Receptor
PDB id Resolution Class Description Source Keywords
6GKV 2.35 Å EC: 2.1.1.115 CRYSTAL STRUCTURE OF COCLAURINE N-METHYLTRANSFERASE (CNMT) B METHYLHELIAMINE AND SAH COPTIS JAPONICA N-METHYLHELIAMINE COCLAURINE N-METHYLTRANSFERASE TRANSFERA
Ref.: STRUCTURE AND BIOCATALYTIC SCOPE OF COCLAURINE N-METHYLTRANSFERASE. ANGEW. CHEM. INT. ED. ENGL. V. 57 10600 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F2W A:502;
B:401;
Valid;
Valid;
none;
none;
submit data
208.277 C12 H18 N O2 C[NH+...
SAH A:501;
B:402;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GKV 2.35 Å EC: 2.1.1.115 CRYSTAL STRUCTURE OF COCLAURINE N-METHYLTRANSFERASE (CNMT) B METHYLHELIAMINE AND SAH COPTIS JAPONICA N-METHYLHELIAMINE COCLAURINE N-METHYLTRANSFERASE TRANSFERA
Ref.: STRUCTURE AND BIOCATALYTIC SCOPE OF COCLAURINE N-METHYLTRANSFERASE. ANGEW. CHEM. INT. ED. ENGL. V. 57 10600 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6GKV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 6GKZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KOK - S9T C20 H25 N O4 COc1ccc(cc....
2 5KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5KPG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KOC - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 6GKV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 6GKZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KOK - S9T C20 H25 N O4 COc1ccc(cc....
2 5KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5KPG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KOC - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 6GKV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 6GKZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 6P3N - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 6P3M - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 6P3O - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F2W; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 F2W 1 1
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: F2W; Similar ligands found: 628
No: Ligand Similarity coefficient
1 X0W 0.9781
2 CNI 0.9581
3 BPU 0.9572
4 X11 0.9543
5 AY4 0.9507
6 M3E 0.9494
7 BZE 0.9489
8 BIK 0.9471
9 EN1 0.9466
10 0XT 0.9454
11 JP2 0.9454
12 15E 0.9450
13 6QF 0.9444
14 JG8 0.9439
15 GF4 0.9439
16 AH9 0.9432
17 M1Z 0.9424
18 ANC 0.9418
19 3QV 0.9410
20 BZJ 0.9402
21 344 0.9401
22 GNM 0.9400
23 0W1 0.9366
24 2FQ 0.9359
25 HRM 0.9347
26 4MU 0.9340
27 BGU 0.9310
28 8NB 0.9308
29 E35 0.9304
30 S60 0.9298
31 AH6 0.9296
32 HBO 0.9295
33 8NX 0.9291
34 XM5 0.9285
35 MPV 0.9279
36 6FB 0.9273
37 DNQ 0.9264
38 WUB 0.9256
39 TWO 0.9254
40 L22 0.9248
41 1KP 0.9247
42 YTX 0.9247
43 2JK 0.9245
44 9AP 0.9242
45 VXX 0.9242
46 DX1 0.9241
47 E7S 0.9237
48 DK1 0.9235
49 NAG 0.9231
50 JTA 0.9216
51 OCZ 0.9214
52 FHC 0.9214
53 AH3 0.9214
54 X0U 0.9213
55 GNV 0.9211
56 DX3 0.9209
57 7ME 0.9208
58 AJV 0.9206
59 SE2 0.9199
60 AJY 0.9195
61 D48 0.9195
62 ITE 0.9194
63 J5I 0.9194
64 3J8 0.9191
65 5QY 0.9191
66 4V2 0.9190
67 8G6 0.9189
68 JR2 0.9188
69 3PF 0.9183
70 6RQ 0.9170
71 G3E 0.9170
72 N8Y 0.9169
73 MXD 0.9168
74 BPY 0.9167
75 DPT 0.9165
76 2J2 0.9162
77 LDR 0.9158
78 HQJ 0.9156
79 XDK 0.9145
80 SG2 0.9144
81 ROI 0.9136
82 ZME 0.9134
83 5GV 0.9134
84 L5V 0.9132
85 JU2 0.9132
86 V1T 0.9130
87 C9E 0.9123
88 QX4 0.9123
89 FF2 0.9121
90 NDG 0.9120
91 KTW 0.9117
92 B21 0.9114
93 9R5 0.9114
94 ESI 0.9112
95 SYV 0.9103
96 64C 0.9093
97 G12 0.9090
98 B4O 0.9086
99 JY4 0.9084
100 BQ5 0.9084
101 CK2 0.9084
102 7I2 0.9079
103 PH2 0.9079
104 78Y 0.9077
105 DQU 0.9077
106 30G 0.9075
107 2AK 0.9074
108 5TY 0.9072
109 1IT 0.9069
110 HQD 0.9069
111 0N7 0.9066
112 MUA 0.9065
113 EXD 0.9065
114 GO8 0.9063
115 9CA 0.9060
116 0FO 0.9060
117 KUF 0.9055
118 CH9 0.9053
119 44V 0.9052
120 R20 0.9048
121 F31 0.9048
122 AN3 0.9044
123 3Y7 0.9044
124 MVN 0.9043
125 6ME 0.9042
126 UFO 0.9039
127 9FL 0.9037
128 692 0.9037
129 GHM 0.9034
130 4JQ 0.9031
131 PRL 0.9030
132 ONR 0.9028
133 5RO 0.9027
134 KJU 0.9026
135 B62 0.9026
136 TT4 0.9026
137 4I5 0.9025
138 OTW 0.9024
139 WS6 0.9023
140 AZ9 0.9023
141 AX3 0.9022
142 1A7 0.9021
143 A7W 0.9021
144 GNY 0.9020
145 WSD 0.9019
146 S98 0.9015
147 ZYR 0.9015
148 N2M 0.9014
149 DNF 0.9014
150 39O 0.9013
151 KT7 0.9013
152 MRW 0.9012
153 DHC 0.9009
154 2K8 0.9007
155 DIN 0.9007
156 12T 0.9006
157 3VX 0.9006
158 QBS 0.9004
159 8WO 0.9004
160 ENO 0.9001
161 1VK 0.9000
162 APS 0.8999
163 XHP 0.8999
164 CLZ 0.8998
165 428 0.8991
166 FQX 0.8990
167 8W9 0.8990
168 EGR 0.8989
169 9FE 0.8988
170 PEY 0.8987
171 N7I 0.8987
172 A29 0.8984
173 7ZL 0.8984
174 4I8 0.8977
175 4RU 0.8973
176 FDR 0.8970
177 IWT 0.8969
178 8WZ 0.8967
179 0FK 0.8967
180 HHS 0.8966
181 DRG 0.8965
182 N91 0.8963
183 0TU 0.8963
184 6TZ 0.8961
185 55D 0.8960
186 0F9 0.8960
187 5GU 0.8958
188 THM 0.8956
189 XCG 0.8956
190 6ZW 0.8955
191 KWH 0.8954
192 8HC 0.8954
193 20J 0.8954
194 VNL 0.8953
195 HA5 0.8952
196 15N 0.8952
197 SRO 0.8950
198 MQN 0.8950
199 H4E 0.8949
200 TIY 0.8949
201 E1K 0.8948
202 H05 0.8948
203 P9I 0.8948
204 GJP 0.8948
205 TGX 0.8947
206 1Z6 0.8946
207 JYB 0.8946
208 CKA 0.8946
209 I6G 0.8946
210 ZHA 0.8943
211 JND 0.8943
212 4YO 0.8942
213 2WU 0.8939
214 THA 0.8939
215 GNJ 0.8935
216 44W 0.8935
217 1HN 0.8934
218 RKV 0.8933
219 W29 0.8933
220 537 0.8928
221 H5B 0.8927
222 8WT 0.8926
223 DUR 0.8926
224 OSB 0.8926
225 4BY 0.8925
226 HHR 0.8924
227 R9Y 0.8924
228 6X9 0.8923
229 5WT 0.8923
230 4FF 0.8923
231 2O6 0.8922
232 68A 0.8922
233 IQ5 0.8920
234 WS7 0.8920
235 3ZB 0.8919
236 VM1 0.8915
237 LJ3 0.8915
238 BZ2 0.8914
239 9LI 0.8913
240 PQ0 0.8913
241 FLV 0.8913
242 226 0.8913
243 ESX 0.8911
244 0JD 0.8910
245 J9T 0.8909
246 J6W 0.8909
247 209 0.8906
248 K44 0.8906
249 X8D 0.8904
250 URC 0.8904
251 IL5 0.8903
252 M5N 0.8903
253 TOF 0.8902
254 8TX 0.8901
255 582 0.8899
256 CB1 0.8896
257 PJW 0.8896
258 D3G 0.8895
259 4TU 0.8894
260 JWS 0.8893
261 XDE 0.8893
262 5F8 0.8890
263 N0Z 0.8889
264 6KT 0.8889
265 GDL 0.8889
266 94W 0.8888
267 D07 0.8888
268 6Q3 0.8883
269 GSY 0.8882
270 BNL 0.8881
271 ESP 0.8880
272 DCZ 0.8879
273 Q71 0.8879
274 AA 0.8877
275 2D2 0.8876
276 DMD 0.8876
277 3ID 0.8876
278 B5D 0.8875
279 549 0.8874
280 YZ9 0.8874
281 ANF 0.8872
282 HX4 0.8871
283 F4E 0.8871
284 EWG 0.8870
285 N2I 0.8870
286 DXK 0.8868
287 ICB 0.8868
288 LI6 0.8867
289 2D3 0.8866
290 2GQ 0.8866
291 5VL 0.8864
292 XAZ 0.8863
293 9ZE 0.8863
294 KTJ 0.8862
295 GZL 0.8861
296 0SY 0.8861
297 X48 0.8860
298 9UL 0.8860
299 THU 0.8859
300 DDU 0.8857
301 774 0.8857
302 CWS 0.8854
303 QBK 0.8854
304 ZRK 0.8853
305 4ME 0.8851
306 FCD 0.8851
307 LDC 0.8850
308 GVG 0.8849
309 75K 0.8847
310 6BL 0.8843
311 8ZE 0.8842
312 5VJ 0.8841
313 7B3 0.8837
314 8XL 0.8836
315 GZ2 0.8836
316 E1T 0.8836
317 JGB 0.8835
318 4NO 0.8834
319 FUD 0.8834
320 3R4 0.8831
321 1Z8 0.8830
322 1F1 0.8829
323 1X7 0.8827
324 5TZ 0.8826
325 1X8 0.8825
326 H33 0.8823
327 H70 0.8823
328 4BL 0.8820
329 069 0.8819
330 Y3L 0.8819
331 C8O 0.8818
332 ALE 0.8818
333 TCR 0.8817
334 ZYQ 0.8816
335 6NT 0.8816
336 6PB 0.8816
337 2HQ 0.8815
338 9KT 0.8814
339 4VY 0.8814
340 TR4 0.8813
341 0HN 0.8811
342 8IG 0.8810
343 GO2 0.8810
344 K68 0.8809
345 5JL 0.8809
346 7VP 0.8808
347 LT2 0.8807
348 CCV 0.8806
349 2LY 0.8806
350 1QP 0.8806
351 MUK 0.8806
352 LUM 0.8805
353 TXW 0.8805
354 TIA 0.8804
355 APZ 0.8804
356 86J 0.8802
357 NGO 0.8802
358 0NX 0.8802
359 5GT 0.8800
360 G1P 0.8799
361 LEL 0.8799
362 8XQ 0.8798
363 B55 0.8797
364 MS0 0.8795
365 54X 0.8795
366 YO5 0.8793
367 0HO 0.8793
368 DNC 0.8792
369 LL1 0.8792
370 JRO 0.8791
371 5JQ 0.8790
372 2EC 0.8790
373 KDV 0.8788
374 PHE 0.8788
375 DT7 0.8786
376 CWJ 0.8785
377 8HH 0.8785
378 Q77 0.8785
379 IA2 0.8784
380 V55 0.8783
381 LDP 0.8782
382 4A5 0.8779
383 0W8 0.8778
384 2J1 0.8776
385 7MU 0.8775
386 3A9 0.8775
387 92P 0.8774
388 BEA 0.8774
389 4VS 0.8770
390 5NI 0.8769
391 K97 0.8769
392 F02 0.8769
393 49P 0.8768
394 4F8 0.8767
395 MUR 0.8767
396 C2Y 0.8766
397 HNT 0.8766
398 BTY 0.8764
399 K22 0.8764
400 DT9 0.8762
401 AC2 0.8762
402 2ZM 0.8761
403 JF8 0.8760
404 I3E 0.8757
405 0BP 0.8757
406 091 0.8756
407 0P6 0.8756
408 K25 0.8756
409 L99 0.8754
410 CIY 0.8754
411 FER 0.8754
412 EUG 0.8753
413 EV3 0.8752
414 IPD 0.8752
415 8MO 0.8752
416 878 0.8751
417 BA5 0.8751
418 F0J 0.8750
419 NRA 0.8748
420 UNJ 0.8746
421 795 0.8746
422 7WR 0.8746
423 BP7 0.8745
424 363 0.8744
425 M5H 0.8743
426 4G2 0.8743
427 8CM 0.8741
428 LNR 0.8741
429 28N 0.8739
430 0LO 0.8739
431 SYR 0.8738
432 AMR 0.8737
433 AJ2 0.8736
434 3NY 0.8735
435 5F5 0.8734
436 ABI 0.8734
437 4Z4 0.8734
438 6NI 0.8734
439 AEH 0.8731
440 TXQ 0.8730
441 JAW 0.8726
442 M0W 0.8726
443 PE0 0.8726
444 K37 0.8726
445 XQ0 0.8726
446 XFE 0.8724
447 J9W 0.8722
448 6FZ 0.8721
449 K32 0.8721
450 HKD 0.8716
451 PRZ 0.8714
452 P4L 0.8713
453 4AA 0.8710
454 2HU 0.8709
455 W8G 0.8709
456 9CE 0.8708
457 6VD 0.8707
458 9UG 0.8705
459 JTH 0.8705
460 4WL 0.8703
461 7FF 0.8703
462 AQO 0.8702
463 25O 0.8702
464 EV2 0.8699
465 H4B 0.8699
466 HRD 0.8699
467 BIO 0.8699
468 RZH 0.8697
469 C2U 0.8697
470 XQK 0.8696
471 ZZA 0.8696
472 V2Z 0.8694
473 UKV 0.8694
474 4HC 0.8694
475 JDN 0.8694
476 CHB 0.8692
477 B60 0.8692
478 MS9 0.8691
479 2BG 0.8690
480 5FL 0.8690
481 DIU 0.8689
482 KLV 0.8688
483 Q24 0.8688
484 3R6 0.8688
485 9TW 0.8687
486 HNQ 0.8687
487 92G 0.8685
488 CSN 0.8685
489 IHB 0.8685
490 2KA 0.8683
491 QIV 0.8683
492 4AV 0.8682
493 M5K 0.8680
494 QXW 0.8680
495 M1Q 0.8679
496 D2G 0.8679
497 3Z8 0.8676
498 MAQ 0.8675
499 MCY 0.8674
500 4A3 0.8673
501 Z5P 0.8673
502 1M2 0.8672
503 MEW 0.8671
504 QWN 0.8670
505 CFF 0.8670
506 PRF 0.8670
507 MAJ 0.8670
508 93K 0.8669
509 COU 0.8668
510 P9P 0.8667
511 MB1 0.8666
512 DHB 0.8665
513 H42 0.8664
514 GDE 0.8663
515 6E8 0.8662
516 MPP 0.8660
517 1P7 0.8660
518 4ZA 0.8660
519 C53 0.8659
520 SLS 0.8658
521 FBB 0.8658
522 F12 0.8657
523 K2T 0.8656
524 7VS 0.8655
525 INO 0.8655
526 INE 0.8654
527 KYA 0.8653
528 7MX 0.8653
529 ZRL 0.8652
530 2B4 0.8652
531 9TF 0.8651
532 OCH 0.8649
533 DRL 0.8649
534 B56 0.8646
535 M1H 0.8646
536 3IT 0.8646
537 2HO 0.8645
538 M0Q 0.8645
539 GXY 0.8645
540 CHQ 0.8645
541 3HM 0.8643
542 9MG 0.8642
543 ID2 0.8639
544 2AQ 0.8639
545 982 0.8639
546 WOE 0.8636
547 6R8 0.8635
548 FOT 0.8634
549 MYJ 0.8633
550 1ZC 0.8632
551 0DN 0.8632
552 OKM 0.8630
553 BGP 0.8629
554 67X 0.8629
555 ZEC 0.8628
556 II4 0.8628
557 ES2 0.8627
558 4XF 0.8627
559 IOS 0.8626
560 AZ8 0.8625
561 JB8 0.8624
562 64F 0.8622
563 9OF 0.8620
564 ASC 0.8620
565 GRX 0.8617
566 CLI 0.8617
567 U7E 0.8613
568 03V 0.8611
569 4AN 0.8610
570 BHQ 0.8610
571 4P5 0.8609
572 H7Y 0.8607
573 KJY 0.8607
574 OA3 0.8607
575 4NC 0.8607
576 MOK 0.8606
577 UNC 0.8605
578 HDH 0.8604
579 CTD 0.8603
580 URI 0.8603
581 4FH 0.8603
582 I7C 0.8602
583 SKF 0.8602
584 FHB 0.8600
585 PMA 0.8600
586 QAT 0.8600
587 UFV 0.8599
588 EV0 0.8599
589 ET2 0.8597
590 BZ3 0.8597
591 F40 0.8596
592 MR6 0.8593
593 EVF 0.8592
594 36R 0.8591
595 4KL 0.8589
596 NNO 0.8589
597 36M 0.8585
598 IJZ 0.8584
599 CFK 0.8584
600 1P8 0.8578
601 2AL 0.8577
602 X0T 0.8577
603 JLZ 0.8577
604 5OB 0.8577
605 CLW 0.8573
606 SOV 0.8573
607 MD6 0.8573
608 B23 0.8573
609 A13 0.8571
610 YE7 0.8570
611 2F6 0.8568
612 4FS 0.8567
613 G6P 0.8567
614 OXC 0.8560
615 5VM 0.8559
616 LZB 0.8557
617 X0V 0.8557
618 PIY 0.8554
619 SXS 0.8552
620 IK1 0.8544
621 QPR 0.8544
622 QQQ 0.8542
623 5NE 0.8542
624 AW5 0.8531
625 HLD 0.8530
626 J9N 0.8529
627 GJK 0.8523
628 7ZE 0.8521
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 : 6GKV; Ligand: F2W; 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: 6gkv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GKV; Ligand: F2W; 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: 6gkv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6GKV; 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: 3) in the query (biounit: 6gkv.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6GKV; 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: 6gkv.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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