Receptor
PDB id Resolution Class Description Source Keywords
3GU3 2.3 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF THE METHYLTRANSFERASE BC_2162 IN COMPLE ADENOSYL-L-HOMOCYSTEINE FROM BACILLUS CEREUS, NORTHEAST STRG ENOMICS CONSORTIUM TARGET BCR20 BACILLUS CEREUS ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGMETHYLTRANSFERASE TRANSFERASE
Ref.: NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET BCR TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:302;
B:302;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SAH A:401;
B:401;
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
3GU3 2.3 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF THE METHYLTRANSFERASE BC_2162 IN COMPLE ADENOSYL-L-HOMOCYSTEINE FROM BACILLUS CEREUS, NORTHEAST STRG ENOMICS CONSORTIUM TARGET BCR20 BACILLUS CEREUS ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGMETHYLTRANSFERASE TRANSFERASE
Ref.: NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET BCR TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 57 families.
1 3GU3 - 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 3GU3 - 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 3GU3 - 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 : 3GU3; Ligand: SAH; Similar sites found: 422
This union binding pocket(no: 1) in the query (biounit: 3gu3.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NTD FAD 0.0004127 0.50787 1.05634
2 4CM9 NAP 0.01668 0.41586 1.05634
3 4CME NAP 0.01743 0.41365 1.05634
4 5K6A NAP 0.02585 0.40616 1.05634
5 3JQ9 NAP 0.02804 0.40437 1.05634
6 5JDC NAP 0.02898 0.40243 1.05634
7 1MXH NAP 0.03863 0.40544 1.08696
8 2WD7 NAP 0.02858 0.40274 1.1194
9 1XHL NDP 0.0001126 0.52864 1.40845
10 4HXY NDP 0.003994 0.44862 1.40845
11 1YY5 FAD 0.01635 0.43046 1.40845
12 1RSG FAD 0.0158 0.42951 1.40845
13 5LAU AR6 0.004678 0.4366 1.44231
14 1ZGA SAH 0.000002818 0.5738 1.76056
15 1ORR NAD 0.0007244 0.48894 1.76056
16 1V5F FAD 0.003026 0.48264 1.76056
17 2EJU SAH 0.00002309 0.46482 1.76056
18 1N4W FAD 0.005089 0.4563 1.76056
19 3UCL CYH 0.01669 0.44273 1.76056
20 3UCL NAP 0.01796 0.44273 1.76056
21 3UCL FAD 0.01669 0.44273 1.76056
22 2AE2 NAP 0.008627 0.44145 1.76056
23 2AE2 PTO 0.008627 0.44145 1.76056
24 5XLX SAH 0.002452 0.44136 1.76056
25 4EIP FAD 0.01768 0.43029 1.76056
26 4EIP K2C 0.01768 0.43029 1.76056
27 3QVP FAD 0.02029 0.42463 1.76056
28 1RYI FAD 0.01888 0.42454 1.76056
29 5HSA FAS 0.01898 0.42442 1.76056
30 4RSL FAD 0.02021 0.41824 1.76056
31 5L4S NAP 0.03771 0.40506 1.76056
32 5L4S 6KX 0.03771 0.40506 1.76056
33 3F4F UMP 0.01341 0.40185 1.79641
34 2BGM NAJ 0.004949 0.43842 1.79856
35 2ZE3 AKG 0.01608 0.40288 1.81818
36 1BC5 SAH 0.000943 0.46923 1.85874
37 4YUW S4M 0.001711 0.51334 2.11268
38 4YUW 4JU 0.001744 0.51334 2.11268
39 4DMG SAM 0.00002035 0.51182 2.11268
40 4N49 SAM 0.0002852 0.49077 2.11268
41 3S5W FAD 0.002194 0.4618 2.11268
42 2PZM UDP 0.00444 0.45942 2.11268
43 2PZM NAD 0.00444 0.45942 2.11268
44 4YAG NAI 0.006015 0.45156 2.11268
45 1I8T FAD 0.005526 0.45055 2.11268
46 2YY7 NAD 0.003728 0.45013 2.11268
47 4OPC FDA 0.02189 0.44912 2.11268
48 2JL1 NAP 0.004189 0.43566 2.11268
49 2AG8 NAP 0.0171 0.40401 2.11268
50 1VJT NAD 0.01809 0.40113 2.11268
51 1JG3 ADN 0.000001451 0.51123 2.12766
52 5LW0 AR6 0.02235 0.40285 2.1645
53 4FC7 NAP 0.00971 0.44064 2.16606
54 4FC7 COA 0.00971 0.44064 2.16606
55 2UYQ SAM 0.00001615 0.55119 2.25806
56 2A14 SAH 0.00008522 0.5185 2.28137
57 5ITV NAI 0.003284 0.45293 2.35294
58 2WSB NAD 0.00283 0.4667 2.3622
59 2ZIF SAM 0.000002751 0.58628 2.46479
60 1XKQ NDP 0.0001044 0.53181 2.46479
61 4A6D SAM 0.0000003745 0.52163 2.46479
62 3CH6 311 0.001541 0.49716 2.46479
63 3CH6 NAP 0.001541 0.49716 2.46479
64 1V59 FAD 0.001455 0.48681 2.46479
65 5JJR SAH 0.00003974 0.46107 2.46479
66 1ELI PYC 0.0109 0.43419 2.46479
67 3RIY NAD 0.007477 0.43353 2.46479
68 4FWE FAD 0.01674 0.42906 2.46479
69 5DY5 5GR 0.0341 0.42325 2.46479
70 4YNU FAD 0.03102 0.41567 2.46479
71 4YNU LGC 0.03539 0.41567 2.46479
72 5M67 NAD 0.04322 0.41097 2.46479
73 1V59 NAD 0.007365 0.40985 2.46479
74 5M67 3D1 0.04532 0.40985 2.46479
75 5M67 ADE 0.04912 0.40795 2.46479
76 1UP7 NAD 0.02337 0.40328 2.46479
77 1G0N NDP 0.007504 0.44262 2.4735
78 1G0N PHH 0.01064 0.43764 2.4735
79 2WA2 SAM 0.000003915 0.57325 2.53623
80 5ULP KB1 0.000001824 0.60507 2.61194
81 5CUQ NSC 0.000001982 0.61771 2.62172
82 5GT9 NAP 0.008134 0.43294 2.6616
83 4OSP NAP 0.03079 0.40109 2.6616
84 3OID NDP 0.01656 0.41952 2.71318
85 3TN7 NJP 0.002457 0.45931 2.72374
86 2ZFU SAH 0.00000416 0.58019 2.7907
87 5DWQ SFG 0.000007052 0.57605 2.8169
88 5DX1 SFG 0.00001122 0.56821 2.8169
89 5DX8 SFG 0.00001082 0.56467 2.8169
90 5DX0 SFG 0.00001698 0.55929 2.8169
91 3PT9 SAH 0.00002393 0.53824 2.8169
92 1TPY SAH 0.000041 0.53405 2.8169
93 1KPH SAH 0.00005828 0.52657 2.8169
94 1I9G SAM 0.0000956 0.51389 2.8169
95 4LWP SAH 0.00008307 0.5122 2.8169
96 1Q0S SAH 0.000181 0.50642 2.8169
97 4RPL 3UC 0.001482 0.5016 2.8169
98 5U8U FAD 0.002658 0.48638 2.8169
99 4RPL FAD 0.002886 0.48376 2.8169
100 3A27 SAM 0.00001159 0.48128 2.8169
101 2CDU FAD 0.001323 0.47935 2.8169
102 5BVA FAD 0.003099 0.46857 2.8169
103 1G55 SAH 0.00001504 0.4668 2.8169
104 5DXA SFG 0.000007131 0.45674 2.8169
105 1L1E SAH 0.00003091 0.45179 2.8169
106 5J60 FAD 0.006144 0.44915 2.8169
107 2JHP SAH 0.0001974 0.44589 2.8169
108 1KPG SAH 0.00005802 0.43756 2.8169
109 2GVC FAD 0.0138 0.42358 2.8169
110 3RKR NAP 0.003331 0.42353 2.8169
111 4E70 N7I 0.000004731 0.42233 2.8169
112 3IHG FAD 0.01253 0.4209 2.8169
113 1H82 FAD 0.04143 0.41608 2.8169
114 1H82 GZZ 0.04712 0.41608 2.8169
115 4I5I NAD 0.01799 0.41167 2.8169
116 5IL1 SAM 0.000395 0.41897 2.83019
117 1YC5 NCA 0.002437 0.45528 2.84553
118 4BUZ NAD 0.00264 0.45354 2.84553
119 4BUZ OAD 0.003286 0.45291 2.84553
120 4BUZ OCZ 0.003286 0.45291 2.84553
121 3LCV SAM 0.000006331 0.57611 2.84698
122 4O1M NAD 0.01659 0.41598 2.85714
123 5K7U SAM 0.0004684 0.47601 2.86533
124 1QAN SAH 0.00001085 0.45713 2.86885
125 3H2B SAH 0.00001781 0.54698 2.95567
126 2DTX BMA 0.002679 0.46689 3.0303
127 2ZAT NAP 0.01306 0.42125 3.07692
128 2PWY SAH 0.0000159 0.55644 3.10078
129 4PIO SAH 0.000003341 0.60968 3.16901
130 4PIO AVI 0.000003092 0.60968 3.16901
131 1L3I SAH 0.000003003 0.59878 3.16901
132 1XDS SAM 0.0000001936 0.58744 3.16901
133 4GQB 0XU 0.0000185 0.55536 3.16901
134 3TKA SAM 0.00005801 0.52445 3.16901
135 2P41 SAH 0.0000144 0.47528 3.16901
136 4D7E FAD 0.00412 0.45395 3.16901
137 3H8V ATP 0.001677 0.44931 3.16901
138 4J1Q NDP 0.008098 0.42913 3.16901
139 1KNR FAD 0.01503 0.42883 3.16901
140 1RP0 AHZ 0.01433 0.42161 3.16901
141 3O03 NAP 0.01234 0.41858 3.16901
142 3P9C SAH 0.000007607 0.40967 3.16901
143 3H4V DVP 0.04001 0.40812 3.16901
144 4USQ FAD 0.0319 0.4059 3.16901
145 3Q9T FAY 0.04038 0.40443 3.16901
146 3GMB FAD 0.03773 0.40211 3.16901
147 3L4S 3PG 0.03748 0.40121 3.16901
148 3L4S NAD 0.03574 0.40121 3.16901
149 3GCZ SAM 0.000007316 0.56303 3.19149
150 3EVG SAH 0.000005419 0.56931 3.27273
151 4X7Y SAH 0.002434 0.47114 3.28467
152 3BGD SAH 0.00000362 0.46473 3.46154
153 3BGD PM6 0.000005417 0.43185 3.46154
154 1QZZ SAM 0.0000009416 0.56009 3.52113
155 1FP2 SAH 0.00007758 0.54132 3.52113
156 5F2K OCA 0.0001525 0.52194 3.52113
157 5F2K SAH 0.0001525 0.52194 3.52113
158 5JAQ NAI 0.0002681 0.51879 3.52113
159 1ZEM NAD 0.001565 0.46338 3.52113
160 4MO2 FDA 0.003285 0.46014 3.52113
161 4GLL NAD 0.007879 0.43487 3.52113
162 2V6G NAP 0.007495 0.43475 3.52113
163 3VYW SAM 0.0001215 0.43229 3.52113
164 5KMS NAD 0.04275 0.4166 3.52113
165 4J36 FAD 0.0201 0.4152 3.52113
166 1VL0 NAI 0.01368 0.41493 3.52113
167 4J36 1HR 0.03357 0.41302 3.52113
168 1E1M FAD 0.0482 0.41116 3.52113
169 5KMS FAD 0.02815 0.41075 3.52113
170 5N5D SAM 0.00003263 0.53425 3.53982
171 1FX8 BOG 0.008861 0.41074 3.55872
172 5XDT MB3 0.03442 0.40314 3.57143
173 2AG5 NAD 0.01249 0.42223 3.65854
174 1PR9 NAP 0.0008719 0.48484 3.68852
175 3D3W NAP 0.001337 0.47538 3.68852
176 3U2U UDP 0.03472 0.40186 3.80228
177 3VSE SAH 0.000106 0.49642 3.87324
178 3EYA FAD 0.001257 0.47927 3.87324
179 2WPF FAD 0.006446 0.47838 3.87324
180 4POO SAM 0.0008255 0.47386 3.87324
181 3SQP FAD 0.01666 0.47223 3.87324
182 3LKZ SFG 0.00002943 0.45745 3.87324
183 1BXK NAD 0.00337 0.44965 3.87324
184 4MIG G3F 0.008232 0.44959 3.87324
185 1EK6 NAI 0.01084 0.44629 3.87324
186 5I39 FAD 0.01337 0.42958 3.87324
187 1D4D FAD 0.01679 0.42899 3.87324
188 1EK6 UPG 0.02447 0.42856 3.87324
189 3CTY FAD 0.01963 0.42624 3.87324
190 5BUK FAD 0.02047 0.42527 3.87324
191 1FL2 FAD 0.02395 0.41729 3.87324
192 5UAO FAD 0.03283 0.41098 3.87324
193 4YRY FAD 0.04579 0.40499 3.87324
194 2BZG SAH 0.000008027 0.56109 3.87931
195 1R18 SAH 0.0000002181 0.50691 3.96476
196 3SJ7 NDP 0.01135 0.42308 3.96825
197 3FZG SAM 0.00005592 0.47377 4
198 1P1C SAH 0.0009316 0.46949 4.0201
199 3NUG NAD 0.01064 0.427 4.04858
200 2PX8 SAH 0.00003921 0.52791 4.08922
201 2GDZ NAD 0.006027 0.43827 4.11985
202 2PXX SAH 0.000001159 0.50988 4.18605
203 1I1N SAH 0.0000007971 0.62969 4.22535
204 2DPM SAM 0.00005838 0.52654 4.22535
205 1NW5 SAM 0.00006839 0.51867 4.22535
206 3A25 SAM 0.00004039 0.462 4.22535
207 5EZ7 FAD 0.00883 0.43995 4.22535
208 1QO8 FAD 0.01255 0.43478 4.22535
209 4BV6 FAD 0.01563 0.42885 4.22535
210 3MJE NDP 0.01198 0.42315 4.22535
211 3O26 NDP 0.02333 0.40845 4.22535
212 4A0M NAD 0.03523 0.40261 4.22535
213 3LST SAH 0.000004041 0.53491 4.31034
214 3P2E SAH 0.000007581 0.47259 4.44444
215 2YX1 SFG 0.00001341 0.54177 4.57746
216 4EUE NAI 0.0005862 0.49225 4.57746
217 1GPE FAD 0.01785 0.42925 4.57746
218 2IV2 MGD 0.01261 0.42887 4.57746
219 3CGD FAD 0.03848 0.42846 4.57746
220 3CGD NAD 0.03848 0.42846 4.57746
221 3CGD COA 0.03848 0.42846 4.57746
222 3ZG6 APR 0.01287 0.41008 4.57746
223 5JCA FAD 0.04939 0.40323 4.57746
224 3DXY SAM 0.00000205 0.55759 4.58716
225 5A3B APR 0.006706 0.43183 4.62046
226 3U4C NDP 0.00008707 0.52944 4.62633
227 2F5Z FAD 0.003102 0.4676 4.6875
228 1E6E FAD 0.029 0.41007 4.6875
229 2HMT NAI 0.000111 0.51289 4.86111
230 4KRG SAH 0.0000000952 0.65055 4.92958
231 3QOX SAH 0.00001053 0.56524 4.92958
232 2C31 ADP 0.002578 0.49036 4.92958
233 2C31 TZD 0.002646 0.49036 4.92958
234 2RAB FAD 0.002503 0.47345 4.92958
235 1XSE NDP 0.003377 0.4627 4.92958
236 3QV1 NAD 0.004725 0.43793 4.92958
237 1S7G NAD 0.006766 0.437 4.92958
238 1S7G APR 0.009558 0.43176 4.92958
239 2YVF FAD 0.02585 0.42985 4.92958
240 2YVF NAD 0.02653 0.42985 4.92958
241 2DKH FAD 0.01596 0.42035 4.92958
242 2DKH 3HB 0.02094 0.42035 4.92958
243 2IZ1 ATR 0.01502 0.40191 4.92958
244 1G60 SAM 0.000007059 0.47651 5
245 5L95 AMP 0.0009619 0.46305 5
246 4J4H NAI 0.04793 0.40706 5.01931
247 4J4H 1J1 0.04793 0.40706 5.01931
248 2XVM SAH 0.000002451 0.57666 5.02513
249 2GAG NAD 0.003936 0.45608 5.05051
250 4QED NAP 0.01461 0.41879 5.24194
251 5X62 SAH 0.000000009719 0.60497 5.28169
252 5E1M PRO PRO LYS ARG ILE ALA 0.000009704 0.58602 5.28169
253 5E1M SAH 0.000009704 0.58602 5.28169
254 1U2Z SAH 0.00002461 0.54711 5.28169
255 4UCI SAM 0.0003415 0.48484 5.28169
256 3NTD FAD 0.002025 0.47211 5.28169
257 3UOY FAD 0.03298 0.42755 5.28169
258 3UOY NAP 0.03298 0.42755 5.28169
259 1DSS NAD 0.00808 0.42634 5.28169
260 4C3Y FAD 0.01915 0.42422 5.28169
261 4C3Y ANB 0.02957 0.41836 5.28169
262 1REO FAD 0.02416 0.4171 5.28169
263 5TTJ FAD 0.02885 0.41304 5.28169
264 5HJM MTA 0.000006773 0.47531 5.39773
265 3TKY SAH 0.00000049 0.62257 5.6338
266 4BLW AMP 0.0002574 0.51324 5.6338
267 4BLW SAH 0.0001916 0.50884 5.6338
268 5KVA SAM 0.0006329 0.47587 5.6338
269 1MO9 FAD 0.01327 0.45491 5.6338
270 1MO9 KPC 0.02005 0.44538 5.6338
271 1H9A NAP 0.02397 0.41234 5.6338
272 5FJN BE2 0.04077 0.41009 5.6338
273 5FJN FAD 0.03675 0.41009 5.6338
274 2VVM FAD 0.04782 0.4023 5.6338
275 5FA5 MTA 0.0001788 0.49124 5.72207
276 1AE1 NAP 0.00708 0.43843 5.86081
277 1XTP SAI 0.00001768 0.54458 5.90551
278 5JGL SAM 0.0000004466 0.6184 5.98592
279 5JCM ISD 0.02539 0.4327 5.98592
280 5JCM FAD 0.02477 0.4327 5.98592
281 5JCM NAD 0.02539 0.4327 5.98592
282 3S1S SAH 0.0001301 0.41519 5.98592
283 1RO7 CSF 0.01475 0.41329 5.98592
284 2WOX NDP 0.02857 0.40838 5.98592
285 2BJK NAD 0.03781 0.40205 5.98592
286 4R6W SAH 0.000002964 0.4201 6.20155
287 2VDV SAM 0.0000002566 0.58321 6.33803
288 1UWK NAD 0.0001438 0.53979 6.33803
289 1X87 NAD 0.000184 0.50414 6.33803
290 1FEC FAD 0.002961 0.47145 6.33803
291 1I2B NAD 0.005874 0.46133 6.33803
292 4J7U YTZ 0.01313 0.43375 6.33803
293 4J7U NAP 0.01313 0.43375 6.33803
294 2B9W FAD 0.02595 0.42718 6.33803
295 4X9M FAD 0.03419 0.41004 6.33803
296 1Z6Z NAP 0.007845 0.43248 6.38298
297 2PK3 A2R 0.007183 0.42068 6.54206
298 5T67 JHZ 0.00008983 0.55055 6.69014
299 5T67 SAH 0.00006929 0.55055 6.69014
300 3C6K MTA 0.00118 0.48191 6.69014
301 3C6K SPD 0.00118 0.48191 6.69014
302 4Q9N NAI 0.01538 0.41886 6.69014
303 2XVE FAD 0.04823 0.41493 6.69014
304 3OND ADN 0.03735 0.41366 6.69014
305 2XVF FAD 0.02944 0.4107 6.69014
306 5FA8 SAM 0.0000002828 0.6425 6.8323
307 2PT9 2MH 0.0006344 0.49322 6.85358
308 2PT9 S4M 0.0004055 0.4909 6.85358
309 3AD8 NAD 0.0166 0.42058 6.89655
310 1Z3C SA8 0.000000545 0.6422 7.04225
311 5E72 SAM 0.00001024 0.56353 7.04225
312 1YXM ADE 0.002967 0.44591 7.04225
313 1PS9 FAD 0.0136 0.43204 7.04225
314 1JQD SAH 0.00002589 0.40766 7.19178
315 1JA9 NDP 0.008787 0.43245 7.29927
316 3JWH SAH 0.00000001563 0.67633 7.39437
317 1FP1 SAH 0.00000007597 0.65172 7.39437
318 5BW4 SAM 0.000001722 0.59033 7.39437
319 1LSS NAD 0.000008271 0.56565 7.39437
320 2AOT SAH 0.0000135 0.54464 7.39437
321 1O97 AMP 0.00034 0.52861 7.39437
322 1O97 FAD 0.00034 0.52861 7.39437
323 4DCM SAM 0.00004656 0.51905 7.39437
324 1GET NAP 0.008271 0.4613 7.39437
325 1GET FAD 0.007857 0.4613 7.39437
326 1KEW TYD 0.0113 0.44303 7.39437
327 1KEW NAD 0.03297 0.41878 7.39437
328 5FTW SAH 0.0001393 0.43319 7.42188
329 1UAY ADN 0.001037 0.43207 7.43802
330 4ZA2 NAD 0.005942 0.43725 7.50988
331 1NFQ NAI 0.01722 0.41752 7.69231
332 5XVK SAH 0.00003897 0.5373 7.74648
333 2Q28 ADP 0.0001212 0.43172 7.74648
334 3QWI NAP 0.01041 0.42869 7.74648
335 3QWI CUE 0.01575 0.42869 7.74648
336 5G3U FDA 0.03928 0.40506 7.74648
337 4NEC SAH 0.0000003786 0.56024 7.95455
338 3GEG NAD 0.0008095 0.47925 8.09717
339 3T7S SAM 0.0000001342 0.64668 8.09859
340 1SQF SAM 0.00005524 0.45745 8.09859
341 2Q1S NAI 0.0188 0.4264 8.09859
342 3V1U NAD 0.01088 0.4199 8.09859
343 2RGO FAD 0.02761 0.41217 8.09859
344 3NT6 FAD 0.0246 0.41574 8.4507
345 4XQC NAD 0.01268 0.43542 8.80282
346 3CIF G3H 0.01629 0.41989 8.80282
347 3CIF NAD 0.01342 0.41939 8.80282
348 4XQC 13D 0.04871 0.40515 8.80282
349 4TQG NDP 0.0003053 0.50206 9.15493
350 1V6A TRE 0.01393 0.4056 9.15493
351 1ZK4 NAP 0.03605 0.40513 9.16335
352 3ICS FAD 0.003206 0.46177 9.50704
353 3ICT FAD 0.004335 0.45391 9.50704
354 3ICR FAD 0.004458 0.45328 9.50704
355 3MQ2 SAH 0.000008486 0.4983 9.63303
356 4KIB SAH 0.000002437 0.58311 9.85915
357 1KYZ SAH 0.00002002 0.54197 9.85915
358 1KYZ FER 0.00009532 0.52574 9.85915
359 5T2U NAP 0.008905 0.43334 9.85915
360 4REP FAD 0.01698 0.42512 9.85915
361 2HNK SAH 0.0001134 0.51028 10.0418
362 5MW4 5JU 0.00004759 0.55904 10.1796
363 4NTC FAD 0.003764 0.46125 10.2113
364 2AQJ TRP 0.03135 0.424 10.2113
365 2AQJ FAD 0.03219 0.424 10.2113
366 1NM5 NAD 0.007197 0.45507 10.3448
367 1NM5 NAP 0.00696 0.45507 10.3448
368 4NBW NAD 0.007959 0.42951 10.5058
369 1R6D NAD 0.00281 0.47774 10.5634
370 1R6D DAU 0.002714 0.47774 10.5634
371 3L9W AMP 0.000001818 0.61775 10.9155
372 3L9W GSH 0.00001677 0.56537 10.9155
373 3AFN NAP 0.0269 0.40867 11.6279
374 1PNO NAP 0.007434 0.43366 11.6667
375 1EDO NAP 0.002923 0.45679 11.8852
376 1SB8 UD2 0.007044 0.45557 11.9718
377 1SB8 NAD 0.006129 0.45557 11.9718
378 3LXD FAD 0.01543 0.42329 11.9718
379 5LOG SAH 0.0000165 0.54859 12.0172
380 3Q87 SAM 0.0002884 0.40093 12.3529
381 5MPT SAH 0.00001237 0.55204 12.6761
382 3GWZ SAH 0.0000002354 0.62478 13.0282
383 5DNK SAH 0.00001827 0.52894 13.0282
384 3GXO SAH 0.000002995 0.52803 13.0282
385 5GWX SAM 0.00002224 0.42703 13.0282
386 5GWX SAR 0.00002224 0.42703 13.0282
387 2BRY FAD 0.01303 0.42488 13.3803
388 4TXI FAD 0.01351 0.42292 13.3803
389 4KRI SAH 0.0000003019 0.63566 13.7324
390 4YMH SAH 0.000006523 0.47669 13.75
391 4OBW SAM 0.000006497 0.49057 14.0078
392 3G2O SAM 0.0000004415 0.54098 14.7887
393 5KOK S9T 0.00000003654 0.70993 15.1408
394 5KOK R9T 0.0000001168 0.68217 15.1408
395 5KOK SAH 0.00000003918 0.67572 15.1408
396 1DL5 SAH 0.00001073 0.57121 15.493
397 5XVQ SAH 0.00004155 0.43449 15.493
398 1F3L SAH 0.0000006237 0.49628 15.8451
399 5F8F SFG 0.0000003669 0.61916 16.5493
400 5GM1 SAH 0.0000008496 0.49112 16.5493
401 3MB5 SAM 0.000008953 0.45541 16.5493
402 4AZW SAM 0.0000167 0.54833 17.2535
403 4AZT SAM 0.000007892 0.49441 17.2535
404 1UZN NAP 0.01016 0.40762 17.2535
405 3C3Y SAH 0.0001702 0.49949 17.7215
406 5MGZ SAH 0.000000206 0.64081 18.2203
407 5E9W SAH 0.000001049 0.59054 18.3099
408 5E8J SAH 0.000001464 0.55388 18.3099
409 3OU2 SAH 0.0000001801 0.49009 18.8073
410 5JE0 SAH 0.0000005581 0.6437 19.0283
411 5JE0 AZ8 0.0000005581 0.6437 19.0283
412 4PNE SAH 0.000002812 0.59344 20.7746
413 3BXO SAM 0.0000001574 0.63305 20.9205
414 5THY SAH 0.00001672 0.55076 22.8873
415 1VE3 SAM 0.000002048 0.51343 22.8873
416 5THZ SAH 0.00002342 0.54817 23.2394
417 4XUC 43G 0.00002753 0.56287 23.3945
418 4XUC SAM 0.00002753 0.56287 23.3945
419 1PN0 IPH 0.004532 0.46338 23.9437
420 1PN0 FAD 0.004368 0.46338 23.9437
421 3HVJ 705 0.00007209 0.54574 23.9819
422 3PFG SAM 0.001673 0.50886 27.7567
Pocket No.: 2; Query (leader) PDB : 3GU3; 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: 3gu3.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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