Receptor
PDB id Resolution Class Description Source Keywords
3DUW 1.2 Å EC: 2.1.1.- CRYSTAL STRUCTURAL ANALYSIS OF THE O-METHYLTRANSFERASE FROM BACILLUS CEREUS IN COMPLEX SAH BACILLUS CEREUS ALTERNATING OF ALPHA AND BETA WITH COMPLEX SAH METHYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO O-METHYLTRANSFERASE FROM BACILLUS CEREUS J.MOL.BIOL. V. 382 987 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH A:224;
B:224;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DUW 1.2 Å EC: 2.1.1.- CRYSTAL STRUCTURAL ANALYSIS OF THE O-METHYLTRANSFERASE FROM BACILLUS CEREUS IN COMPLEX SAH BACILLUS CEREUS ALTERNATING OF ALPHA AND BETA WITH COMPLEX SAH METHYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO O-METHYLTRANSFERASE FROM BACILLUS CEREUS J.MOL.BIOL. V. 382 987 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 57 families.
1 3DUW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 50 families.
1 3DUW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 3DUW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3DUW; Ligand: SAH; Similar sites found: 319
This union binding pocket(no: 1) in the query (biounit: 3duw.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.005366 0.43507 None
2 5O4J 9KH 0.005208 0.42314 None
3 5O4J SAH 0.005208 0.42314 None
4 5O4J PJL 0.004988 0.4228 None
5 2BOS GLA GAL GLC 0.01216 0.41744 None
6 2BOS GLA GAL GLC NBU 0.01275 0.41575 None
7 5N53 8NB 0.02377 0.40591 None
8 3FZG SAM 0.01042 0.40126 None
9 2A14 SAH 0.002243 0.40897 1.34529
10 3JWH SAH 0.00004142 0.46288 1.38249
11 3SQP FAD 0.001234 0.51195 1.79372
12 5E8J SAH 0.0002115 0.48313 1.79372
13 5E9W SAH 0.0002035 0.43429 1.79372
14 4OBW SAM 0.001325 0.43328 1.79372
15 5JGL SAM 0.002285 0.42696 1.79372
16 4J1Q NDP 0.01069 0.40171 1.79372
17 2HMT NAI 0.0004366 0.43689 2.08333
18 1GET FAD 0.0005256 0.49607 2.24215
19 1GET NAP 0.0005625 0.49607 2.24215
20 4YJK URA 0.0008643 0.48621 2.24215
21 1RP0 AHZ 0.0003863 0.47119 2.24215
22 4UCI SAM 0.0002045 0.46367 2.24215
23 2GVC FAD 0.0007835 0.45884 2.24215
24 1LVL NAD 0.0002744 0.45055 2.24215
25 3LKZ SFG 0.0004231 0.45032 2.24215
26 2BZG SAH 0.001737 0.42821 2.24215
27 2PX8 SAH 0.001764 0.42792 2.24215
28 5D4V SAH 0.002264 0.40825 2.24215
29 1JA9 NDP 0.01079 0.40657 2.24215
30 3ITJ CIT 0.02104 0.40424 2.24215
31 4POO SAM 0.000641 0.41712 2.5
32 5X62 SAH 0.00006782 0.49439 2.69058
33 1NW5 SAM 0.000147 0.46973 2.69058
34 3ICR FAD 0.0006711 0.46697 2.69058
35 1I8T FAD 0.002047 0.44716 2.69058
36 3ICT ADP 0.002909 0.43502 2.69058
37 3ICS ADP 0.002927 0.43489 2.69058
38 1RYI FAD 0.004353 0.43418 2.69058
39 1KYQ NAD 0.003103 0.42109 2.69058
40 1ZMD NAI 0.0004205 0.41777 2.69058
41 1MXH NAP 0.00959 0.41543 2.69058
42 1SB8 UD2 0.01691 0.41503 2.69058
43 1SB8 NAD 0.01458 0.41503 2.69058
44 1MXH DHF 0.01344 0.40871 2.69058
45 3AFN NAP 0.01073 0.40784 2.69058
46 1GVF PGH 0.02229 0.40483 2.69058
47 1GV0 NAD 0.01334 0.40003 2.69058
48 3C6K MTA 0.0004489 0.47365 3.13901
49 3C6K SPD 0.0004489 0.47365 3.13901
50 3TKA SAM 0.00008139 0.47256 3.13901
51 2V3A FAD 0.0007008 0.4673 3.13901
52 5CUQ NSC 0.0005247 0.46525 3.13901
53 2C31 TZD 0.005826 0.44847 3.13901
54 2C31 ADP 0.005665 0.44847 3.13901
55 2NVK NAP 0.004328 0.44135 3.13901
56 5JJR SAH 0.0009116 0.4403 3.13901
57 1J0X NAD 0.005991 0.42966 3.13901
58 1R6D NAD 0.009268 0.42819 3.13901
59 3LST SAH 0.004234 0.42302 3.13901
60 1R6D DAU 0.01215 0.42186 3.13901
61 2O07 MTA 0.0002203 0.4168 3.13901
62 1Z3C SA8 0.0001255 0.41476 3.13901
63 5UAO FAD 0.01079 0.41308 3.13901
64 3ETG GTP 0.01562 0.41116 3.13901
65 3ETG GLU 0.02155 0.41071 3.13901
66 2WSB NAD 0.01352 0.41051 3.13901
67 4JK3 NAD 0.008325 0.4051 3.13901
68 2O07 SPD 0.0002609 0.40428 3.13901
69 4J4H 1J1 0.02413 0.40392 3.13901
70 4J4H NAI 0.02413 0.40392 3.13901
71 2JHP SAH 0.008203 0.40241 3.26087
72 3VYW SAM 0.000002676 0.53285 3.58744
73 3G2O SAM 0.00003257 0.5028 3.58744
74 4DCM SAM 0.000163 0.48283 3.58744
75 1N4W FAD 0.0009595 0.46652 3.58744
76 1RSG FAD 0.001455 0.45714 3.58744
77 4USQ FAD 0.001184 0.45209 3.58744
78 1YY5 FAD 0.002123 0.45152 3.58744
79 4TM3 FAD 0.004759 0.45095 3.58744
80 2Q28 ADP 0.0004275 0.45013 3.58744
81 1YKJ FAD 0.004641 0.44824 3.58744
82 1PS9 FAD 0.002431 0.44583 3.58744
83 2HK9 ATR 0.003607 0.43521 3.58744
84 3Q9T FAY 0.006736 0.42245 3.58744
85 4TQG NDP 0.004276 0.42062 3.58744
86 3QWI CUE 0.00858 0.42058 3.58744
87 3QWI NAP 0.005251 0.42058 3.58744
88 5MGZ SAH 0.002241 0.41969 3.58744
89 1U2Z SAH 0.000001351 0.56371 4.03587
90 4KRI SAH 0.00005503 0.47986 4.03587
91 4J36 FAD 0.0008832 0.45651 4.03587
92 3S1S SAH 0.0001095 0.45241 4.03587
93 4CNK FAD 0.001491 0.45235 4.03587
94 4J36 1HR 0.001988 0.45187 4.03587
95 2Q1S NAI 0.002607 0.44642 4.03587
96 2P41 SAH 0.0006747 0.44595 4.03587
97 3EVG SAH 0.001022 0.43815 4.03587
98 5AHO TLA 0.004927 0.43809 4.03587
99 1P77 ATR 0.005205 0.43725 4.03587
100 3CIF NAD 0.002578 0.43033 4.03587
101 1X14 NAD 0.002719 0.42363 4.03587
102 2PZM UDP 0.009048 0.42135 4.03587
103 2PZM NAD 0.009048 0.42135 4.03587
104 3CIF G3H 0.006746 0.4192 4.03587
105 5K6A NAP 0.009191 0.40723 4.03587
106 3MQ2 SAH 0.002616 0.42437 4.12844
107 2VT3 ATP 0.0015 0.40334 4.18605
108 3T7S SAM 0.0002574 0.45556 4.47761
109 1F3L SAH 0.00001366 0.49636 4.4843
110 5MPT SAH 0.0001808 0.47065 4.4843
111 1ELI PYC 0.0006063 0.47017 4.4843
112 1X87 NAD 0.00007633 0.45961 4.4843
113 4AT0 FAD 0.001967 0.45585 4.4843
114 3NTD FAD 0.001679 0.45 4.4843
115 1KPH SAH 0.0005392 0.44991 4.4843
116 3GCZ SAM 0.0005718 0.44051 4.4843
117 1L1E SAH 0.000595 0.43748 4.4843
118 1KPG SAH 0.0004739 0.43531 4.4843
119 2PT9 S4M 0.0002424 0.42772 4.4843
120 1Y8Q ATP 0.0003699 0.42735 4.4843
121 1VE3 SAM 0.001845 0.42707 4.4843
122 5F7J ADE 0.01077 0.42392 4.4843
123 4N49 SAM 0.001366 0.42328 4.4843
124 2GDZ NAD 0.005616 0.41673 4.4843
125 1Q19 SSC 0.01422 0.41277 4.4843
126 1XHL NDP 0.01242 0.40382 4.4843
127 2PXX SAH 0.0009767 0.43495 4.65116
128 2WPF WPF 0.001795 0.48505 4.93274
129 2WPF FAD 0.002361 0.4776 4.93274
130 1V6A TRE 0.001144 0.47324 4.93274
131 3LAD FAD 0.0006863 0.4722 4.93274
132 3UOY NAP 0.002882 0.46091 4.93274
133 2VDV SAM 0.001005 0.45189 4.93274
134 3BXO SAM 0.0001667 0.44599 4.93274
135 1EXF GLY 0.004506 0.44011 4.93274
136 3BGD SAH 0.0006064 0.42563 4.93274
137 1V5F FAD 0.0249 0.4135 4.93274
138 3QPB URA 0.01914 0.4115 4.93274
139 3CMC NAD 0.03706 0.40617 4.93274
140 5XVK SAH 0.002556 0.40083 4.93274
141 2V6G NAP 0.01396 0.40037 4.93274
142 3QOX SAH 0.000001658 0.55988 5.38117
143 1UAY ADN 0.001514 0.44366 5.38117
144 2WA2 SAM 0.0006296 0.43413 5.38117
145 3NJ4 AFX 0.02451 0.43294 5.38117
146 3NJ4 NAD 0.02451 0.43294 5.38117
147 3MJE NDP 0.004267 0.42202 5.38117
148 3NUG NAD 0.007313 0.41291 5.38117
149 5MW4 5JU 0.0001214 0.40169 5.38117
150 1FP1 SAH 0.003886 0.40033 5.38117
151 5FA8 SAM 0.000004712 0.50669 5.59006
152 4KRG SAH 0.00004613 0.47942 5.8296
153 1ZGA SAH 0.0009323 0.45339 5.8296
154 2B9W FAD 0.004866 0.443 5.8296
155 4AZT SAM 0.001942 0.42611 5.8296
156 5TVF CGQ 0.005883 0.42053 5.8296
157 4AZW SAM 0.002152 0.42043 5.8296
158 5K7U SAM 0.002996 0.41797 5.8296
159 1ORR NAD 0.008341 0.41276 5.8296
160 1KYZ SAH 0.004371 0.41088 5.8296
161 3WV8 ATP 0.0008632 0.43722 5.9633
162 1JNR FAD 0.01014 0.43778 6
163 5IL1 SAM 0.002811 0.41916 6.13208
164 3CM2 X23 0.02803 0.40243 6.15385
165 4KIB SAH 0.00002819 0.48944 6.27803
166 3GDN HBX 0.001782 0.4605 6.27803
167 3GDN FAD 0.00123 0.4605 6.27803
168 2YVF NAD 0.002686 0.45899 6.27803
169 2YVF FAD 0.002596 0.45899 6.27803
170 1PR9 NAP 0.001134 0.45165 6.27803
171 4USR FAD 0.001309 0.44886 6.27803
172 3L9W GSH 0.00002078 0.44625 6.27803
173 3L9W AMP 0.00002268 0.43404 6.27803
174 3UCL NAP 0.01421 0.42776 6.27803
175 3UCL CYH 0.01306 0.42776 6.27803
176 3UCL FAD 0.01306 0.42776 6.27803
177 2AOT SAH 0.0006346 0.42633 6.27803
178 3K8L CEX 0.01934 0.41607 6.27803
179 1BXG NAD 0.0065 0.40981 6.27803
180 3B1F NAD 0.002554 0.40441 6.27803
181 4BVA NDP 0.01227 0.40288 6.27803
182 4BVA T3 0.01939 0.40139 6.27803
183 2HJR APR 0.002203 0.40129 6.27803
184 1G55 SAH 0.00001862 0.50768 6.72646
185 1V59 FAD 0.0003088 0.49144 6.72646
186 4MIG G3F 0.0008736 0.47328 6.72646
187 3CTY FAD 0.001064 0.46545 6.72646
188 5THZ SAH 0.0002916 0.4633 6.72646
189 5THY SAH 0.0001711 0.45963 6.72646
190 2RGO FAD 0.001282 0.4542 6.72646
191 1V59 NAD 0.0001888 0.43838 6.72646
192 5GWX SAM 0.00007823 0.43555 6.72646
193 5GWX SAR 0.00007823 0.43555 6.72646
194 5BW4 SAM 0.001689 0.43276 6.72646
195 9LDT NAD 0.005869 0.41717 6.72646
196 3DXY SAM 0.000145 0.49661 6.88073
197 1LSS NAD 0.00005666 0.47894 7.14286
198 5KOK SAH 0.0001099 0.47507 7.17489
199 1XCL SAH 0.0000006678 0.47181 7.17489
200 5THQ NDP 0.002842 0.42985 7.17489
201 4KOA NDP 0.004312 0.41477 7.17489
202 4D42 W0I 0.01714 0.41327 7.17489
203 4D42 NAP 0.01714 0.41327 7.17489
204 5XVQ SAH 0.002619 0.40106 7.17489
205 2EJU SAH 0.000005343 0.53669 7.62332
206 5E1M SAH 0.00009093 0.47077 7.62332
207 1G60 SAM 0.0002108 0.46311 7.62332
208 5ULP KB1 0.00009878 0.45015 7.62332
209 4XFR CIT 0.03056 0.40135 7.62332
210 1P1C SAH 0.000003478 0.50868 8.0402
211 4PNE SAH 0.000374 0.43565 8.07175
212 1O97 AMP 0.01206 0.42418 8.07175
213 4FC7 COA 0.00855 0.42158 8.07175
214 4FC7 NAP 0.00855 0.42158 8.07175
215 1LDN NAD 0.004903 0.42065 8.07175
216 1S7G APR 0.008646 0.41206 8.07175
217 1S7G NAD 0.01358 0.40091 8.07175
218 4LWP SAH 0.00002257 0.49831 8.52018
219 3VSE SAH 0.00005554 0.45569 8.52018
220 5DNK SAH 0.0003425 0.42464 8.52018
221 3PT9 SAH 0.000003177 0.53351 8.96861
222 3A27 SAM 0.0000916 0.4834 8.96861
223 2BRY FAD 0.0003035 0.4773 8.96861
224 5GM1 SAH 0.0002197 0.44481 8.96861
225 1XTP SAI 0.0004401 0.44441 8.96861
226 1G0N PHH 0.006751 0.42538 8.96861
227 1G0N NDP 0.006352 0.42361 8.96861
228 1KEW NAD 0.01156 0.42214 8.96861
229 4D79 ATP 0.002496 0.4214 8.96861
230 4TXI FAD 0.0001396 0.40043 8.96861
231 3H2B SAH 0.00006183 0.48564 9.35961
232 5HJM MTA 0.0002724 0.45841 9.41704
233 5MX4 HPA 0.009608 0.42767 9.41704
234 4DMG SAM 0.00002788 0.53046 9.86547
235 1QAN SAH 0.000002268 0.52644 9.86547
236 3S5W FAD 0.0002579 0.47753 9.86547
237 5L95 AMP 0.0005225 0.44644 9.86547
238 3H8V ATP 0.001198 0.43517 9.86547
239 1AE1 NAP 0.01239 0.40503 9.86547
240 2IZ1 ATR 0.0007462 0.48355 10.3139
241 3NT6 FAD 0.004588 0.43007 10.3139
242 5E72 SAM 0.000009679 0.52461 10.7623
243 4BLW AMP 0.0001093 0.49863 10.7623
244 4BLW SAH 0.00006285 0.49785 10.7623
245 2ZFU SAH 0.00211 0.42272 11.1628
246 2ZIF SAM 0.00001183 0.516 11.2108
247 1FEC FAD 0.001472 0.46081 11.2108
248 2PS1 ORO 0.0127 0.41288 11.2108
249 2VHW NAI 0.01054 0.41149 11.2108
250 1NM5 NAD 0.02257 0.40904 11.33
251 1NM5 NAP 0.0218 0.40904 11.33
252 1I9G SAM 0.000000812 0.55454 11.6592
253 2DPM SAM 0.000008255 0.50485 11.6592
254 4RDH AMP 0.001585 0.43824 11.6592
255 4RDI ATP 0.002814 0.41915 11.6592
256 3R75 PYR 0.02284 0.40537 11.6592
257 3IWD M2T 0.01963 0.40767 11.7647
258 2YX1 SFG 0.00004965 0.51219 12.5561
259 2GAG NAD 0.001064 0.45787 12.5561
260 2DKH FAD 0.001067 0.45283 12.5561
261 2DKH 3HB 0.001625 0.45175 12.5561
262 2GAG FAD 0.006379 0.43019 12.5561
263 2GAG FOA 0.006805 0.42888 12.5561
264 1PNO NAP 0.0119 0.40224 12.7778
265 1XDS SAM 0.005936 0.41623 12.8342
266 3OU2 SAH 0.00008669 0.44318 12.844
267 3Q87 SAM 0.0001186 0.45402 12.9412
268 3AD8 NAD 0.0009081 0.45728 13.0045
269 5EB4 FAD 0.001338 0.4567 13.0045
270 1TPY SAH 0.0005443 0.44974 13.0045
271 3AD8 FAD 0.008467 0.43753 13.0045
272 3TKY SAH 0.006335 0.40057 13.0045
273 3WLE NAD 0.008334 0.41613 13.1965
274 1I1N SAH 0.00004612 0.50557 13.4529
275 5DWQ SFG 0.00001919 0.51628 13.9013
276 5DX0 SFG 0.00002611 0.51255 13.9013
277 5DXA SFG 0.00001557 0.48558 13.9013
278 5DX8 SFG 0.00002002 0.48181 13.9013
279 5DX1 SFG 0.00003554 0.45894 13.9013
280 3A25 SAM 0.0003982 0.45584 13.9013
281 5F8F SFG 0.0007014 0.45423 13.9013
282 5JE0 SAH 0.00005202 0.42137 14.3498
283 5JE0 AZ8 0.00005202 0.42137 14.3498
284 3T31 DCQ 0.006662 0.43722 14.7982
285 3T31 FAD 0.006207 0.43722 14.7982
286 4PIO SAH 0.001268 0.45075 15.2466
287 4PIO AVI 0.001278 0.44931 15.2466
288 4EIP FAD 0.003034 0.44432 15.2466
289 4EIP K2C 0.00466 0.43743 15.2466
290 1SQF SAM 0.0003079 0.46066 16.1435
291 3LXD FAD 0.003572 0.43169 16.1435
292 4R6W SAH 0.00008128 0.41249 16.1435
293 3GEG NAD 0.001742 0.43636 16.5919
294 1MO9 FAD 0.001071 0.4882 17.4888
295 1MO9 KPC 0.001398 0.48308 17.4888
296 2PWY SAH 0.000000208 0.59866 17.9372
297 1JG3 ADN 0.00001155 0.52224 19.7309
298 1YXM ADE 0.01333 0.41909 19.7309
299 1UP7 NAD 0.004712 0.41443 19.7309
300 3QDW A2G 0.01228 0.41809 21.6783
301 4GQB 0XU 0.0002293 0.43462 22.7273
302 3MB5 SAM 0.0000002207 0.55614 23.3184
303 2CDU FAD 0.001405 0.45121 23.3184
304 2CDU ADP 0.0009833 0.42531 23.3184
305 2F5Z FAD 0.0001243 0.5076 23.4375
306 1R18 SAH 0.00001341 0.49703 24.2152
307 1L3I SAH 0.000002613 0.49168 24.4792
308 1Q0S SAH 0.000007306 0.49002 24.6637
309 5FA5 MTA 0.001887 0.43483 25
310 1DL5 SAH 0.0000001038 0.61935 26.4574
311 4NEC SAH 0.0005779 0.45802 26.4574
312 4YMH SAH 0.0000000000005785 0.80273 29.5964
313 3HVJ 705 0.00000000004776 0.79168 32.5792
314 4XUC 43G 0.00000000001324 0.58837 33.4862
315 4XUC SAM 0.00000000001324 0.58837 33.4862
316 2XVM SAH 0.000257 0.43899 39.196
317 3C3Y SAH 0.00000000003445 0.75007 39.9103
318 2HNK SAH 0.0000000000007691 0.799 45.7399
319 5KVA SAM 0.00000000002938 0.7179 48.4305
Pocket No.: 2; Query (leader) PDB : 3DUW; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3duw.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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