Receptor
PDB id Resolution Class Description Source Keywords
3P9K 2.25 Å EC: 2.1.1.6 CRYSTAL STRUCTURE OF PERENNIAL RYEGRASS LPOMT1 COMPLEXED WIT ADENOSYL-L-HOMOCYSTEINE AND CONIFERALDEHYDE LOLIUM PERENNE S-ADENOSYLMETHIONINE DEPENDENT O-METHYLTRANSFERASE TRANSFER
Ref.: STRUCTURE-FUNCTION ANALYSES OF A CAFFEIC ACID O-METHYLTRANSFERASE FROM PERENNIAL RYEGRASS REVEAL MOLECULAR BASIS FOR SUBSTRATE PREFERENCE. PLANT CELL V. 22 4114 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIY A:601;
B:602;
C:603;
D:604;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
178.185 C10 H10 O3 COc1c...
SAH A:401;
B:402;
C:403;
D:404;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
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
3P9C 1.8 Å EC: 2.1.1.6 CRYSTAL STRUCTURE OF PERENNIAL RYEGRASS LPOMT1 BOUND TO SAH LOLIUM PERENNE S-ADENOSYLMETHIONINE DEPENDENT O-METHYLTRANSFERASE TRANSFER
Ref.: STRUCTURE-FUNCTION ANALYSES OF A CAFFEIC ACID O-METHYLTRANSFERASE FROM PERENNIAL RYEGRASS REVEAL MOLECULAR BASIS FOR SUBSTRATE PREFERENCE. PLANT CELL V. 22 4114 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6YJW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1KYZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6C5B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 6YJW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5ICF - SAU C20 H14 N O4 C[n+]1cc2c....
4 5ICC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 5ICE - 2H4 C16 H17 N O4 c1cc(c(cc1....
6 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 1ZHF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 1ZGJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 1FP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 6CIG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
15 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CIY; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 CIY 1 1
2 H7Y 0.658537 0.863636
3 EUG 0.658537 0.863636
4 GJK 0.644444 0.954545
5 FER 0.644444 0.875
6 C9M 0.595745 0.714286
7 V55 0.595238 0.952381
8 N7I 0.586957 0.740741
9 4M4 0.55814 0.863636
10 ZYC 0.54717 0.724138
11 CUR 0.517857 0.724138
12 SNY 0.511111 0.84
13 PWF 0.439394 0.677419
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: CIY; Similar ligands found: 577
No: Ligand Similarity coefficient
1 H4B 1.0000
2 AEH 0.9555
3 DHC 0.9530
4 LDP 0.9486
5 VXX 0.9454
6 YTX 0.9448
7 CKU 0.9438
8 9GP 0.9434
9 CR1 0.9433
10 AC2 0.9432
11 QBM 0.9403
12 6Q3 0.9402
13 ALE 0.9396
14 42J 0.9396
15 HPT 0.9363
16 NBG 0.9351
17 CXH 0.9320
18 S8D 0.9317
19 SRO 0.9314
20 AZY 0.9295
21 NIY 0.9288
22 14W 0.9287
23 8NB 0.9279
24 MMS 0.9272
25 4FE 0.9269
26 GO8 0.9266
27 55D 0.9265
28 FF2 0.9264
29 28S 0.9247
30 DAH 0.9241
31 IYR 0.9236
32 BDI 0.9224
33 NQH 0.9218
34 IOP 0.9208
35 B41 0.9208
36 D8Q 0.9207
37 9BF 0.9206
38 P80 0.9205
39 4Z3 0.9201
40 GO2 0.9199
41 TSS 0.9191
42 4GP 0.9190
43 3D3 0.9169
44 7MX 0.9157
45 ZHA 0.9156
46 AMR 0.9151
47 I2E 0.9138
48 N8Y 0.9129
49 N91 0.9128
50 R20 0.9128
51 1QP 0.9127
52 S7S 0.9126
53 H4E 0.9120
54 ZIP 0.9117
55 3VX 0.9116
56 K3Q 0.9113
57 X0W 0.9101
58 JND 0.9096
59 JYT 0.9095
60 6N4 0.9083
61 JXK 0.9082
62 KWB 0.9073
63 YO5 0.9069
64 ZME 0.9069
65 C9E 0.9068
66 LNR 0.9067
67 HC4 0.9066
68 OW7 0.9063
69 MFZ 0.9059
70 8WT 0.9058
71 2FX 0.9055
72 363 0.9054
73 PBG 0.9054
74 KTW 0.9051
75 2LT 0.9050
76 CWD 0.9043
77 TRP 0.9042
78 M6Z 0.9042
79 463 0.9041
80 TMG 0.9041
81 LSQ 0.9037
82 SXX 0.9037
83 6HP 0.9034
84 1BW 0.9034
85 BWD 0.9030
86 3IL 0.9027
87 GZ2 0.9027
88 XCG 0.9026
89 GOE 0.9025
90 92P 0.9024
91 ZYQ 0.9019
92 NBV 0.9019
93 4Z9 0.9018
94 NFZ 0.9016
95 G6P 0.9014
96 L22 0.9011
97 4R1 0.9008
98 QIV 0.9006
99 NAG 0.9005
100 XIZ 0.8998
101 J6W 0.8996
102 ITE 0.8995
103 TU0 0.8995
104 JFJ 0.8994
105 HA5 0.8992
106 M78 0.8990
107 3C4 0.8989
108 15E 0.8987
109 9FE 0.8987
110 AX3 0.8987
111 8W9 0.8986
112 4XF 0.8986
113 FWD 0.8984
114 ZRK 0.8984
115 EMZ 0.8983
116 VM1 0.8983
117 TA6 0.8981
118 E7S 0.8980
119 PH2 0.8980
120 PRZ 0.8978
121 ESI 0.8976
122 Y3L 0.8973
123 BG6 0.8972
124 NFM 0.8972
125 6NZ 0.8970
126 F6P 0.8969
127 RP3 0.8965
128 M4E 0.8964
129 ASE 0.8961
130 TYR 0.8960
131 KNA 0.8959
132 YIP 0.8959
133 HWH 0.8958
134 HBO 0.8958
135 IWD 0.8953
136 OHJ 0.8953
137 TZM 0.8953
138 MD6 0.8952
139 PLP 0.8951
140 X48 0.8950
141 LEL 0.8947
142 TCA 0.8946
143 9F8 0.8945
144 BB4 0.8943
145 EV0 0.8941
146 DTR 0.8941
147 LTN 0.8936
148 0FK 0.8935
149 268 0.8935
150 PO6 0.8933
151 61M 0.8933
152 BK9 0.8932
153 IPT 0.8931
154 0SY 0.8931
155 8U3 0.8930
156 ARP 0.8930
157 V2Z 0.8929
158 LRW 0.8927
159 2CZ 0.8927
160 M6D 0.8925
161 3R6 0.8925
162 ASC 0.8920
163 4HM 0.8920
164 L5V 0.8919
165 C0W 0.8917
166 3XH 0.8914
167 RKV 0.8913
168 F1X 0.8911
169 6L6 0.8910
170 P81 0.8910
171 F5C 0.8909
172 VNL 0.8907
173 B2J 0.8906
174 JCZ 0.8906
175 BNF 0.8906
176 4A5 0.8905
177 A5P 0.8904
178 6J5 0.8903
179 2K8 0.8903
180 KF5 0.8901
181 7I2 0.8898
182 NWD 0.8897
183 PLR 0.8896
184 1M2 0.8896
185 F4E 0.8896
186 4BX 0.8894
187 M6P 0.8890
188 069 0.8889
189 RD4 0.8888
190 AH9 0.8888
191 RCV 0.8887
192 V1T 0.8883
193 P7Y 0.8880
194 3ZB 0.8880
195 APS 0.8878
196 O2Y 0.8877
197 R9Y 0.8877
198 EN1 0.8876
199 60L 0.8876
200 PBN 0.8876
201 HRM 0.8872
202 HBI 0.8871
203 M5H 0.8871
204 F0J 0.8871
205 N2I 0.8870
206 KG1 0.8866
207 QR2 0.8864
208 SNO 0.8863
209 BP7 0.8862
210 C2Y 0.8862
211 KDV 0.8860
212 JF2 0.8860
213 RNO 0.8860
214 0F9 0.8860
215 RGG 0.8859
216 F06 0.8859
217 DHY 0.8858
218 MLZ 0.8858
219 8MP 0.8858
220 9ZE 0.8857
221 HQJ 0.8857
222 HPP 0.8856
223 ONR 0.8856
224 8HC 0.8855
225 0XR 0.8854
226 HHR 0.8854
227 7MU 0.8853
228 SSB 0.8852
229 R4E 0.8852
230 5WN 0.8851
231 X0U 0.8850
232 2UD 0.8849
233 ZEA 0.8847
234 4BY 0.8846
235 5OO 0.8842
236 MXD 0.8841
237 S0D 0.8835
238 64E 0.8835
239 A7N 0.8835
240 BGP 0.8835
241 HHS 0.8834
242 4V2 0.8830
243 MPV 0.8830
244 5E5 0.8828
245 3H2 0.8826
246 2HC 0.8826
247 NAL 0.8825
248 GLP 0.8824
249 ABF 0.8824
250 H35 0.8824
251 ESX 0.8824
252 U7E 0.8823
253 A7H 0.8822
254 BZ2 0.8820
255 1A7 0.8820
256 JP2 0.8819
257 DI6 0.8819
258 1FE 0.8818
259 HCI 0.8818
260 KMY 0.8816
261 7ZL 0.8815
262 45L 0.8815
263 6RQ 0.8812
264 N9J 0.8807
265 NTF 0.8806
266 IAC 0.8805
267 LVD 0.8803
268 CX4 0.8802
269 XIY 0.8801
270 HL4 0.8800
271 N2M 0.8800
272 5B2 0.8799
273 MIL 0.8799
274 7MW 0.8799
275 1X8 0.8796
276 TWO 0.8796
277 F02 0.8795
278 STT 0.8794
279 TB8 0.8792
280 TL6 0.8791
281 OA1 0.8791
282 JF1 0.8791
283 YE7 0.8788
284 PBA 0.8787
285 1F1 0.8787
286 PH3 0.8786
287 JY2 0.8785
288 PHE 0.8785
289 4BL 0.8783
290 2GQ 0.8783
291 8G6 0.8783
292 JXT 0.8781
293 S0W 0.8780
294 ML1 0.8780
295 HSX 0.8779
296 0W1 0.8779
297 TYL 0.8777
298 9R5 0.8775
299 549 0.8774
300 8XL 0.8774
301 LYL 0.8768
302 UFO 0.8768
303 SYR 0.8767
304 B4O 0.8767
305 2BG 0.8767
306 5RP 0.8766
307 MVH 0.8765
308 IBP 0.8765
309 2JX 0.8763
310 AES 0.8763
311 428 0.8763
312 3Z8 0.8762
313 DXK 0.8761
314 IOS 0.8760
315 EE8 0.8760
316 LL1 0.8760
317 3Y7 0.8758
318 8NX 0.8757
319 6KT 0.8757
320 7ZC 0.8756
321 EYV 0.8755
322 Q5M 0.8755
323 F2W 0.8754
324 SQ7 0.8751
325 259 0.8750
326 8ZE 0.8750
327 OMD 0.8750
328 RVE 0.8748
329 LYS 0.8747
330 CHQ 0.8746
331 DNF 0.8746
332 SR1 0.8743
333 A5E 0.8743
334 HNE 0.8741
335 GB5 0.8741
336 MUK 0.8741
337 F31 0.8740
338 PRA 0.8740
339 JPQ 0.8740
340 UAN 0.8738
341 6C8 0.8738
342 4XV 0.8738
343 CWS 0.8737
344 F9Y 0.8737
345 KYA 0.8735
346 NDG 0.8734
347 5F5 0.8734
348 DEW 0.8733
349 KUF 0.8733
350 692 0.8733
351 0HN 0.8729
352 ONH 0.8728
353 KLV 0.8728
354 TLM 0.8726
355 X04 0.8725
356 5WT 0.8724
357 S60 0.8721
358 C4E 0.8720
359 NPA 0.8720
360 IHB 0.8718
361 JB8 0.8718
362 ESP 0.8717
363 5P3 0.8717
364 BY5 0.8715
365 BHS 0.8714
366 6TZ 0.8713
367 KJU 0.8712
368 WA2 0.8709
369 5B1 0.8709
370 EXD 0.8707
371 78Y 0.8707
372 7WR 0.8706
373 BQ2 0.8704
374 0FO 0.8704
375 2HQ 0.8704
376 GB4 0.8704
377 PE2 0.8702
378 BGU 0.8702
379 TYE 0.8700
380 2WU 0.8699
381 4XS 0.8699
382 OSB 0.8699
383 EWG 0.8698
384 1P7 0.8697
385 4ME 0.8696
386 S98 0.8695
387 5TY 0.8693
388 CWM 0.8693
389 1QV 0.8693
390 ICB 0.8692
391 KOJ 0.8691
392 H2B 0.8690
393 52F 0.8690
394 4AB 0.8690
395 W81 0.8689
396 KLS 0.8689
397 0JD 0.8688
398 3D8 0.8688
399 2JK 0.8687
400 GF4 0.8686
401 2O6 0.8686
402 57O 0.8684
403 ZSP 0.8684
404 BZE 0.8682
405 M9N 0.8681
406 64F 0.8680
407 7O4 0.8679
408 SSY 0.8679
409 5TZ 0.8679
410 AY4 0.8678
411 A5H 0.8678
412 5XC 0.8675
413 HX3 0.8675
414 68A 0.8674
415 15N 0.8674
416 DTY 0.8674
417 0NX 0.8674
418 3SU 0.8673
419 92G 0.8671
420 KYN 0.8670
421 GVY 0.8669
422 CHB 0.8669
423 NPI 0.8668
424 4I8 0.8667
425 ARG 0.8667
426 ENO 0.8667
427 1X7 0.8663
428 BIO 0.8662
429 3Z7 0.8662
430 96Z 0.8661
431 CIR 0.8661
432 SSC 0.8660
433 3A9 0.8659
434 BGC 0.8659
435 FC2 0.8658
436 INO 0.8656
437 12T 0.8655
438 49P 0.8655
439 DX5 0.8655
440 MQB 0.8654
441 GDL 0.8654
442 5F8 0.8654
443 S0G 0.8653
444 SG2 0.8653
445 3W8 0.8652
446 UNJ 0.8651
447 B2E 0.8649
448 9TW 0.8649
449 AEF 0.8648
450 D6G 0.8647
451 AJG 0.8646
452 0LO 0.8646
453 HJH 0.8646
454 78P 0.8645
455 DT7 0.8645
456 FUD 0.8645
457 CFA 0.8644
458 CWJ 0.8644
459 6C9 0.8644
460 FZM 0.8644
461 CK2 0.8643
462 BPU 0.8643
463 RM1 0.8642
464 0HO 0.8642
465 B62 0.8641
466 YZM 0.8641
467 54X 0.8640
468 PMP 0.8640
469 8IG 0.8640
470 JTA 0.8639
471 F40 0.8639
472 B21 0.8638
473 3C5 0.8637
474 MVN 0.8635
475 27K 0.8634
476 MUX 0.8633
477 6ME 0.8633
478 RP5 0.8633
479 6NT 0.8632
480 YRL 0.8632
481 JGB 0.8631
482 DEE 0.8631
483 PFF 0.8630
484 MNP 0.8630
485 2D2 0.8630
486 LJ3 0.8629
487 5H6 0.8629
488 P4L 0.8629
489 NVU 0.8628
490 A29 0.8627
491 BZ3 0.8626
492 S3C 0.8626
493 FP1 0.8626
494 DNC 0.8625
495 8S0 0.8625
496 GAL 0.8625
497 XDK 0.8624
498 4FF 0.8623
499 DQU 0.8622
500 9NB 0.8621
501 EV2 0.8621
502 833 0.8621
503 795 0.8616
504 ZEC 0.8615
505 SOR 0.8614
506 8TX 0.8613
507 TOH 0.8613
508 MLY 0.8613
509 Q88 0.8612
510 DHB 0.8612
511 FYR 0.8612
512 SNR 0.8611
513 4BF 0.8609
514 K37 0.8608
515 93K 0.8607
516 0FR 0.8606
517 XI7 0.8606
518 R5P 0.8604
519 3VS 0.8601
520 SHA 0.8600
521 VC3 0.8599
522 44W 0.8599
523 QMS 0.8598
524 3VW 0.8598
525 8YH 0.8597
526 DGJ 0.8597
527 MMJ 0.8593
528 JSX 0.8592
529 ZZA 0.8592
530 SSM 0.8591
531 44V 0.8590
532 DHK 0.8589
533 M1Z 0.8588
534 E1T 0.8587
535 CC5 0.8584
536 PIQ 0.8583
537 GHM 0.8581
538 JDN 0.8581
539 5FL 0.8577
540 JR2 0.8576
541 5V7 0.8576
542 5GU 0.8575
543 P9P 0.8574
544 5OB 0.8574
545 4NP 0.8573
546 K82 0.8572
547 94W 0.8572
548 F12 0.8569
549 4YO 0.8566
550 2A9 0.8565
551 VBC 0.8563
552 AVA 0.8562
553 3GX 0.8562
554 GDE 0.8561
555 XFE 0.8558
556 4FA 0.8557
557 TJM 0.8556
558 6ZX 0.8555
559 S1D 0.8553
560 MS9 0.8551
561 ZYR 0.8551
562 QSB 0.8550
563 TCR 0.8549
564 4TU 0.8547
565 A6P 0.8547
566 PNP 0.8546
567 6C5 0.8543
568 HNT 0.8543
569 6VD 0.8540
570 BPY 0.8539
571 92O 0.8537
572 5TO 0.8533
573 X0T 0.8533
574 2D0 0.8530
575 QME 0.8527
576 AZM 0.8523
577 PRF 0.8514
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 : 3P9C; Ligand: SAH; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3p9c.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3GWZ SAH 38.2114
2 3LST SAH 41.3793
Pocket No.: 2; Query (leader) PDB : 3P9C; 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: 3p9c.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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