 23W 0.9160
243 SHF 0.9160
244 IDM 0.9160
245 PAB 0.9157
246 BMD 0.9156
247 N6C 0.9155
248 1DH 0.9151
249 MLM 0.9151
250 MXN 0.9150
251 BAL 0.9149
252 IQ0 0.9149
253 3HR 0.9144
254 ITN 0.9144
255 3OH 0.9143
256 GUA 0.9143
257 E60 0.9142
258 NPO 0.9138
259 1AB 0.9137
260 GLY ALA 0.9137
261 PRS 0.9136
262 SAR 0.9135
263 O8Y 0.9131
264 TLA 0.9131
265 P2D 0.9129
266 EGD 0.9127
267 ITU 0.9125
268 HX2 0.9125
269 JFJ 0.9122
270 DTU 0.9117
271 PMB 0.9116
272 SER 0.9116
273 C2N 0.9115
274 DCY 0.9115
275 4MV 0.9114
276 HGW 0.9112
277 GLU 0.9111
278 CRN 0.9110
279 OXQ 0.9109
280 A20 0.9106
281 JYD 0.9105
282 DYA 0.9103
283 PYZ 0.9103
284 MSF 0.9103
285 Z82 0.9100
286 IVA 0.9099
287 4CH 0.9096
288 YIV 0.9093
289 4HS 0.9093
290 0R0 0.9090
291 S8V 0.9089
292 IOL 0.9088
293 RB5 0.9087
294 XYL 0.9087
295 4JU 0.9084
296 5MI 0.9084
297 MTG 0.9083
298 EDG 0.9082
299 5XC 0.9081
300 ETX 0.9080
301 FB2 0.9080
302 5H1 0.9078
303 DHR 0.9077
304 HHN 0.9077
305 2K4 0.9075
306 MTD 0.9073
307 PUT 0.9073
308 AL0 0.9073
309 XLS 0.9070
310 SSB 0.9069
311 25T 0.9069
312 03W 0.9068
313 DGY 0.9068
314 HL5 0.9065
315 DGN 0.9061
316 9ON 0.9061
317 JZ3 0.9061
318 11S 0.9060
319 6AI 0.9060
320 PAE 0.9060
321 FQI 0.9059
322 BHH 0.9059
323 ABA 0.9056
324 HIU 0.9056
325 14O 0.9055
326 ES9 0.9054
327 5OB 0.9054
328 5MB 0.9053
329 H95 0.9052
330 AHR 0.9051
331 53C 0.9051
332 DQY 0.9050
333 GXE 0.9050
334 DAS 0.9048
335 4JN 0.9047
336 F05 0.9046
337 7C3 0.9045
338 F60 0.9045
339 BYZ 0.9044
340 ACA 0.9042
341 K7M 0.9040
342 173 0.9039
343 OVV 0.9039
344 SMB 0.9038
345 GAB 0.9037
346 R8A 0.9037
347 R1X 0.9037
348 2HG 0.9036
349 1Y6 0.9036
350 1DV 0.9036
351 XIY 0.9031
352 DGL 0.9031
353 P72 0.9031
354 GLN 0.9030
355 1M2 0.9029
356 AC5 0.9029
357 JZ9 0.9029
358 4P5 0.9028
359 DXX 0.9026
360 BZX 0.9024
361 HGQ 0.9024
362 SAL 0.9023
363 DSN 0.9023
364 MSE 0.9022
365 ONL 0.9021
366 4HA 0.9021
367 TTO 0.9020
368 MZG 0.9019
369 DTT 0.9019
370 ES3 0.9019
371 PE9 0.9019
372 IMR 0.9018
373 SNE 0.9017
374 AC6 0.9016
375 BZ3 0.9014
376 PCR 0.9012
377 NBN 0.9012
378 SMN 0.9011
379 J1Z 0.9011
380 P92 0.9010
381 XAP 0.9010
382 GGL 0.9010
383 2IT 0.9010
384 JZ6 0.9008
385 CMS 0.9007
386 C2A 0.9006
387 KG7 0.9006
388 27Y 0.9005
389 AEG 0.9005
390 9RW 0.9004
391 GRO 0.9003
392 4MA 0.9003
393 SRT 0.9003
394 PG0 0.9001
395 3NT 0.9000
396 DMV 0.9000
397 PMF 0.8999
398 SYC 0.8999
399 AOA 0.8999
400 H4N 0.8998
401 47J 0.8998
402 PO6 0.8997
403 IPH 0.8996
404 3HB 0.8995
405 MR1 0.8994
406 FK1 0.8992
407 269 0.8990
408 THR 0.8989
409 2MH 0.8989
410 3SL 0.8989
411 URP 0.8989
412 PBZ 0.8988
413 3OC 0.8987
414 SD4 0.8986
415 INO 0.8986
416 MZY 0.8985
417 4XR 0.8984
418 LG4 0.8984
419 TAR 0.8983
420 ZGL 0.8983
421 MBN 0.8982
422 RBL 0.8982
423 GLY GLY 0.8982
424 60P 0.8980
425 2BG 0.8979
426 3AB 0.8979
427 BUQ 0.8978
428 HBD 0.8978
429 2RA 0.8975
430 5XA 0.8974
431 GBD 0.8974
432 LYS 0.8973
433 NK 0.8973
434 4CL 0.8971
435 BE2 0.8969
436 HY3 0.8969
437 826 0.8969
438 B40 0.8968
439 JAE 0.8968
440 ALO 0.8967
441 6M4 0.8966
442 PGA 0.8965
443 ES6 0.8962
444 4SD 0.8961
445 NMJ 0.8958
446 IND 0.8957
447 NNO 0.8956
448 BU4 0.8954
449 DE2 0.8954
450 R9S 0.8953
451 PXY 0.8950
452 JZ2 0.8949
453 RSF 0.8947
454 3BZ 0.8947
455 JKE 0.8947
456 93B 0.8946
457 B85 0.8946
458 TYL 0.8945
459 SW7 0.8945
460 LDP 0.8944
461 SME 0.8942
462 HHQ 0.8941
463 286 0.8941
464 3OL 0.8941
465 QMP 0.8939
466 HQE 0.8939
467 4WL 0.8939
468 CEJ 0.8938
469 BR9 0.8938
470 MCT 0.8938
471 XUL 0.8937
472 FJO 0.8937
473 R9M 0.8937
474 4HP 0.8936
475 ROR 0.8936
476 4HO 0.8936
477 3U4 0.8935
478 DA1 0.8934
479 EHM 0.8933
480 HEW 0.8933
481 8NY 0.8933
482 4ZA 0.8932
483 CHT 0.8931
484 IPU 0.8929
485 5JC 0.8927
486 2EH 0.8926
487 AML 0.8926
488 0CT 0.8926
489 A3B 0.8925
490 8OZ 0.8925
491 MWJ 0.8925
492 8H8 0.8925
493 JZ1 0.8923
494 16D 0.8923
495 BZI 0.8923
496 1SH 0.8922
497 0V5 0.8921
498 RIB 0.8921
499 PEQ 0.8921
500 DEN 0.8919
501 TH0 0.8919
502 MPI 0.8919
503 ETM 0.8918
504 DHS 0.8918
505 LLQ 0.8917
506 8CL 0.8917
507 PAF 0.8917
508 25R 0.8917
509 CP 0.8915
510 FPN 0.8911
511 3SK 0.8910
512 4JJ 0.8910
513 7A8 0.8909
514 B3R 0.8909
515 PLQ 0.8908
516 GLL 0.8908
517 0R1 0.8907
518 LZ1 0.8907
519 AG2 0.8907
520 HPS 0.8905
521 J9T 0.8905
522 2AL 0.8905
523 HX3 0.8905
524 8GC 0.8904
525 3CH 0.8904
526 FK8 0.8903
527 4MZ 0.8902
528 5HN 0.8900
529 PIM 0.8899
530 J0Z 0.8898
531 7MU 0.8898
532 SHA 0.8897
533 VAL 0.8894
534 CIZ 0.8894
535 MPD 0.8893
536 GVH 0.8892
537 3QM 0.8891
538 4CS 0.8891
539 M3T 0.8890
540 K6H 0.8890
541 3OM 0.8889
542 AKB 0.8889
543 069 0.8887
544 PHE 0.8886
545 R67 0.8884
546 BZF 0.8883
547 SAT 0.8883
548 PPR 0.8880
549 F9Y 0.8880
550 PZM 0.8880
551 URA 0.8878
552 PIY 0.8876
553 0VT 0.8876
554 RMN 0.8876
555 174 0.8875
556 TIU 0.8875
557 26D 0.8875
558 HC4 0.8873
559 JA8 0.8873
560 RJY 0.8872
561 4H2 0.8871
562 24T 0.8870
563 S0H 0.8870
564 WCE 0.8869
565 HDH 0.8867
566 KMH 0.8867
567 HMH 0.8866
568 SPV 0.8865
569 Q9Z 0.8862
570 LNO 0.8862
571 263 0.8861
572 5KX 0.8861
573 GOL 0.8860
574 FBB 0.8860
575 PEP 0.8859
576 URF 0.8859
577 XIX 0.8858
578 2AC 0.8856
579 IP0 0.8855
580 KTA 0.8854
581 TH7 0.8853
582 OTR 0.8852
583 T9G 0.8852
584 J9N 0.8852
585 4JP 0.8851
586 COM 0.8847
587 2YU 0.8846
588 3AP 0.8846
589 45L 0.8845
590 TAU 0.8845
591 BRT 0.8845
592 FPY 0.8844
593 VNJ 0.8842
594 DHB 0.8842
595 HYN 0.8841
596 MAK 0.8841
597 DBB 0.8840
598 93K 0.8840
599 DCL 0.8839
600 BEW 0.8839
601 3HP 0.8838
602 OHP 0.8836
603 1MC 0.8835
604 H3M 0.8835
605 ISU 0.8833
606 CRS 0.8831
607 HAI 0.8831
608 ICF 0.8829
609 3AL 0.8827
610 4ZE 0.8827
611 1WD 0.8827
612 SR1 0.8826
613 2HO 0.8826
614 2IM 0.8824
615 2CK 0.8823
616 MWM 0.8822
617 A09 0.8820
618 OXZ 0.8820
619 ZZ3 0.8820
620 QUZ 0.8820
621 FHB 0.8820
622 M2H 0.8820
623 7WV 0.8819
624 6M9 0.8819
625 PBN 0.8818
626 GZ3 0.8818
627 192 0.8816
628 3XX 0.8816
629 LGA 0.8815
630 XYD 0.8815
631 ES2 0.8815
632 7VD 0.8815
633 4AP 0.8814
634 XIZ 0.8814
635 3HG 0.8813
636 K2T 0.8813
637 3PP 0.8813
638 AGK 0.8812
639 4NC 0.8810
640 DS0 0.8810
641 275 0.8810
642 13P 0.8810
643 PBA 0.8809
644 PAH 0.8808
645 CIG 0.8808
646 HPY 0.8807
647 IFM 0.8806
648 TCA 0.8806
649 1CO 0.8805
650 A1U 0.8805
651 NSP 0.8804
652 1MZ 0.8802
653 HVK 0.8802
654 XBZ 0.8802
655 I3A 0.8799
656 4A3 0.8798
657 WBU 0.8798
658 BHL 0.8798
659 LYL 0.8797
660 CXL 0.8797
661 PBE 0.8797
662 XX2 0.8796
663 P3K 0.8795
664 H76 0.8792
665 5MH 0.8792
666 A2Q 0.8792
667 3HM 0.8791
668 HCI 0.8790
669 WOT 0.8788
670 FYU 0.8787
671 1GP 0.8787
672 42J 0.8786
673 GIF 0.8786
674 DSS 0.8786
675 JLZ 0.8785
676 2DR 0.8784
677 2FT 0.8783
678 DYT 0.8782
679 2MZ 0.8780
680 MEV 0.8779
681 HV2 0.8779
682 LYN 0.8778
683 PIS 0.8777
684 CYH 0.8777
685 ICP 0.8777
686 BTL 0.8777
687 RNS 0.8776
688 PCT 0.8776
689 BPW 0.8775
690 RM1 0.8774
691 FUB 0.8774
692 DHI 0.8773
693 HMU 0.8772
694 9SB 0.8771
695 AAS 0.8771
696 TB6 0.8771
697 ET2 0.8770
698 1P3 0.8769
699 34A 0.8768
700 NPY 0.8768
701 2AP 0.8767
702 RCO 0.8767
703 ODV 0.8766
704 X1S 0.8766
705 1SA 0.8766
706 K6V 0.8765
707 XQ0 0.8764
708 JB5 0.8761
709 2D0 0.8760
710 24B 0.8757
711 KP6 0.8756
712 ACH 0.8755
713 2AS 0.8755
714 M45 0.8754
715 XCZ 0.8754
716 MYJ 0.8753
717 JBE 0.8752
718 4SV 0.8752
719 Y8I 0.8752
720 AHB 0.8751
721 4JT 0.8750
722 2MP 0.8750
723 CCE 0.8747
724 285 0.8745
725 HRZ 0.8742
726 QOS 0.8742
727 5MP 0.8739
728 SAN 0.8739
729 YPN 0.8738
730 3V4 0.8737
731 FBS 0.8737
732 36R 0.8737
733 CLW 0.8735
734 0RW 0.8734
735 FLA 0.8733
736 FB1 0.8733
737 8X3 0.8731
738 Q88 0.8730
739 IF7 0.8729
740 L60 0.8729
741 9TW 0.8729
742 RUU 0.8729
743 TM7 0.8729
744 PPV 0.8728
745 SVN 0.8728
746 ES5 0.8727
747 284 0.8724
748 HHI 0.8722
749 MR3 0.8722
750 IDH 0.8721
751 EFS 0.8721
752 4HM 0.8719
753 TDR 0.8712
754 PGH 0.8711
755 Z6J 0.8711
756 BVF 0.8711
757 L3Q 0.8710
758 O7U 0.8710
759 9PO 0.8709
760 CHB 0.8709
761 HOW 0.8709
762 3BB 0.8708
763 HT4 0.8707
764 AT3 0.8706
765 5VM 0.8704
766 23A 0.8704
767 03V 0.8703
768 2XX 0.8698
769 449 0.8694
770 4J8 0.8694
771 G3H 0.8693
772 G3P 0.8693
773 1CB 0.8692
774 4FS 0.8690
775 ASC 0.8690
776 NEQ 0.8690
777 TSU 0.8689
778 V1L 0.8689
779 P9P 0.8689
780 RHU 0.8688
781 HPN 0.8682
782 DFB 0.8681
783 1P8 0.8680
784 3TR 0.8678
785 BAE 0.8677
786 GZL 0.8677
787 CWM 0.8677
788 2PG 0.8676
789 E5X 0.8676
790 KYD 0.8676
791 PNZ 0.8674
792 0HO 0.8674
793 H42 0.8672
794 1P7 0.8670
795 8GF 0.8668
796 6NT 0.8667
797 FCN 0.8665
798 0HN 0.8665
799 SEP 0.8664
800 EUG 0.8663
801 LG5 0.8662
802 2AQ 0.8662
803 OCH 0.8662
804 9EW 0.8660
805 VGD 0.8660
806 FBV 0.8657
807 COU 0.8655
808 TMZ 0.8650
809 FCR 0.8650
810 8K2 0.8650
811 0OC 0.8647
812 ZZT 0.8647
813 7HQ 0.8644
814 EV0 0.8643
815 ES0 0.8643
816 LG3 0.8642
817 AX3 0.8640
818 GBL 0.8639
819 RNT 0.8639
820 NF3 0.8638
821 5B1 0.8636
822 MEQ 0.8635
823 2AI 0.8635
824 FBW 0.8635
825 BZ2 0.8633
826 3PG 0.8632
827 CYT 0.8630
828 AZF 0.8630
829 MMU 0.8630
830 MEU 0.8629
831 IHB 0.8629
832 ICB 0.8629
833 ECE 0.8626
834 GG6 0.8625
835 5WV 0.8621
836 NOJ 0.8621
837 ABI 0.8619
838 POA 0.8617
839 CAQ 0.8615
840 3C4 0.8615
841 8ZE 0.8613
842 DOB 0.8612
843 ICC 0.8610
844 4XX 0.8609
845 DUC 0.8604
846 NM2 0.8604
847 51R 0.8603
848 2CH 0.8601
849 BAQ 0.8599
850 GLC 0.8598
851 1DW 0.8590
852 2ZM 0.8582
853 2HE 0.8580
854 ATQ 0.8576
855 FA0 0.8574
856 3NY 0.8567
857 FA1 0.8561
858 SC2 0.8557
859 J6W 0.8557
860 5UC 0.8554
861 ESP 0.8550
862 MMZ 0.8549
863 F0J 0.8546
864 4ZC 0.8541
865 LNR 0.8535
866 V55 0.8535
867 HH5 0.8534
868 XYP 0.8533
869 POP 0.8529
870 4M0 0.8528
871 ANN 0.8523
872 P7I 0.8511
Ligand no: 2; Ligand: SAH; Similar ligands found: 15
No: Ligand Similarity coefficient
1 HCE 0.9148
2 GMD 0.9105
3 IDP 0.8930
4 GDP 0.8927
5 2EL 0.8907
6 GDP MG 0.8895
7 CUU 0.8893
8 BIG 0.8840
9 M7G 0.8830
10 DAT 0.8738
11 UC5 0.8671
12 4CT 0.8669
13 DTP 0.8653
14 GNH 0.8616
15 OS3 0.8593
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQD; Ligand: HSM; 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: 1jqd.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JQD; Ligand: SAH; 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: 1jqd.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JQD; Ligand: HSM; 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: 1jqd.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JQD; Ligand: SAH; 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: 1jqd.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback