Receptor
PDB id Resolution Class Description Source Keywords
3BGD 2 Å EC: 2.1.1.67 THIOPURINE S-METHYLTRANSFERASE MUS MUSCULUS METHYLTRANSFERASE CYTOPLASM S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RECOGNITION IN THIOPURINE S-METHYLTRANSFERASE BIOCHEMISTRY V.47 ( 6216 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PM6 A:301;
A:302;
B:301;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
152.177 C5 H4 N4 S c1[nH...
SAH A:300;
B:300;
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
3BGD 2 Å EC: 2.1.1.67 THIOPURINE S-METHYLTRANSFERASE MUS MUSCULUS METHYLTRANSFERASE CYTOPLASM S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RECOGNITION IN THIOPURINE S-METHYLTRANSFERASE BIOCHEMISTRY V.47 ( 6216 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BGI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3BGD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BZG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3BGI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3BGD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BZG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3BGI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3BGD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PM6; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PM6 1 1
2 ADE 0.5 0.742857
3 ES4 0.463415 0.666667
4 XQG 0.422222 0.878788
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 : 3BGD; Ligand: SAH; Similar sites found: 391
This union binding pocket(no: 1) in the query (biounit: 3bgd.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CS9 AMP 0.006925 0.42677 None
2 1G60 SAM 0.00007292 0.48919 0.769231
3 5N5D SAM 0.0006581 0.42344 1.32743
4 1BC5 SAH 0.001154 0.42662 1.53846
5 5U8U FAD 0.01115 0.42256 1.53846
6 4HXY NDP 0.004014 0.41489 1.53846
7 4NTC FAD 0.01154 0.40612 1.53846
8 1NJR XYL 0.00143 0.40259 1.53846
9 1XTP SAI 0.00007329 0.45601 1.5748
10 1G55 SAH 0.000005634 0.53703 1.92308
11 5KVA SAM 0.0001834 0.4546 1.92308
12 4N49 SAM 0.0002027 0.44834 1.92308
13 4YUW 4JU 0.008337 0.44383 1.92308
14 4YUW S4M 0.008168 0.44383 1.92308
15 3QVP FAD 0.001759 0.44382 1.92308
16 2AOT SAH 0.0001278 0.43571 1.92308
17 3VYW SAM 0.002039 0.42334 1.92308
18 4UP3 FAD 0.00445 0.42322 1.92308
19 3U31 NAD 0.002487 0.41633 1.92308
20 2WPB ZZI 0.02846 0.40402 1.92308
21 2AE2 NAP 0.01328 0.40253 1.92308
22 2AE2 PTO 0.01328 0.40253 1.92308
23 4OBW SAM 0.0004533 0.45941 1.94553
24 5FTW SAH 0.0009284 0.43776 1.95312
25 2NXE SAM 0.001303 0.43927 1.9685
26 1Z3C SA8 0.000205 0.46758 2.01342
27 1TE2 PGA 0.02948 0.40455 2.21239
28 1N2X SAM 0.00006273 0.47791 2.30769
29 4FZV SAM 0.00006531 0.4669 2.30769
30 1UWK NAD 0.0006492 0.46483 2.30769
31 3DMH SAM 0.000701 0.44291 2.30769
32 5F2K OCA 0.004201 0.41533 2.30769
33 5F2K SAH 0.004201 0.41533 2.30769
34 5E9W SAH 0.0003027 0.41418 2.30769
35 5HSA FAS 0.01043 0.40805 2.30769
36 3DMH GMP 0.001289 0.40354 2.30769
37 3GDN FAD 0.01498 0.40206 2.30769
38 3GDN HBX 0.0209 0.40206 2.30769
39 3ICT FAD 0.01173 0.40194 2.30769
40 3ICR FAD 0.01187 0.40171 2.30769
41 3MB5 SAM 0.00005982 0.47875 2.35294
42 2EJU SAH 0.00002347 0.51588 2.6455
43 2EG5 SAH 0.00003514 0.52594 2.69231
44 1QZZ SAM 0.00006843 0.51236 2.69231
45 1XDS SAM 0.00007276 0.51112 2.69231
46 3T7S SAM 0.000004132 0.50037 2.69231
47 5DM1 SAH 0.0001149 0.48965 2.69231
48 5DM1 5D7 0.000123 0.48965 2.69231
49 5DNK SAH 0.000002757 0.46675 2.69231
50 4KRG SAH 0.00003678 0.45638 2.69231
51 1ELI PYC 0.002355 0.43309 2.69231
52 4D7E FAD 0.002523 0.42955 2.69231
53 1ZGA SAH 0.000144 0.42912 2.69231
54 1PN0 IPH 0.004855 0.42889 2.69231
55 1PN0 FAD 0.004647 0.42889 2.69231
56 4FWE FAD 0.004292 0.42682 2.69231
57 1KYQ NAD 0.003552 0.42384 2.69231
58 1GET FAD 0.01392 0.41873 2.69231
59 1GET NAP 0.01476 0.41873 2.69231
60 5JGL SAM 0.0004728 0.4185 2.69231
61 4USR FAD 0.004217 0.41649 2.69231
62 1XKQ NDP 0.005283 0.41234 2.69231
63 2E5V FAD 0.009726 0.41121 2.69231
64 4CNK FAD 0.009307 0.4073 2.69231
65 5A3B APR 0.005397 0.40404 2.69231
66 3FZG SAM 0.0008173 0.45704 3
67 3A25 SAM 0.000009419 0.5333 3.07692
68 4DMG SAM 0.0001384 0.50394 3.07692
69 3PT9 SAH 0.00000501 0.49493 3.07692
70 4C4A SAH 0.00009747 0.4536 3.07692
71 3RKR NAP 0.004625 0.43523 3.07692
72 1RSG FAD 0.004186 0.42635 3.07692
73 1YY5 FAD 0.005169 0.4242 3.07692
74 5MBX SP5 0.01056 0.41764 3.07692
75 5MBX FAD 0.01056 0.41764 3.07692
76 4YAG NAI 0.008044 0.41392 3.07692
77 4USQ FAD 0.005461 0.41291 3.07692
78 3EF0 ALF 0.0194 0.41182 3.07692
79 3IHG FAD 0.004783 0.40903 3.07692
80 2CDU FAD 0.007802 0.40852 3.07692
81 3LXD FAD 0.007368 0.40849 3.07692
82 2YVF NAD 0.02247 0.40669 3.07692
83 2YVF FAD 0.02178 0.40669 3.07692
84 3P2E SAH 0.0002442 0.46222 3.11111
85 1L3I SAH 0.00005763 0.48531 3.125
86 2PXX SAH 0.000004581 0.5409 3.25581
87 3EVG SAH 0.00009418 0.44848 3.27273
88 1KPG SAH 0.000003389 0.5348 3.46154
89 4LWP SAH 0.00001827 0.47504 3.46154
90 5ULP KB1 0.00008946 0.47366 3.46154
91 3GU3 SAH 0.00000362 0.46473 3.46154
92 4II2 ATP 0.000362 0.45501 3.46154
93 1ZQ9 SAM 0.0005875 0.45446 3.46154
94 2A14 SAH 0.0003887 0.44134 3.46154
95 1I8T FAD 0.003714 0.42561 3.46154
96 3UCL FAD 0.0114 0.42213 3.46154
97 3UCL NAP 0.01247 0.42213 3.46154
98 3UCL CYH 0.0114 0.42213 3.46154
99 2WA2 SAM 0.0004303 0.41842 3.46154
100 4D79 ATP 0.0007405 0.41827 3.46154
101 4FC7 COA 0.006634 0.41759 3.46154
102 4FC7 NAP 0.006634 0.41759 3.46154
103 4XQC 13D 0.007815 0.41628 3.46154
104 1RYI FAD 0.006915 0.41586 3.46154
105 5JCM ISD 0.01951 0.41134 3.46154
106 5JCM NAD 0.01951 0.41134 3.46154
107 5JCM FAD 0.01894 0.41134 3.46154
108 4XQC NAD 0.01054 0.40967 3.46154
109 4DCM SAM 0.0009671 0.40215 3.46154
110 1I1N SAH 0.0002212 0.46295 3.53982
111 3G89 SAM 0.000001129 0.59596 3.61446
112 1IM8 SAI 0.0000343 0.49816 3.84615
113 3LCV SAM 0.00004815 0.48257 3.84615
114 3TKY SAH 0.00003552 0.47281 3.84615
115 3NDJ SAH 0.0006406 0.46608 3.84615
116 3NDJ JHZ 0.0006406 0.46608 3.84615
117 1NV8 SAM 0.0002363 0.46341 3.84615
118 1NV8 MEQ 0.0002317 0.46211 3.84615
119 3S1S SAH 0.0009414 0.43021 3.84615
120 1V59 FAD 0.00959 0.41323 3.84615
121 2YY7 NAD 0.005546 0.40898 3.84615
122 1V59 NAD 0.0002952 0.40836 3.84615
123 1R18 SAH 0.00009765 0.47446 3.96476
124 1TPY SAH 0.000004113 0.52073 4.23077
125 3A4T SFG 0.00002729 0.49735 4.23077
126 1U2Z SAH 0.00002598 0.49343 4.23077
127 4IWN GEK 0.0003479 0.44774 4.23077
128 3X0D SAH 0.0001499 0.44771 4.23077
129 1Q9I TEO 0.006895 0.42746 4.23077
130 2C7G FAD 0.0114 0.41684 4.23077
131 2C7G ODP 0.01145 0.41604 4.23077
132 1V5F FAD 0.02547 0.40538 4.23077
133 3NTD FAD 0.0113 0.40365 4.23077
134 3BXO SAM 0.00003313 0.44924 4.60251
135 2HNK SAH 0.0002156 0.44624 4.60251
136 5X62 SAH 0.000005211 0.55099 4.61538
137 5BW4 SAM 0.00001843 0.47262 4.61538
138 1DL5 SAH 0.0005064 0.44642 4.61538
139 5TTJ FAD 0.002225 0.43525 4.61538
140 2RAB FAD 0.003058 0.43423 4.61538
141 2RAB NAD 0.006425 0.43423 4.61538
142 4TXI FAD 0.002339 0.42607 4.61538
143 1N4W FAD 0.005487 0.42214 4.61538
144 1XHC FAD 0.005656 0.41452 4.61538
145 4ZCC NAI 0.01315 0.41113 4.61538
146 4ZCC FAD 0.01315 0.41113 4.61538
147 2DKH FAD 0.006027 0.40991 4.61538
148 2DKH 3HB 0.009026 0.40888 4.61538
149 5ITV NAI 0.007158 0.40432 4.70588
150 5LOG SAH 0.0001486 0.44879 4.72103
151 3DUW SAH 0.0006064 0.42563 4.93274
152 4QAR ADE 0.003735 0.43086 4.97512
153 4KRI SAH 0.000003796 0.51553 5
154 4GQB 0XU 0.00009432 0.47272 5
155 3FUU ADN 0.000231 0.46765 5
156 1WG8 SAM 0.0001635 0.46298 5
157 2EFJ SAH 0.00003787 0.45811 5
158 1NW5 SAM 0.000086 0.45694 5
159 1I9G SAM 0.0001915 0.44886 5
160 4BLW AMP 0.0008033 0.44832 5
161 1O97 AMP 0.002535 0.44637 5
162 1O97 FAD 0.002535 0.44637 5
163 5FA5 MTA 0.00007142 0.44054 5
164 3L9W AMP 0.00108 0.43884 5
165 4BLW SAH 0.0008387 0.43739 5
166 1LVL NAD 0.0009841 0.43669 5
167 5BVA FAD 0.003027 0.43442 5
168 1KYZ SAH 0.0003921 0.42915 5
169 1QO8 FAD 0.004213 0.42623 5
170 3L9W GSH 0.002363 0.42179 5
171 1KYZ FER 0.002222 0.42145 5
172 2O07 MTA 0.0008087 0.41164 5
173 2IV2 MGD 0.009476 0.40489 5
174 1JQD SAH 0.0009185 0.40451 5
175 1E1M FAD 0.02004 0.40433 5
176 4REP FAD 0.01158 0.40418 5
177 3LGS SAH 0.01694 0.40355 5
178 2O07 SPD 0.0009273 0.40023 5
179 3CBG SAH 0.0005424 0.46048 5.17241
180 3GEG NAD 0.004581 0.40842 5.26316
181 2VDV SAM 0.000004598 0.56736 5.28455
182 5K7U SAM 0.0001497 0.44326 5.33333
183 5DWQ SFG 0.00001083 0.51104 5.38462
184 5DXA SFG 0.00001461 0.50356 5.38462
185 5DX0 SFG 0.00002089 0.50147 5.38462
186 5DX8 SFG 0.00002138 0.49686 5.38462
187 5DX1 SFG 0.0000298 0.49515 5.38462
188 5KOK S9T 0.0001486 0.47946 5.38462
189 5E72 SAM 0.00004371 0.47856 5.38462
190 5KOK SAH 0.00005268 0.46632 5.38462
191 5T67 JHZ 0.0006116 0.46597 5.38462
192 5T67 SAH 0.0004932 0.46471 5.38462
193 4PIO SAH 0.000452 0.45893 5.38462
194 4PIO AVI 0.0004309 0.45845 5.38462
195 5KOK R9T 0.0007797 0.44755 5.38462
196 3TKA SAM 0.0004292 0.43483 5.38462
197 5J60 FAD 0.003299 0.42887 5.38462
198 2R4J 13P 0.01131 0.41482 5.38462
199 2RGO FAD 0.006102 0.41418 5.38462
200 4Z24 FAD 0.01166 0.40684 5.38462
201 5KMS FAD 0.009289 0.40526 5.38462
202 2PX8 SAH 0.001598 0.4037 5.38462
203 2AQJ FAD 0.02713 0.40166 5.38462
204 2AQJ TRP 0.02628 0.40166 5.38462
205 4R6W SAH 0.0000352 0.43871 5.42636
206 3HVJ 705 0.0002899 0.47107 5.42986
207 1P1C SAH 0.0008033 0.433 5.52764
208 3OFK SAH 0.001401 0.42664 5.55556
209 5N53 8NB 0.03297 0.40152 5.64103
210 5IL1 SAM 0.0000502 0.50138 5.66038
211 5GM1 SAH 0.00002062 0.4975 5.72391
212 1VE3 SAM 0.00005611 0.49926 5.72687
213 1QAN SAH 0.0002773 0.45572 5.7377
214 2ZWA SAH 0.0005215 0.44439 5.7554
215 1KPH SAH 0.000003612 0.52284 5.76923
216 3I53 SAH 0.00004588 0.47417 5.76923
217 4M38 SAH 0.000155 0.47055 5.76923
218 4POO SAM 0.0001497 0.46454 5.76923
219 4M37 SAH 0.0002159 0.44167 5.76923
220 4YRY FAD 0.005127 0.42249 5.76923
221 3UOY FAD 0.01385 0.41942 5.76923
222 3UOY NAP 0.01385 0.41942 5.76923
223 3GDH SAH 0.000007923 0.50599 5.80913
224 4NTD FAD 0.008307 0.40944 5.88235
225 1JG3 ADN 0.00006726 0.49581 5.95745
226 2AJH MET 0.005831 0.44364 6.12245
227 2YX1 SFG 0.000005964 0.46873 6.15385
228 1GPE FAD 0.001478 0.44909 6.15385
229 2PT9 2MH 0.001033 0.44368 6.15385
230 2PT9 S4M 0.0005577 0.443 6.15385
231 4D04 NAP 0.00859 0.42651 6.15385
232 4D04 FAD 0.00859 0.42651 6.15385
233 1KNR FAD 0.005606 0.41886 6.15385
234 5JWC FAD 0.01021 0.40242 6.15385
235 1NFQ NAI 0.008533 0.40232 6.15385
236 5MGZ SAH 0.00002515 0.47789 6.35593
237 5JE0 SAH 0.00008406 0.48538 6.47773
238 5JE0 AZ8 0.00008406 0.48538 6.47773
239 5M58 SAH 0.0001363 0.44977 6.52174
240 3OU2 SAH 0.0001117 0.45623 6.53846
241 5BUK FAD 0.002267 0.43995 6.53846
242 1RJD SAM 0.0003805 0.43814 6.53846
243 4MO2 FDA 0.002937 0.42785 6.53846
244 1REO FAD 0.004547 0.4218 6.53846
245 1JQ3 AAT 0.000266 0.40525 6.53846
246 3ML1 MGD 0.02549 0.40877 6.66667
247 4IF4 BEF 0.02223 0.40092 6.73077
248 3EGI ADP 0.000002963 0.61048 6.79612
249 5FA8 SAM 0.00002975 0.49105 6.8323
250 3H2B SAH 0.00005843 0.46344 6.89655
251 2OBF SAH 0.002708 0.43462 6.92042
252 2OBF F83 0.002708 0.43462 6.92042
253 1L1E SAH 0.00001348 0.51525 6.92308
254 1F3L SAH 0.00001097 0.51371 6.92308
255 2P41 SAH 0.00012 0.48476 6.92308
256 4RSL FAD 0.001615 0.43785 6.92308
257 4OPC FDA 0.01768 0.42636 6.92308
258 2WPF FAD 0.01892 0.42409 6.92308
259 1FEC FAD 0.005768 0.42386 6.92308
260 2WPF WPF 0.02052 0.42366 6.92308
261 1X87 NAD 0.001461 0.42247 6.92308
262 2VVM FAD 0.007015 0.41462 6.92308
263 4YMH SAH 0.00049 0.44946 7.08333
264 5I39 FAD 0.004664 0.42028 7.10784
265 2ZIF SAM 0.00001019 0.49037 7.30769
266 4A6D SAM 0.00007547 0.48855 7.30769
267 3LST SAH 0.0005536 0.46978 7.30769
268 4RPL 3UC 0.003518 0.44693 7.30769
269 4RPL FAD 0.004923 0.43826 7.30769
270 5FJN FAD 0.004573 0.42466 7.30769
271 5FJN BE2 0.005286 0.42466 7.30769
272 3SQP FAD 0.04481 0.42202 7.30769
273 2AG5 NAD 0.001375 0.43303 7.31707
274 2PWY SAH 0.00008675 0.4722 7.36434
275 3EGV SAH 0.0006243 0.45774 7.48299
276 3FRH SAH 0.00007368 0.47508 7.50988
277 2XVM SAH 0.0004758 0.41299 7.53769
278 4QTU SAM 0.00002635 0.50821 7.69231
279 3VSE SAH 0.000004338 0.46694 7.69231
280 4YNU FAD 0.006774 0.41902 7.69231
281 4MIG G3F 0.01012 0.41466 7.69231
282 4YNU LGC 0.01063 0.41372 7.69231
283 1Q0S SAH 0.00007569 0.47662 7.72201
284 1WY7 SAH 0.000138 0.45861 7.72947
285 1UAY ADN 0.001129 0.45526 7.85124
286 5E1M SAH 0.000127 0.48235 7.88382
287 5E1M PRO PRO LYS ARG ILE ALA 0.000127 0.48235 7.88382
288 3VC1 SAH 0.00003501 0.51457 8.07692
289 2JJQ SAH 0.00006985 0.51195 8.07692
290 4PNE SAH 0.00001571 0.50228 8.07692
291 4Y2H SAH 0.00008773 0.496 8.07692
292 3TLJ SAH 0.00002525 0.49393 8.07692
293 4Y2H 49K 0.00009828 0.49386 8.07692
294 5F8F SFG 0.000008889 0.47698 8.07692
295 5XVK SAH 0.0003924 0.44562 8.07692
296 5XVQ SAH 0.0005425 0.43992 8.07692
297 4EUE NAI 0.001231 0.43783 8.07692
298 3GRU AMP 0.00078 0.43352 8.07692
299 3LKZ SFG 0.0003715 0.43294 8.07692
300 4C3Y ANB 0.004058 0.43062 8.07692
301 4C3Y FAD 0.003196 0.43049 8.07692
302 3O7W SAM 0.0001419 0.4288 8.07692
303 1JNR FAD 0.01069 0.42809 8.07692
304 4BV6 FAD 0.006928 0.41582 8.07692
305 4AT0 FAD 0.009858 0.41436 8.07692
306 3VC1 GST 0.00003501 0.40656 8.07692
307 3Q87 SAM 0.002382 0.41385 8.23529
308 4XUC SAM 0.0004737 0.45807 8.25688
309 4XUC 43G 0.0004737 0.45807 8.25688
310 4NEC SAH 0.000002069 0.57611 8.46154
311 2FK8 SAM 0.00003746 0.49654 8.46154
312 3S5W FAD 0.003434 0.41774 8.46154
313 3CTY FAD 0.01111 0.40954 8.46154
314 5G3U FDA 0.009584 0.40675 8.46154
315 3U4C NDP 0.005615 0.40613 8.46154
316 3F8D FAD 0.02974 0.40563 8.46154
317 4X9M FAD 0.01158 0.40513 8.46154
318 5JCA FAD 0.01364 0.40386 8.46154
319 1XHL NDP 0.008579 0.40222 8.46154
320 5JCA NDP 0.02971 0.40108 8.46154
321 1VHW ADN 0.02131 0.40243 8.69565
322 3G2O SAM 0.00007477 0.49379 8.84615
323 4M73 SAH 0.0002406 0.47326 8.84615
324 2DPM SAM 0.000073 0.47009 8.84615
325 3C6K MTA 0.000835 0.45013 8.84615
326 3C6K SPD 0.000835 0.45013 8.84615
327 4KIB SAH 0.0001265 0.44002 8.84615
328 4RDH AMP 0.002071 0.43851 8.84615
329 2Q1S NAI 0.006806 0.41803 8.84615
330 4YSX FAD 0.008161 0.41176 8.84615
331 4RDI ATP 0.001532 0.40728 8.84615
332 4M73 M72 0.00008737 0.40307 8.84615
333 5THZ SAH 0.0007199 0.43493 9.1358
334 5THY SAH 0.001757 0.41191 9.1358
335 3MQ2 SAH 0.0004395 0.46459 9.17431
336 1Y8Q ATP 0.0001526 0.45563 9.23077
337 1BZL FAD 0.01852 0.42497 9.23077
338 4EIP K2C 0.01586 0.40435 9.23077
339 4EIP FAD 0.01586 0.40435 9.23077
340 3BBH SFG 0.008052 0.40785 9.26829
341 1E6E FAD 0.008559 0.40679 9.375
342 1RP0 AHZ 0.00443 0.41435 9.61539
343 4TM3 FAD 0.02953 0.40468 9.61539
344 4ONQ SFG 0.00001509 0.52431 10
345 5L95 AMP 0.001495 0.40976 10
346 2IZ1 ATR 0.0238 0.40892 10
347 3JWH SAH 0.00004461 0.43467 10.1382
348 2UYQ SAM 0.00009151 0.53614 10.3846
349 5MPT SAH 0.0004989 0.42223 10.3846
350 3SSO SAH 0.003075 0.41581 10.3846
351 5DLY 5D7 0.0002329 0.47765 10.5263
352 5DLY SAH 0.0002038 0.47765 10.5263
353 2BRY FAD 0.002968 0.42296 10.7692
354 2XVE FAD 0.009792 0.42259 10.7692
355 2XVF FAD 0.004405 0.42028 10.7692
356 2Q28 ADP 0.006556 0.40508 11.1538
357 5E8J SAH 0.0002585 0.48529 11.3636
358 1D4D FAD 0.003186 0.4325 11.5385
359 1H82 GZZ 0.009175 0.42455 11.9231
360 1H82 FAD 0.007706 0.42455 11.9231
361 1YXM ADE 0.01256 0.41327 11.9231
362 4AZT SAM 0.0004971 0.45765 12.3077
363 1FP1 SAH 0.00003612 0.45474 12.3077
364 5JAQ NAI 0.002087 0.43644 12.3077
365 4AZW SAM 0.0004915 0.42723 12.3077
366 3LAD FAD 0.008179 0.41361 12.3077
367 3AD8 NAD 0.001723 0.43423 13.3005
368 2GAG NAD 0.002824 0.42859 13.3333
369 2GAG FAD 0.00638 0.42105 13.3333
370 2GAG FOA 0.01075 0.41102 13.3333
371 5HJM MTA 0.000003856 0.54412 13.4615
372 3GXO SAH 0.0008952 0.45523 13.4615
373 3GWZ SAH 0.0002979 0.41943 13.4615
374 3DXY SAM 0.000006743 0.56694 13.7615
375 3ZNN FAD 0.01964 0.40679 14.2308
376 1EJ0 SAM 0.0002861 0.43381 14.4444
377 5JJR SAH 0.0004467 0.45969 14.6154
378 5CUQ NSC 0.000583 0.45151 14.6154
379 3A27 SAM 0.00003952 0.50595 14.7059
380 3GCZ SAM 0.0001554 0.44054 15
381 2XYQ SAH 0.002964 0.42357 15.1724
382 1MO9 FAD 0.008992 0.43376 15.3846
383 1MO9 KPC 0.01185 0.42862 15.3846
384 2F5Z FAD 0.00853 0.41372 15.625
385 1LSS NAD 0.00041 0.43549 16.4286
386 2ZFU SAH 0.00002627 0.48295 19.0698
387 5MW4 5JU 0.0005989 0.46105 20.7692
388 3QOX SAH 0.0002615 0.45277 20.7692
389 2GVC FAD 0.006813 0.40765 21.1538
390 1SQF SAM 0.0001225 0.48437 21.9231
391 3LCC SAH 0.000000006387 0.59836 28.9362
Pocket No.: 2; Query (leader) PDB : 3BGD; Ligand: PM6; Similar sites found: 309
This union binding pocket(no: 2) in the query (biounit: 3bgd.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CS9 AMP 0.008658 0.42677 None
2 1G60 SAM 0.0001548 0.4825 0.769231
3 1NJR XYL 0.002345 0.40863 1.53846
4 5U8U FAD 0.0189 0.40274 1.53846
5 1XTP SAI 0.0001206 0.42353 1.5748
6 1G55 SAH 0.00001207 0.53111 1.92308
7 4YUW 4JU 0.006969 0.4371 1.92308
8 4YUW S4M 0.007071 0.43638 1.92308
9 3VYW SAM 0.002983 0.42264 1.92308
10 5KVA SAM 0.000377 0.41991 1.92308
11 4N49 SAM 0.0003091 0.4191 1.92308
12 3QVP FAD 0.003913 0.41737 1.92308
13 2AOT SAH 0.0001936 0.40693 1.92308
14 4UP3 FAD 0.006538 0.40538 1.92308
15 2WPB ZZI 0.03506 0.4046 1.92308
16 3U31 NAD 0.007582 0.40219 1.92308
17 4OBW SAM 0.0005985 0.46098 1.94553
18 5FTW SAH 0.001477 0.43578 1.95312
19 2NXE SAM 0.001836 0.43917 1.9685
20 1Z3C SA8 0.0001738 0.45548 2.01342
21 1TE2 PGA 0.03675 0.40455 2.21239
22 1N2X SAM 0.0001294 0.4726 2.30769
23 3DMH SAM 0.0007734 0.44788 2.30769
24 1UWK NAD 0.00153 0.43603 2.30769
25 4FZV SAM 0.0001035 0.43407 2.30769
26 3DMH GMP 0.0006295 0.43065 2.30769
27 5E9W SAH 0.0001694 0.41041 2.30769
28 3MB5 SAM 0.00008825 0.47947 2.35294
29 2EJU SAH 0.00003503 0.51616 2.6455
30 2EG5 SAH 0.00005145 0.52595 2.69231
31 1QZZ SAM 0.00008357 0.51589 2.69231
32 1XDS SAM 0.0001052 0.51112 2.69231
33 5DM1 5D7 0.0001515 0.47047 2.69231
34 5DM1 SAH 0.0001792 0.46628 2.69231
35 3T7S SAM 0.000007872 0.46171 2.69231
36 5DNK SAH 0.000004069 0.43356 2.69231
37 1KYQ NAD 0.004212 0.42665 2.69231
38 4KRG SAH 0.00005364 0.42244 2.69231
39 4D7E FAD 0.003778 0.41078 2.69231
40 1ELI PYC 0.004689 0.40919 2.69231
41 4FWE FAD 0.0084 0.40375 2.69231
42 1ZGA SAH 0.0001832 0.40291 2.69231
43 1GET NAP 0.02116 0.40235 2.69231
44 1GET FAD 0.02007 0.40219 2.69231
45 1PN0 IPH 0.01243 0.40091 2.69231
46 1PN0 FAD 0.01189 0.40091 2.69231
47 3FZG SAM 0.001305 0.45429 3
48 3A25 SAM 0.00002334 0.52406 3.07692
49 4DMG SAM 0.0001962 0.50394 3.07692
50 3PT9 SAH 0.00001198 0.45261 3.07692
51 3RKR NAP 0.004701 0.44098 3.07692
52 4C4A SAH 0.0001448 0.42209 3.07692
53 3EF0 ALF 0.02313 0.41383 3.07692
54 4YAG NAI 0.006427 0.4076 3.07692
55 1RSG FAD 0.007946 0.40383 3.07692
56 1YY5 FAD 0.008823 0.40376 3.07692
57 3P2E SAH 0.0003431 0.46306 3.11111
58 1L3I SAH 0.0003098 0.43845 3.125
59 2PXX SAH 0.000008053 0.53882 3.25581
60 3EVG SAH 0.0001389 0.41772 3.27273
61 1Z34 2FD 0.02462 0.40115 3.40426
62 1KPG SAH 0.00001536 0.5159 3.46154
63 1ZQ9 SAM 0.0007308 0.45709 3.46154
64 5ULP KB1 0.0001273 0.44426 3.46154
65 4II2 ATP 0.001023 0.44265 3.46154
66 4LWP SAH 0.00003327 0.43848 3.46154
67 3GU3 SAH 0.000005417 0.43185 3.46154
68 2A14 SAH 0.0005842 0.41295 3.46154
69 4FC7 NAP 0.007534 0.40478 3.46154
70 4FC7 COA 0.007534 0.40478 3.46154
71 1I8T FAD 0.006987 0.40322 3.46154
72 4XQC 13D 0.009526 0.40239 3.46154
73 3UCL NAP 0.02238 0.40128 3.46154
74 4XQC NAD 0.01023 0.40023 3.46154
75 3UCL CYH 0.02185 0.4 3.46154
76 3UCL FAD 0.02185 0.4 3.46154
77 1I1N SAH 0.0008862 0.42492 3.53982
78 3G89 SAM 0.000001759 0.59596 3.61446
79 1IM8 SAI 0.00005243 0.49816 3.84615
80 3NDJ JHZ 0.0008149 0.44829 3.84615
81 3NDJ SAH 0.0008149 0.44829 3.84615
82 3LCV SAM 0.0001624 0.43881 3.84615
83 1NV8 SAM 0.0005189 0.43546 3.84615
84 1NV8 MEQ 0.0004956 0.43465 3.84615
85 3TKY SAH 0.00008583 0.43343 3.84615
86 3S1S SAH 0.001349 0.43044 3.84615
87 2A8Y MTA 0.009765 0.40344 3.84615
88 1R18 SAH 0.000248 0.46492 3.96476
89 3A4T SFG 0.00004439 0.49645 4.23077
90 1TPY SAH 0.0000163 0.47034 4.23077
91 1U2Z SAH 0.00006121 0.45035 4.23077
92 4IWN GEK 0.0004535 0.42023 4.23077
93 3X0D SAH 0.0002448 0.41502 4.23077
94 1Q9I TEO 0.007947 0.41434 4.23077
95 3BXO SAM 0.00004858 0.41919 4.60251
96 2HNK SAH 0.0005292 0.4077 4.60251
97 5X62 SAH 0.000008769 0.54928 4.61538
98 5BW4 SAM 0.00002635 0.44166 4.61538
99 2RAB NAD 0.007121 0.42171 4.61538
100 2RAB FAD 0.003234 0.42171 4.61538
101 1DL5 SAH 0.001434 0.41324 4.61538
102 5TTJ FAD 0.004852 0.40963 4.61538
103 1P31 EPU 0.009141 0.40788 4.61538
104 1N4W FAD 0.007224 0.40644 4.61538
105 4TXI FAD 0.004482 0.4031 4.61538
106 3WDM ADN 0.001357 0.40049 4.61538
107 5LOG SAH 0.000337 0.41303 4.72103
108 4QAR ADE 0.00503 0.43086 4.97512
109 4KRI SAH 0.00001509 0.46384 5
110 3FUU ADN 0.0004208 0.46344 5
111 1LVL NAD 0.0003717 0.46157 5
112 2O07 MTA 0.0003903 0.43865 5
113 4GQB 0XU 0.0001788 0.43828 5
114 4BLW AMP 0.0009042 0.43309 5
115 1WG8 SAM 0.0003575 0.428 5
116 2O07 SPD 0.0004071 0.4278 5
117 2EFJ SAH 0.00006224 0.42491 5
118 1O97 FAD 0.005371 0.42082 5
119 1KYZ FER 0.001132 0.42082 5
120 1O97 AMP 0.005371 0.42082 5
121 1I9G SAM 0.0002804 0.41959 5
122 5BVA FAD 0.004034 0.41776 5
123 1NW5 SAM 0.0002384 0.41671 5
124 1JQD HSM 0.001736 0.41656 5
125 1JQD SAH 0.0008564 0.41619 5
126 1ZMD NAI 0.002305 0.41463 5
127 5FA5 MTA 0.00009829 0.41426 5
128 3L9W AMP 0.002582 0.41121 5
129 4BLW SAH 0.00166 0.41119 5
130 1QO8 FAD 0.007162 0.40568 5
131 1KYZ SAH 0.00051 0.40426 5
132 3LGS SAH 0.0222 0.40337 5
133 1M2Z BOG 0.03256 0.40315 5.05837
134 3CBG SAH 0.00111 0.45316 5.17241
135 3GEG NAD 0.003072 0.4041 5.26316
136 2VDV SAM 0.000007606 0.5656 5.28455
137 5DXA SFG 0.00004015 0.49363 5.38462
138 5DWQ SFG 0.00002544 0.46956 5.38462
139 5KOK S9T 0.0001177 0.46817 5.38462
140 5DX0 SFG 0.00004759 0.46486 5.38462
141 5DX8 SFG 0.00004496 0.45564 5.38462
142 5DX1 SFG 0.00008229 0.45554 5.38462
143 5T67 JHZ 0.0006894 0.4503 5.38462
144 4PIO SAH 0.0004001 0.44712 5.38462
145 4PIO AVI 0.0004115 0.44527 5.38462
146 5E72 SAM 0.0001133 0.43674 5.38462
147 5T67 SAH 0.001191 0.4354 5.38462
148 5KOK SAH 0.00008947 0.43347 5.38462
149 5KOK R9T 0.001002 0.43002 5.38462
150 5J60 FAD 0.004854 0.41064 5.38462
151 3TKA SAM 0.0006486 0.40612 5.38462
152 5KMS FAD 0.005107 0.40554 5.38462
153 4R6W SAH 0.0001493 0.43433 5.42636
154 3HVJ 705 0.0005968 0.44405 5.42986
155 1P1C SAH 0.0009812 0.40878 5.52764
156 3OFK SAH 0.002349 0.42371 5.55556
157 5N53 8NB 0.03134 0.40783 5.64103
158 5IL1 SAM 0.0005488 0.46266 5.66038
159 5GM1 SAH 0.0000431 0.49236 5.72391
160 1VE3 SAM 0.00008894 0.49805 5.72687
161 1QAN SAH 0.0004856 0.45261 5.7377
162 2ZWA SAH 0.0007605 0.44439 5.7554
163 4M38 SAH 0.0002171 0.47161 5.76923
164 1KPH SAH 0.00001593 0.47032 5.76923
165 3I53 SAH 0.00008553 0.43986 5.76923
166 3UOY FAD 0.003794 0.43417 5.76923
167 3UOY NAP 0.003794 0.43417 5.76923
168 4POO SAM 0.0002936 0.43128 5.76923
169 4M37 SAH 0.0003774 0.40868 5.76923
170 4YRY FAD 0.007611 0.4046 5.76923
171 3GDH SAH 0.00002232 0.49952 5.80913
172 1JG3 ADN 0.00009696 0.49637 5.95745
173 2PT9 2MH 0.0004988 0.44333 6.15385
174 2YX1 SFG 0.00001814 0.42351 6.15385
175 4D04 FAD 0.005856 0.42343 6.15385
176 4D04 NAP 0.005856 0.42343 6.15385
177 1GPE FAD 0.003311 0.42221 6.15385
178 2PT9 S4M 0.00123 0.41164 6.15385
179 2I7C AAT 0.0006658 0.40616 6.15385
180 5MGZ SAH 0.00003835 0.44497 6.35593
181 5JE0 AZ8 0.000183 0.45617 6.47773
182 5JE0 SAH 0.000183 0.45617 6.47773
183 5M58 SAH 0.0002381 0.41736 6.52174
184 3OU2 SAH 0.0002254 0.45495 6.53846
185 5BUK FAD 0.002801 0.42428 6.53846
186 1JQ3 AAT 0.0003532 0.41674 6.53846
187 1RJD SAM 0.0005636 0.41125 6.53846
188 4MO2 FDA 0.005572 0.40511 6.53846
189 4IF4 BEF 0.02764 0.40081 6.73077
190 3EGI ADP 0.000002908 0.61974 6.79612
191 5FA8 SAM 0.00005781 0.45189 6.8323
192 3H2B SAH 0.0001707 0.42341 6.89655
193 2OBF SAH 0.002809 0.4223 6.92042
194 2OBF F83 0.002809 0.4223 6.92042
195 1F3L SAH 0.00001738 0.51363 6.92308
196 1L1E SAH 0.00004616 0.50053 6.92308
197 2P41 SAH 0.0002071 0.48161 6.92308
198 4RSL FAD 0.003139 0.414 6.92308
199 2WPF FAD 0.02351 0.41058 6.92308
200 1FEC FAD 0.006808 0.41015 6.92308
201 2WPF WPF 0.02852 0.40801 6.92308
202 4OPC FDA 0.03293 0.40474 6.92308
203 4YMH SAH 0.0009419 0.44419 7.08333
204 4A6D SAM 0.00007014 0.49758 7.30769
205 3LST SAH 0.0007717 0.46978 7.30769
206 2ZIF SAM 0.00004163 0.43825 7.30769
207 4RPL 3UC 0.008617 0.41874 7.30769
208 4RPL FAD 0.009582 0.41488 7.30769
209 5FJN BE2 0.005526 0.41303 7.30769
210 5FJN FAD 0.008361 0.40292 7.30769
211 2PWY SAH 0.0001563 0.43626 7.36434
212 1FL2 FAD 0.007396 0.40222 7.41935
213 3EGV SAH 0.00091 0.45711 7.48299
214 3FRH SAH 0.0001669 0.4375 7.50988
215 4QTU SAM 0.00004014 0.50821 7.69231
216 3VSE SAH 0.000006534 0.43319 7.69231
217 1Q0S SAH 0.0001853 0.43725 7.72201
218 1WY7 SAH 0.0004129 0.41484 7.72947
219 1UAY ADN 0.0007985 0.46907 7.85124
220 5E1M PRO PRO LYS ARG ILE ALA 0.0003013 0.452 7.88382
221 5E1M SAH 0.0003013 0.452 7.88382
222 2JJQ SAH 0.00009491 0.51325 8.07692
223 3VC1 SAH 0.00007245 0.48468 8.07692
224 3TLJ SAH 0.00008257 0.48067 8.07692
225 4Y2H 49K 0.00009784 0.47813 8.07692
226 4Y2H SAH 0.0001185 0.47477 8.07692
227 4PNE SAH 0.00003274 0.4633 8.07692
228 5XVQ SAH 0.0006935 0.4424 8.07692
229 4EUE NAI 0.001118 0.42681 8.07692
230 5F8F SFG 0.00005377 0.42597 8.07692
231 5XVK SAH 0.0005486 0.42134 8.07692
232 3VC1 GST 0.00007245 0.41264 8.07692
233 4E70 N7I 0.001153 0.41125 8.07692
234 4C3Y FAD 0.005277 0.41015 8.07692
235 4C3Y ANB 0.007305 0.40888 8.07692
236 1JNR FAD 0.0198 0.40635 8.07692
237 3GRU AMP 0.001234 0.40504 8.07692
238 5GWX SAM 0.003426 0.40497 8.07692
239 5GWX SAR 0.003426 0.40497 8.07692
240 3LKZ SFG 0.0005753 0.40417 8.07692
241 4AT0 FAD 0.01044 0.40326 8.07692
242 3O7W SAM 0.0002028 0.40292 8.07692
243 3Q87 SAM 0.006557 0.40196 8.23529
244 4XUC SAM 0.0009245 0.43271 8.25688
245 4XUC 43G 0.0009245 0.43271 8.25688
246 4NEC SAH 0.00000322 0.57611 8.46154
247 2FK8 SAM 0.00009052 0.48795 8.46154
248 3P9C SAH 0.0009886 0.40516 8.46154
249 4X7Y SAH 0.007925 0.40294 8.46154
250 1VHW ADN 0.0216 0.40766 8.69565
251 3G2O SAM 0.0001059 0.49466 8.84615
252 4M73 SAH 0.0005235 0.44509 8.84615
253 2DPM SAM 0.0001524 0.43231 8.84615
254 3C6K SPD 0.001581 0.42591 8.84615
255 3C6K MTA 0.001581 0.42591 8.84615
256 4RDH AMP 0.005322 0.42574 8.84615
257 2Q1S NAI 0.006905 0.40725 8.84615
258 4KIB SAH 0.0002271 0.40584 8.84615
259 4M73 M72 0.0002538 0.40424 8.84615
260 3MQ2 SAH 0.0007191 0.46179 9.17431
261 1Y8Q ATP 0.0003101 0.45308 9.23077
262 1BZL FAD 0.01998 0.41421 9.23077
263 3BBH SFG 0.01065 0.40818 9.26829
264 4TM3 FAD 0.02262 0.40108 9.61539
265 4ONQ SFG 0.00003787 0.51465 10
266 3I6B KDO 0.02856 0.40936 10
267 2IZ1 ATR 0.02979 0.40892 10
268 2YVJ NAI 0.00924 0.40767 10.0917
269 3JWH SAH 0.00006452 0.40552 10.1382
270 2UYQ SAM 0.0001252 0.53614 10.3846
271 3SSO SAH 0.004296 0.41581 10.3846
272 5DLY 5D7 0.0003246 0.4571 10.5263
273 5DLY SAH 0.0002945 0.45634 10.5263
274 2XVE FAD 0.005693 0.42261 10.7692
275 2XVF FAD 0.004831 0.4076 10.7692
276 2BRY FAD 0.003903 0.4067 10.7692
277 2Q28 ADP 0.008377 0.40637 11.1538
278 1J78 OLA 0.01738 0.40346 11.1538
279 5E8J SAH 0.0003653 0.48529 11.3636
280 1D4D FAD 0.005855 0.41019 11.5385
281 1YXM ADE 0.01568 0.41327 11.9231
282 1H82 GZZ 0.01364 0.407 11.9231
283 1H82 FAD 0.01138 0.407 11.9231
284 4AZT SAM 0.0004864 0.46501 12.3077
285 5JAQ NAI 0.002289 0.42283 12.3077
286 1FP1 SAH 0.00006364 0.42127 12.3077
287 3AD8 NAD 0.002417 0.41616 13.3005
288 3AD8 PYC 0.02065 0.40166 13.3005
289 3AD8 FAD 0.02065 0.40166 13.3005
290 2GAG NAD 0.003434 0.41356 13.3333
291 5HJM MTA 0.00001116 0.5326 13.4615
292 3GXO SAH 0.001261 0.45499 13.4615
293 3GWZ SAH 0.0003798 0.40207 13.4615
294 3DXY SAM 0.00001008 0.56694 13.7615
295 1EJ0 SAM 0.0004284 0.40642 14.4444
296 5JJR SAH 0.0006555 0.4592 14.6154
297 5CUQ NSC 0.001501 0.42178 14.6154
298 3A27 SAM 0.00006206 0.50505 14.7059
299 3GCZ SAM 0.0002269 0.41095 15
300 2XYQ SAH 0.004004 0.42398 15.1724
301 1MO9 FAD 0.01157 0.41873 15.3846
302 1MO9 KPC 0.01653 0.41238 15.3846
303 1LSS NAD 0.0004441 0.41122 16.4286
304 2ZFU SAH 0.00004037 0.44987 19.0698
305 5MW4 5JU 0.0009944 0.43857 20.7692
306 3QOX SAH 0.0005353 0.41676 20.7692
307 2GVC FAD 0.005226 0.40169 21.1538
308 1SQF SAM 0.0001884 0.48345 21.9231
309 3LCC SAH 0.00000005333 0.5282 28.9362
Pocket No.: 3; Query (leader) PDB : 3BGD; Ligand: PM6; 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: 3bgd.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BGD; Ligand: PM6; Similar sites found: 21
This union binding pocket(no: 4) in the query (biounit: 3bgd.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.03989 0.40206 None
2 5F2K OCA 0.004962 0.40661 2.30769
3 5F2K SAH 0.004962 0.40661 2.30769
4 3GDN HBX 0.01774 0.40117 2.30769
5 5JGL SAM 0.0006982 0.40197 2.69231
6 4USR FAD 0.007085 0.4015 2.69231
7 3NTD FAD 0.01014 0.40049 4.23077
8 3IHB GLU 0.03868 0.40038 4.23077
9 2PX8 SAH 0.001103 0.40283 5.38462
10 4YRY NAD 0.01816 0.40145 5.76923
11 1X87 NAD 0.002427 0.40355 6.92308
12 4YNU LGC 0.01414 0.40319 7.69231
13 4BV6 FAD 0.01138 0.40128 8.07692
14 1RP0 AHZ 0.006821 0.40098 9.61539
15 5MPT SAH 0.0007238 0.40451 10.3846
16 4AZW SAM 0.0009004 0.40531 12.3077
17 3LAD FAD 0.009903 0.40475 12.3077
18 4I9B 1KA 0.01939 0.4014 12.3077
19 2F5Z FAD 0.01344 0.40001 15.625
20 2PZM NAD 0.01165 0.40265 17.6923
21 2PZM UDP 0.01165 0.40265 17.6923
Pocket No.: 5; Query (leader) PDB : 3BGD; Ligand: PM6; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3bgd.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3BGD; Ligand: SAH; Similar sites found: 43
This union binding pocket(no: 6) in the query (biounit: 3bgd.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.02992 0.40206 None
2 3ICS FAD 0.01078 0.41309 2.30769
3 1PR9 NAP 0.01078 0.40775 2.86885
4 3D3W NAP 0.01192 0.40578 2.86885
5 4HIA FMN 0.01497 0.40242 3.40909
6 1B8O IMH 0.005204 0.41255 3.46154
7 1ME8 RVP 0.01098 0.41068 3.84615
8 5EB4 FAD 0.0159 0.40726 3.84615
9 4UCI SAM 0.004151 0.40835 4.23077
10 2FDW D3G 0.01773 0.40562 4.23077
11 2WSB NAD 0.01338 0.41072 4.61538
12 4L2I NAD 0.01898 0.4072 4.61538
13 1PS9 FAD 0.02383 0.40001 4.61538
14 1FP2 SAH 0.007097 0.41821 5
15 2DTX BMA 0.01415 0.40866 5
16 1G8K MGD 0.0484 0.40152 5.26316
17 3PFG SAM 0.04863 0.40905 5.38462
18 4YRY NAD 0.01814 0.41429 5.76923
19 2V3A FAD 0.01152 0.41179 5.76923
20 1S7G NAD 0.008332 0.41038 5.76923
21 1S7G APR 0.01237 0.40506 5.76923
22 2V6G NAP 0.01342 0.40113 6.53846
23 3CH6 NAP 0.03243 0.40669 6.92308
24 3CH6 311 0.03243 0.40669 6.92308
25 2NVK FAD 0.01552 0.40867 7.30769
26 1FL2 FAD 0.003751 0.43512 7.41935
27 4J36 FAD 0.009623 0.40997 8.07692
28 4J36 1HR 0.02079 0.40451 8.07692
29 2HMT NAI 0.00487 0.40898 8.33333
30 4TQG NDP 0.008999 0.40634 9.23077
31 1YC5 NCA 0.007058 0.40965 9.34959
32 4BUZ OCZ 0.01224 0.40292 9.34959
33 4BUZ NAD 0.01003 0.40292 9.34959
34 4BUZ OAD 0.01256 0.40242 9.34959
35 3I6B KDO 0.017 0.41089 10
36 1DMR PGD 0.04571 0.40221 10.7692
37 3C3Y SAH 0.003294 0.41261 10.9705
38 3AD8 FAD 0.04804 0.40059 13.3005
39 3AD8 PYC 0.04804 0.40059 13.3005
40 5H6S HDH 0.01787 0.40977 14.2308
41 2PZM NAD 0.02284 0.4026 17.6923
42 2PZM UDP 0.02284 0.4026 17.6923
43 1XSE NDP 0.01684 0.40611 18.6441
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