Receptor
PDB id Resolution Class Description Source Keywords
3TKY 2.47 Å EC: 2.1.1.146 MONOLIGNOL O-METHYLTRANSFERASE (MOMT) CLARKIA BREWERI DIRECTED EVOLUTION SATURATION MUTAGENESIS REGIOSELECTIVITYTRANSFERASE
Ref.: AN ENGINEERED MONOLIGNOL 4-O-METHYLTRANSFERASE DEPR LIGNIN BIOSYNTHESIS AND CONFERS NOVEL METABOLIC CAP IN ARABIDOPSIS. PLANT CELL V. 24 3135 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N7I A:369;
B:369;
C:369;
D:369;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.2 C10 H12 O3 COc1c...
SAH A:370;
B:370;
C:370;
D:370;
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
3TKY 2.47 Å EC: 2.1.1.146 MONOLIGNOL O-METHYLTRANSFERASE (MOMT) CLARKIA BREWERI DIRECTED EVOLUTION SATURATION MUTAGENESIS REGIOSELECTIVITYTRANSFERASE
Ref.: AN ENGINEERED MONOLIGNOL 4-O-METHYLTRANSFERASE DEPR LIGNIN BIOSYNTHESIS AND CONFERS NOVEL METABOLIC CAP IN ARABIDOPSIS. PLANT CELL V. 24 3135 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3TKY - 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 2 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....
4 1KYZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5ICF - SAU C20 H14 N O4 C[n+]1cc2c....
2 5ICC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5ICE - 2H4 C16 H17 N O4 c1cc(c(cc1....
4 1ZG3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1ZGA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 1ZHF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 1ZGJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 1FP2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
10 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: N7I; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 N7I 1 1
2 C9M 0.688889 0.827586
3 H7Y 0.682927 0.703704
4 EUG 0.682927 0.703704
5 CIY 0.586957 0.740741
6 FER 0.5625 0.724138
7 4M4 0.511111 0.703704
8 V55 0.511111 0.703704
9 ZYC 0.509091 0.774194
10 CUR 0.457627 0.666667
11 PWF 0.411765 0.727273
Ligand no: 2; Ligand: SAH; Similar ligands found: 197
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 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TKY; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3tky.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TKY; Ligand: SAH; Similar sites found: 238
This union binding pocket(no: 2) in the query (biounit: 3tky.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XRH NIO 0.001442 0.47493 None
2 3TD3 GLY 0.02532 0.40197 None
3 5IGL BMF 0.02758 0.40044 None
4 5DNK SAH 0.000003652 0.58032 1.3587
5 5X62 SAH 0.000007366 0.53693 1.3587
6 4NOS H4B 0.03407 0.40202 1.3587
7 5F2K SAH 0.0001654 0.40118 1.3587
8 5F2K OCA 0.0001654 0.40118 1.3587
9 3VSE SAH 0.001355 0.45072 1.63043
10 3LCV SAM 0.000005978 0.50093 1.77936
11 3I9U DTU 0.02032 0.40017 1.90114
12 1U2Z SAH 0.0002232 0.44367 1.90217
13 3X01 AMP 0.007986 0.43057 1.90217
14 2ZWI C5P 0.008076 0.41821 1.90217
15 1JPA ANP 0.01691 0.42042 1.92308
16 1YXM ADE 0.006032 0.41488 1.9802
17 3A25 SAM 0.003988 0.4126 1.99336
18 1RJD SAM 0.000000327 0.57002 2.09581
19 4N49 SAM 0.000163 0.46043 2.17391
20 5MPT SAH 0.000318 0.46006 2.17391
21 4IEE AGS 0.009863 0.41836 2.17391
22 2UYQ SAM 0.00000005622 0.70687 2.25806
23 3FRH SAH 0.00000101 0.53141 2.37154
24 4ZNO SUC 0.01528 0.42245 2.38806
25 3QOX SAH 0.00005044 0.46663 2.44565
26 2JJQ SAH 0.002164 0.43649 2.44565
27 1N1V DAN 0.01448 0.41448 2.44565
28 5FA5 MTA 0.0001584 0.4834 2.45232
29 1WG8 SAM 0.001722 0.40244 2.45614
30 3GCZ SAM 0.0000392 0.49932 2.48227
31 5KVA SAM 0.002031 0.41112 2.51799
32 5E9W SAH 0.00001111 0.54934 2.5641
33 5E8J SAH 0.00001839 0.5321 2.5641
34 3VYW SAM 0.004798 0.40039 2.5974
35 4GQB 0XU 0.00008603 0.4527 2.61628
36 4NEC SAH 0.000001455 0.57529 2.65152
37 3P2E SAH 0.0001529 0.46169 2.66667
38 1Z3C SA8 0.00008156 0.42026 2.68456
39 3TLJ SAH 0.00008223 0.45839 2.71739
40 3O7W SAM 0.0000000128 0.67787 2.72109
41 3EVG SAH 0.00004499 0.49674 2.90909
42 1TZD ADP 0.01647 0.41088 2.90909
43 1BC5 SAH 0.0003415 0.43678 2.97398
44 5ULP KB1 0.00001744 0.47684 2.98507
45 2XUA SHF 0.0185 0.40508 3.00752
46 5JBX MLI 0.01327 0.41642 3.06513
47 3H8V ATP 0.0006131 0.44775 3.08219
48 1I1N SAH 0.0001715 0.42261 3.09735
49 5JGL SAM 0.0001516 0.47897 3.11419
50 5K7U SAM 0.000274 0.46286 3.15186
51 5AEW BNL 0.01315 0.41663 3.19149
52 3OFK SAH 0.001091 0.42221 3.24074
53 2VT3 ATP 0.01568 0.40029 3.25581
54 1IM8 SAI 0.00001142 0.50764 3.27869
55 5IL1 SAM 0.0002297 0.46616 3.30189
56 3G2O SAM 0.000008991 0.52693 3.34448
57 2ZIF SAM 0.0006807 0.44158 3.367
58 3ZPG 5GP 0.01058 0.4196 3.40314
59 1G60 SAM 0.0005064 0.44702 3.46154
60 5D9X GSH 0.01213 0.42089 3.47826
61 2PWY SAH 0.0005425 0.42697 3.48837
62 4M37 SAH 0.001507 0.42699 3.49854
63 4M38 SAH 0.001143 0.42641 3.49854
64 5FTW SAH 0.00005086 0.48183 3.51562
65 1R18 SAH 0.0007751 0.42638 3.52423
66 3MB5 SAM 0.0002731 0.43939 3.52941
67 4AZT SAM 0.00006758 0.48911 3.53261
68 4AZW SAM 0.00009925 0.47695 3.53261
69 4ONQ SFG 0.0005823 0.44871 3.64146
70 4DCM SAM 0.0002843 0.47193 3.80435
71 4DMG SAM 0.0006055 0.46726 3.80435
72 4UCI SAM 0.0007358 0.44015 3.80435
73 3LCC SAH 0.0000006587 0.5832 3.82979
74 3VC1 SAH 0.000008925 0.49525 3.84615
75 3BGD SAH 0.00003552 0.47281 3.84615
76 3BGD PM6 0.00008583 0.43343 3.84615
77 3VC1 GST 0.0000312 0.40096 3.84615
78 2BZG SAH 0.00004964 0.49489 3.87931
79 2EFJ SAH 0.0000008639 0.578 4.07609
80 2Q28 ADP 0.002778 0.41574 4.07609
81 2NUO BGC 0.006717 0.43886 4.09836
82 2HYR BGC GLC 0.0134 0.40703 4.09836
83 2NU5 NAG 0.01363 0.40558 4.09836
84 2GUE NAG 0.01628 0.40427 4.09836
85 2HYQ MAN MAN 0.01465 0.40352 4.09836
86 2GUD MAN 0.01518 0.40016 4.09836
87 4R6W SAH 0.000002165 0.4614 4.26357
88 5LOG SAH 0.002337 0.41892 4.29185
89 1N2X SAM 0.001494 0.40412 4.31894
90 5FA8 SAM 0.00003641 0.47253 4.34783
91 1WY7 SAH 0.0002276 0.44759 4.34783
92 3S1S SAH 0.000925 0.41719 4.34783
93 3A4T SFG 0.0001609 0.45379 4.37956
94 2FK8 SAM 0.001389 0.42317 4.40252
95 3UCJ AZM 0.01986 0.40315 4.40529
96 3A27 SAM 0.004317 0.41111 4.41176
97 4XFR CIT 0.01075 0.42299 4.44965
98 2VDV SAM 0.0000007428 0.59644 4.47154
99 5DM1 SAH 0.00001923 0.40511 4.49438
100 5DM1 5D7 0.00002063 0.40046 4.49438
101 4BLW SAH 0.001067 0.40626 4.49827
102 2A14 SAH 0.001416 0.41786 4.56274
103 5XLX SAH 0.0001289 0.47699 4.60993
104 3EF0 ALF 0.01452 0.41379 4.61957
105 2YX1 SFG 0.0001946 0.4848 4.7619
106 5DX8 SFG 0.00008842 0.45852 4.87106
107 5DXA SFG 0.0001221 0.45279 4.87106
108 5DWQ SFG 0.0001188 0.44763 4.87106
109 5DX1 SFG 0.00009038 0.44506 4.87106
110 5DX0 SFG 0.0001824 0.43556 4.87106
111 5THY SAH 0.0001042 0.46912 4.8913
112 5THZ SAH 0.00007288 0.46268 4.8913
113 3PT9 SAH 0.001157 0.43583 4.8913
114 2FDW D3G 0.01376 0.41114 4.8913
115 2HNK SAH 0.002413 0.41316 5.02092
116 2XVM SAH 0.000002226 0.57444 5.02513
117 3JWH SAH 0.0000008962 0.60102 5.06912
118 1JQD HSM 0.0004301 0.41135 5.13699
119 1JQD SAH 0.0004319 0.40134 5.13699
120 5JJR SAH 0.0001104 0.4799 5.16304
121 4LWP SAH 0.0001309 0.47671 5.16304
122 3X0D SAH 0.000589 0.44424 5.16304
123 5XVK SAH 0.0004601 0.43216 5.16304
124 5E72 SAM 0.0001097 0.4601 5.20231
125 5CUQ NSC 0.0001254 0.49299 5.24345
126 4TQG NDP 0.0002493 0.4089 5.26316
127 3EGI ADP 0.0004602 0.49106 5.33981
128 3H2B SAH 0.00001338 0.51374 5.41872
129 2EG5 SAH 0.000001403 0.5837 5.43478
130 2AOT SAH 0.0001229 0.48836 5.47945
131 3GU3 SAH 0.00000049 0.62257 5.6338
132 1GOJ ADP 0.02742 0.40116 5.6338
133 1NW5 SAM 0.000507 0.44699 5.64263
134 4YMH SAH 0.003746 0.40561 5.83333
135 3CL7 HYN 0.02544 0.40277 5.84416
136 1F3L SAH 0.0001224 0.45891 5.919
137 3B9Q MLI 0.007939 0.43859 5.96026
138 3DXY SAM 0.000001661 0.58835 5.9633
139 4C4A SAH 0.0001516 0.46917 5.97826
140 4CFT H4B 0.03681 0.40167 5.97826
141 3FZG SAM 0.00005112 0.50555 6
142 2PXX SAH 0.00002318 0.50366 6.04651
143 2WA2 SAM 0.0001135 0.48452 6.15942
144 1UAY ADN 0.0001928 0.48499 6.19835
145 2P41 SAH 0.00007153 0.48804 6.22951
146 5HJM MTA 0.00002581 0.50168 6.25
147 1KPH SAH 0.0008631 0.42651 6.27178
148 1KPG SAH 0.0008646 0.4265 6.27178
149 4PNE SAH 0.000001374 0.52593 6.29139
150 2PX8 SAH 0.0005409 0.4501 6.3197
151 4IWN GEK 0.000003547 0.50813 6.55022
152 1TPY SAH 0.0006437 0.42988 6.62021
153 3U4C NDP 0.0001255 0.41631 6.76157
154 3FIU POP 0.02477 0.4027 6.82731
155 1SBR VIB 0.02495 0.4023 7
156 5N5D SAM 0.005867 0.40198 7.07965
157 1L3I SAH 0.0007288 0.40646 7.29167
158 1NV8 SAM 0.0005906 0.40189 7.39437
159 1I9G SAM 0.003003 0.40913 7.5
160 3BXO SAM 0.000008068 0.54862 7.53138
161 5JE0 AZ8 0.0002476 0.40235 7.69231
162 5JE0 SAH 0.0002476 0.40235 7.69231
163 1R6D NAD 0.02207 0.41022 7.71513
164 1R6D DAU 0.02179 0.40977 7.71513
165 1JG3 ADN 0.001419 0.432 8.08511
166 3LKZ SFG 0.0001687 0.4672 8.09969
167 4OBW SAM 0.0001487 0.47432 8.17121
168 3T7S SAM 0.000003163 0.54653 8.20895
169 2XYQ SAH 0.003096 0.41736 8.27586
170 3JUT GTQ 0.02627 0.40443 8.46154
171 3CBG SAH 0.007486 0.40417 8.62069
172 2EJU SAH 0.0004166 0.455 8.69565
173 2DPM SAM 0.0004543 0.437 8.80282
174 2ZFU SAH 0.000002983 0.53066 8.83721
175 5MGZ SAH 0.000009251 0.52052 8.8983
176 2ZWA SAH 0.000002654 0.52402 8.96739
177 5XVQ SAH 0.0006504 0.42541 9.50704
178 3GDH SAH 0.0000242 0.47092 9.54357
179 1G55 SAH 0.0001033 0.47621 9.62099
180 3C3Y SAH 0.00357 0.41113 9.70464
181 3RKR NAP 0.003136 0.43816 9.92366
182 3ZVS MLI 0.01036 0.4146 10
183 4FZV SAM 0.0002376 0.45328 10.0279
184 3GRU AMP 0.002783 0.40007 10.1695
185 5F8F SFG 0.00000201 0.56896 10.3261
186 3DMH SAM 0.0001596 0.4604 10.3261
187 3DMH GMP 0.0002801 0.41378 10.3261
188 4II2 ATP 0.002948 0.41016 10.4294
189 4CS9 AMP 0.006189 0.43808 10.582
190 3Q87 SAM 0.0008017 0.41917 10.5882
191 1SQF SAM 0.0007657 0.44358 10.5978
192 4KRG SAH 0.000004266 0.5474 11.1413
193 1FWV SGA MAG FUC 0.01615 0.41725 11.194
194 5BXV MGP 0.01023 0.41998 11.3636
195 3MQ2 SAH 0.00007307 0.49296 11.4679
196 5BW4 SAM 0.0000548 0.49847 11.6105
197 4KRI SAH 0.000001224 0.54703 11.6848
198 5XG5 A2G 0.03117 0.4014 11.7241
199 3FUU ADN 0.002248 0.41963 11.8081
200 3EGV SAH 0.0003185 0.46475 11.811
201 2NXE SAM 0.0003486 0.45833 11.811
202 1QAN SAH 0.0009008 0.42543 11.8852
203 2C3H GLC GLC 0.009001 0.42265 12.2449
204 5GM1 SAH 0.000001788 0.52152 12.4579
205 3SSO SAH 0.0002965 0.4521 12.7717
206 3G89 SAM 0.000001424 0.58339 12.8514
207 4KIB SAH 0.000005587 0.54223 12.8852
208 3GEG NAD 0.0005874 0.40337 12.9555
209 3DUW SAH 0.006335 0.40057 13.0045
210 1KC7 PPR 0.02464 0.40248 13.0435
211 3OU2 SAH 0.000004497 0.49003 13.3028
212 4M73 SAH 0.000008913 0.42523 13.3531
213 4M73 M72 0.000054 0.40041 13.3531
214 5KOK SAH 0.000001811 0.55047 13.587
215 5KOK R9T 0.00001318 0.42937 13.587
216 5KOK S9T 0.00001461 0.42343 13.587
217 1Q0S SAH 0.001242 0.40799 14.2857
218 5M58 SAH 0.00003331 0.497 14.3478
219 4QTU SAM 0.000007913 0.52339 14.4022
220 1DL5 SAH 0.0003856 0.41859 15.142
221 1VE3 SAM 0.000000446 0.58326 16.2996
222 1EJ0 SAM 0.0001879 0.46992 17.2222
223 5L95 AMP 0.0009772 0.43494 17.5
224 4PIO AVI 0.000001992 0.45306 18.5759
225 4PIO SAH 0.000001864 0.44855 18.5759
226 1LSS NAD 0.001345 0.42304 19.2857
227 1Y9Q MED 0.03046 0.40067 21.3542
228 5E1M SAH 0.00006712 0.47619 21.5768
229 1L1E SAH 0.0008029 0.43193 21.6028
230 1XTP SAI 0.00001895 0.51296 22.0472
231 5ABU GTG 0.02377 0.4038 22.8571
232 1XDS SAM 0.00000000001703 0.81062 25.8152
233 1QZZ SAM 0.000000000217 0.7596 26.6304
234 3GWZ SAH 0.000000000003589 0.84184 27.3713
235 3GXO SAH 0.00000000002505 0.79023 27.3713
236 3LST SAH 0.000000000003427 0.84277 38.7931
237 3I53 SAH 0.000000000005062 0.76521 40.9639
238 4A6D SAM 0.000000000001643 0.80595 43.9093
Pocket No.: 3; Query (leader) PDB : 3TKY; Ligand: N7I; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3tky.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TKY; Ligand: N7I; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 3tky.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IU6 FZ1 0.0117 0.41001 1.63043
2 4PMZ BXP 0.01454 0.40067 3.63036
3 3EW2 BTN 0.008574 0.40623 11.1111
4 4Z28 BTN 0.008072 0.40052 14.1791
5 3GXO MQA 0.0006004 0.46115 27.3713
Pocket No.: 5; Query (leader) PDB : 3TKY; Ligand: N7I; Similar sites found: 9
This union binding pocket(no: 5) in the query (biounit: 3tky.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AMW 5DI 0.011 0.41019 2.71739
2 3AI3 SOL 0.009319 0.41176 4.18251
3 3OID TCL 0.01571 0.40053 4.65116
4 1XVB BBX 0.0027 0.41432 4.70588
5 1HBK MYR 0.00418 0.41443 5.61798
6 5FPN KYD 0.01984 0.41762 6.79348
7 3WUR O4B 0.003896 0.44872 9.94152
8 2XN3 ID8 0.01825 0.40048 15
9 1XDS DRA 0.0007771 0.4109 25.8152
Pocket No.: 6; Query (leader) PDB : 3TKY; Ligand: N7I; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3tky.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3TKY; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3tky.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3TKY; Ligand: SAH; Similar sites found: 50
This union binding pocket(no: 8) in the query (biounit: 3tky.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.003167 0.47122 None
2 2AWN ADP 0.01327 0.41146 1.63043
3 2XZ9 PYR 0.02141 0.40736 2.16049
4 1Y8Q ATP 0.00221 0.40122 2.31214
5 2WZ5 MET 0.00617 0.45069 2.61438
6 5MW4 5JU 0.00007145 0.41086 2.69461
7 2IF8 ADP 0.02342 0.40372 2.75482
8 4RDH AMP 0.009482 0.40312 2.77778
9 4D79 ATP 0.007488 0.40075 2.89855
10 2W58 ADP 0.02608 0.40176 2.9703
11 1V59 NAD 0.01183 0.40613 2.98913
12 2WNF CG3 A2G GAL 0.02953 0.4075 3.3557
13 3ICT ADP 0.01019 0.4092 3.53261
14 3ICS ADP 0.01421 0.40234 3.53261
15 3VY6 BGC BGC 0.007978 0.40857 3.5461
16 3MWL 8OX 0.02713 0.40042 3.86473
17 1JJV ATP 0.0205 0.40799 3.8835
18 5TQZ GLC 0.0153 0.41473 4
19 5GJC ATP 0.01315 0.40789 4.07609
20 2GUD BMA 0.002315 0.4677 4.09836
21 2GUC MAN 0.0096 0.40703 4.09836
22 4WZ6 ATP 0.02675 0.40305 4.13793
23 1R0X ATP 0.01905 0.40834 4.1958
24 5H6S HDH 0.02348 0.40771 4.34783
25 5EFC GTP 0.02707 0.40276 4.5977
26 2HMT NAI 0.001912 0.41103 4.86111
27 5GWX SAM 0.0003331 0.42169 4.92958
28 5GWX SAR 0.0003331 0.42169 4.92958
29 2OG2 MLI 0.005361 0.44364 5.01393
30 1OYY AGS 0.01555 0.40434 5.43478
31 1UZN NAP 0.005491 0.41386 5.66802
32 2WK1 SAH 0.004881 0.40112 5.67376
33 4BWL MN9 0.02706 0.40197 6.25
34 2D24 XYS XYS 0.0292 0.41481 7.06522
35 1NV8 MEQ 0.0001311 0.42892 7.39437
36 5OFW 9TW 0.01311 0.42203 7.62332
37 5DLY SAH 0.00002002 0.40453 8.64662
38 5N53 8NB 0.01484 0.4163 8.71795
39 1VBO MAN 0.02254 0.40438 8.72483
40 5F90 GLA GAL BGC 5VQ 0.02207 0.4076 8.97436
41 1ZQ9 SAM 0.002842 0.41896 9.12281
42 3LGS ADE 0.02246 0.40713 9.3633
43 1UGY GLA GLC 0.02575 0.41626 9.77444
44 1UGY GLA BGC 0.02484 0.41021 9.77444
45 5CLO NS8 0.01806 0.41377 10.1695
46 2JHP SAH 0.00791 0.40311 10.3261
47 2CBZ ATP 0.008854 0.42852 10.9705
48 2WW4 ADP 0.01365 0.40317 12.7208
49 5FUI APY 0.0008093 0.49592 12.8788
50 5E1M PRO PRO LYS ARG ILE ALA 0.00002188 0.42295 21.5768
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