Receptor
PDB id Resolution Class Description Source Keywords
5THY 2.09 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SEMET-SUBSTITUTED CURJ CARBON METHYLTRA MOOREA PRODUCENS 3L METHYLTRANSFERASE TRANSFERASE LYASE
Ref.: DOMAIN ORGANIZATION AND ACTIVE SITE ARCHITECTURE OF POLYKETIDE SYNTHASE C-METHYLTRANSFERASE. ACS CHEM. BIOL. V. 11 3319 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDS B:502;
Invalid;
none;
submit data
612.631 C20 H32 N6 O12 S2 C(CC(...
SAH B:501;
A:501;
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
5THY 2.09 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SEMET-SUBSTITUTED CURJ CARBON METHYLTRA MOOREA PRODUCENS 3L METHYLTRANSFERASE TRANSFERASE LYASE
Ref.: DOMAIN ORGANIZATION AND ACTIVE SITE ARCHITECTURE OF POLYKETIDE SYNTHASE C-METHYLTRANSFERASE. ACS CHEM. BIOL. V. 11 3319 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5THY - 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 1068 families.
1 5THY - 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 922 families.
1 5THY - 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 : 5THY; Ligand: SAH; Similar sites found: 413
This union binding pocket(no: 1) in the query (biounit: 5thy.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LSS NAD 0.004676 0.4047 None
2 3CH6 NAP 0.009556 0.42941 1.04895
3 3CH6 311 0.009556 0.42941 1.04895
4 4FC7 NAP 0.008255 0.41921 1.08303
5 4FC7 COA 0.008255 0.41921 1.08303
6 5GT9 NAP 0.00229 0.43181 1.14068
7 2B9W FAD 0.02535 0.40604 1.23457
8 1WD4 AHR 0.01971 0.40498 1.23457
9 5KVA SAM 0.000028 0.49967 1.43885
10 4MIG G3F 0.00136 0.46052 1.48148
11 4M00 SUC 0.01077 0.42726 1.48148
12 2Z49 AMG 0.009735 0.42173 1.48148
13 5ITV NAI 0.0008395 0.45081 1.56863
14 2YY7 NAD 0.0002043 0.47757 1.60256
15 5E1M SAH 0.0000019 0.57153 1.65975
16 5E1M PRO PRO LYS ARG ILE ALA 0.0000019 0.57153 1.65975
17 1XSE NDP 0.01414 0.40673 1.69492
18 2EJU SAH 0.0002082 0.47018 1.7284
19 4X9M FAD 0.006447 0.42217 1.7284
20 4D7E FAD 0.009782 0.40995 1.7284
21 5XVQ SAH 0.00000006195 0.58312 1.76056
22 3KLJ FAD 0.002573 0.43218 1.81818
23 4ITU 1HS 0.001425 0.45382 1.85874
24 4ITU NAI 0.0008283 0.45382 1.85874
25 3ABI NAD 0.001145 0.44353 1.91781
26 4C4A SAH 0.000009756 0.5106 1.97531
27 5FJN FAD 0.006784 0.42308 1.97531
28 5FJN BE2 0.007773 0.42308 1.97531
29 2CUN 3PG 0.02032 0.41029 1.97531
30 1E5Q NDP 0.0005369 0.40382 1.97531
31 1X87 NAD 0.00324 0.40132 1.97531
32 4NBU NAI 0.003163 0.42569 2
33 3O7W SAM 0.0000005159 0.53036 2.04082
34 4AG5 ADP 0.01969 0.41295 2.04082
35 2BD0 NAP 0.0003775 0.4674 2.04918
36 1YQZ FAD 0.007215 0.43384 2.05479
37 1VL0 NAI 0.001795 0.42903 2.05479
38 3ITJ FAD 0.02309 0.40291 2.07101
39 3NTA FAD 0.005393 0.42363 2.09059
40 5LOG SAH 0.0001458 0.46348 2.14592
41 2Q7V FAD 0.0009292 0.46117 2.15385
42 3CTY FAD 0.002114 0.44802 2.19436
43 3ICS FAD 0.005087 0.42477 2.22222
44 3ICR FAD 0.005743 0.42135 2.22222
45 2RGO FAD 0.01256 0.40614 2.22222
46 4EMI NAD 0.031 0.40445 2.22222
47 4EMI FAD 0.01441 0.40445 2.22222
48 1ELI PYC 0.002634 0.43757 2.31362
49 3FRH SAH 0.00001414 0.51439 2.37154
50 4HSU FAD 0.005053 0.43075 2.41935
51 3NUG NAD 0.0009806 0.44787 2.42915
52 4BV6 FAD 0.007249 0.42083 2.43408
53 4N49 SAM 0.000007113 0.52218 2.46914
54 2JJQ SAH 0.00001813 0.47402 2.46914
55 5G3U FDA 0.0008762 0.45896 2.46914
56 5G3U ITW 0.001262 0.45822 2.46914
57 3GDN HBX 0.01103 0.42012 2.46914
58 3GDN FAD 0.00788 0.42012 2.46914
59 1PS9 FAD 0.008101 0.41864 2.46914
60 2E5V FAD 0.01327 0.41071 2.46914
61 1YQT ADP 0.0225 0.40951 2.46914
62 5EOW FAD 0.01341 0.4017 2.46914
63 4D42 W0I 0.002279 0.45105 2.48227
64 4D42 NAP 0.002279 0.45105 2.48227
65 1F3L SAH 0.000158 0.45907 2.49221
66 2Y6Q I7T 0.01013 0.41864 2.51256
67 2Y6Q FAD 0.004902 0.41864 2.51256
68 5L4S NAP 0.003617 0.43032 2.51572
69 5L4S 6KX 0.003617 0.43032 2.51572
70 4UP3 FAD 0.01046 0.41267 2.54777
71 3O26 NDP 0.005068 0.41545 2.57235
72 5M58 SAH 0.00001213 0.50647 2.6087
73 1FP1 SAH 0.003258 0.43234 2.68817
74 5JJR SAH 0.000002986 0.55025 2.71605
75 4UCI SAM 0.000005739 0.51955 2.71605
76 3CGD FAD 0.002644 0.46474 2.71605
77 3CGD NAD 0.002644 0.46474 2.71605
78 3CGD COA 0.002644 0.46474 2.71605
79 1RSG FAD 0.002564 0.44226 2.71605
80 1QO8 FAD 0.004536 0.43102 2.71605
81 5BUK FAD 0.009499 0.41822 2.71605
82 2WPF FAD 0.04033 0.41283 2.71605
83 4IEE AGS 0.0151 0.41081 2.71605
84 3OND NAD 0.02261 0.40333 2.71605
85 3OND ADN 0.02261 0.40333 2.71605
86 2CFC NAD 0.008957 0.40338 2.8
87 4ONQ SFG 0.000009791 0.52785 2.80112
88 3G89 SAM 0.000004603 0.49467 2.81124
89 5T2U NAP 0.005197 0.41874 2.82258
90 4E70 N7I 0.001876 0.43421 2.83505
91 2JB2 PHE 0.001778 0.44738 2.96296
92 2JB2 FAD 0.001683 0.44738 2.96296
93 4MO2 FDA 0.004486 0.42614 2.96296
94 4MO2 FAD 0.005095 0.42473 2.96296
95 1PN0 IPH 0.01342 0.41462 2.96296
96 1PN0 FAD 0.0129 0.41462 2.96296
97 2HQM FAD 0.01526 0.40705 2.96296
98 5F2K OCA 0.0008103 0.45288 2.98913
99 5F2K SAH 0.0008103 0.45288 2.98913
100 2BZG SAH 0.001481 0.4178 3.01724
101 5JGL SAM 0.000001186 0.53284 3.11419
102 4Y2H SAH 0.0002355 0.48572 3.125
103 4Y2H 49K 0.0003761 0.47659 3.125
104 4RDH AMP 0.004456 0.4198 3.125
105 3BMQ NAP 0.00706 0.40918 3.125
106 5K6A NAP 0.007254 0.40867 3.125
107 4CME NAP 0.007259 0.40734 3.125
108 3JQF NAP 0.007848 0.40718 3.125
109 1FP2 SAH 0.01122 0.40623 3.125
110 4CM9 NAP 0.008358 0.40599 3.125
111 3H4V DVP 0.0175 0.40434 3.125
112 1LDN NAD 0.01121 0.40165 3.16456
113 1EFV FAD 0.01564 0.41662 3.1746
114 1EFV AMP 0.01594 0.41624 3.1746
115 3QOX SAH 0.00002782 0.50199 3.20988
116 3M6W SAM 0.001299 0.45016 3.20988
117 4RSL FAD 0.001911 0.44153 3.20988
118 4J1Q NDP 0.005503 0.41118 3.23276
119 1QAN SAH 0.000000174 0.5776 3.27869
120 5THQ NDP 0.003123 0.42459 3.30882
121 2VZ0 D64 0.03975 0.40688 3.35821
122 2VZ0 NAP 0.03975 0.40688 3.35821
123 1WY7 SAH 0.000001873 0.53587 3.38164
124 3LKZ SFG 0.000002404 0.54794 3.42679
125 3S1S SAH 0.0000006341 0.57122 3.45679
126 4HA6 FAD 0.002896 0.44083 3.45679
127 1COY FAD 0.002944 0.43854 3.45679
128 3AYI FAD 0.004934 0.43715 3.45679
129 3AYI HCI 0.005128 0.43715 3.45679
130 1D4D FAD 0.003585 0.43661 3.45679
131 3AB1 FAD 0.01231 0.40946 3.45679
132 1ZMD FAD 0.0159 0.40711 3.45679
133 1GET NAP 0.03502 0.40596 3.45679
134 1GET FAD 0.0359 0.40433 3.45679
135 5U8U FAD 0.03514 0.40421 3.45679
136 1ZMD NAI 0.006915 0.40403 3.45679
137 2F5Z FAD 0.01913 0.40344 3.45679
138 4YAG NAI 0.005302 0.42794 3.46021
139 1G60 SAM 0.00001523 0.50308 3.46154
140 3VC1 GST 0.00004816 0.51794 3.52564
141 3VC1 SAH 0.00004816 0.51794 3.52564
142 4CNK FAD 0.01553 0.40299 3.58056
143 3F4F UMP 0.009773 0.40427 3.59281
144 3EVF SAH 0.00002168 0.42023 3.61011
145 3EVF GTA 0.00002696 0.4057 3.61011
146 3I53 SAH 0.0001895 0.46276 3.61446
147 2WA2 SAM 0.000004389 0.51316 3.62319
148 4KIB SAH 0.000003317 0.51398 3.64146
149 4CVN ADP 0.01718 0.41234 3.64964
150 3ELW SAM 0.00001228 0.40727 3.66667
151 3ELW GP3 0.00001313 0.40297 3.66667
152 3C6K SPD 0.008938 0.4117 3.67454
153 3C6K MTA 0.008938 0.4117 3.67454
154 3D3W NAP 0.0004249 0.46656 3.68852
155 1PR9 NAP 0.0004669 0.46476 3.68852
156 2A14 SAH 0.0000004577 0.57457 3.7037
157 3QWI NAP 0.0006405 0.45735 3.7037
158 3QWI CUE 0.001129 0.45735 3.7037
159 2VVM FAD 0.003832 0.43236 3.7037
160 3NTD FAD 0.006048 0.42139 3.7037
161 1TZD ADP 0.033 0.40687 3.7037
162 1DL5 SAH 0.00001037 0.52646 3.78549
163 1ZEM NAD 0.0006592 0.41128 3.81679
164 3LCC SAH 0.00004118 0.4755 3.82979
165 1JJ7 ADP 0.01149 0.43004 3.84615
166 4M73 SAH 0.000002619 0.56871 3.85757
167 4M73 M72 0.000004065 0.5618 3.85757
168 1NV8 SAM 0.00009071 0.48964 3.87324
169 1NV8 MEQ 0.0001227 0.48228 3.87324
170 3K7S R52 0.01679 0.40441 3.91061
171 2ZWA SAH 0.000002174 0.53424 3.95062
172 5T67 SAH 0.0001525 0.49541 3.95062
173 5T67 JHZ 0.0002035 0.49541 3.95062
174 5X62 SAH 0.0001214 0.48546 3.95062
175 1N4W FAD 0.0008079 0.46603 3.95062
176 4TXI FAD 0.008753 0.40758 3.95062
177 3LST SAH 0.00296 0.43192 4.02299
178 5E72 SAM 0.000003426 0.53792 4.04624
179 5J60 FAD 0.002888 0.43789 4.0625
180 2VDV SAM 0.00002004 0.53282 4.06504
181 2PX8 SAH 0.000003517 0.52208 4.08922
182 5ULP KB1 0.000000796 0.53437 4.10448
183 5CUQ NSC 0.00000424 0.55271 4.11985
184 5DM1 SAH 0.00004786 0.51543 4.11985
185 5DM1 5D7 0.00005124 0.51543 4.11985
186 3MQ2 SAH 0.00001682 0.52356 4.12844
187 1N5D NDP 0.003503 0.42375 4.16667
188 2HNK SAH 0.00005805 0.48418 4.1841
189 1RJD SAM 0.000002448 0.54148 4.19162
190 4C3Y FAD 0.001247 0.45539 4.19753
191 4C3Y ANB 0.004957 0.43291 4.19753
192 4REP FAD 0.003814 0.43142 4.19753
193 3LXD FAD 0.00381 0.42706 4.19753
194 3AD8 NAD 0.003812 0.42588 4.19753
195 4NBW NAD 0.005085 0.41265 4.28016
196 1XG5 NAP 0.001625 0.4383 4.30108
197 2B4Q NAP 0.005871 0.41267 4.34783
198 2XT3 ADP 0.01152 0.42931 4.36047
199 1I1N SAH 0.00004627 0.50049 4.42478
200 3FUU ADN 0.0002291 0.45464 4.42804
201 3NDJ JHZ 0.0001372 0.5043 4.44444
202 3NDJ SAH 0.0001372 0.5043 4.44444
203 3X0D SAH 0.00005397 0.48031 4.44444
204 4O1M NAD 0.001901 0.43396 4.44444
205 3NKS FAD 0.005489 0.42223 4.44444
206 3LCV SAM 0.000002243 0.54809 4.62633
207 3AFN NAP 0.00619 0.4154 4.65116
208 1UWK NAD 0.006495 0.42666 4.69136
209 1UWK URO 0.006495 0.42666 4.69136
210 5M67 NAD 0.02469 0.40232 4.69136
211 5M67 ADE 0.02572 0.40149 4.69136
212 1NW5 SAM 0.00004782 0.48187 4.70219
213 1JQD SAH 0.00002296 0.51721 4.79452
214 2AOT SAH 0.000002674 0.51327 4.79452
215 1JQD HSM 0.00005908 0.4941 4.79452
216 3TLJ SAH 0.000006284 0.50711 4.82574
217 1YC5 NCA 0.006601 0.40777 4.87805
218 3TKY SAH 0.0001042 0.46912 4.8913
219 1IM8 SAI 0.01509 0.40985 4.91803
220 4AZT SAM 0.000001407 0.56445 4.93827
221 3E1T FAD 0.004313 0.43296 4.93827
222 1ZGA SAH 0.007537 0.41391 4.93827
223 3BXO SAM 0.000002208 0.50886 5.02092
224 2FK8 SAM 0.00001424 0.50961 5.03145
225 3GRU AMP 0.0001712 0.46872 5.08475
226 2HK9 ATR 0.009896 0.41566 5.09091
227 1XTP SAI 0.00001145 0.50123 5.11811
228 2CDU FAD 0.003408 0.43035 5.18518
229 1WG8 SAM 0.000003633 0.54158 5.26316
230 4RPL FAD 0.005494 0.44213 5.26316
231 4RPL 3UC 0.007578 0.43738 5.26316
232 2PWY SAH 0.0007785 0.47259 5.42636
233 3C3Y SAH 0.0000314 0.49014 5.48523
234 3OU2 SAH 0.00000005592 0.56639 5.50459
235 1XXR MAN 0.01924 0.41632 5.59006
236 1XDS SAM 0.0002726 0.48019 5.61497
237 1O5I NAD 0.001386 0.43048 5.62249
238 2DPM SAM 0.00005614 0.47668 5.6338
239 5JE0 SAH 0.000008432 0.53789 5.66802
240 5JE0 AZ8 0.000008432 0.53789 5.66802
241 2IID PHE 0.001917 0.45785 5.67901
242 2IID FAD 0.001917 0.45785 5.67901
243 1HGX 5GP 0.01834 0.40655 5.67901
244 4Q9N NAI 0.002538 0.42986 5.7047
245 1L3I SAH 0.00000245 0.50653 5.72917
246 2EFJ SAH 0.01464 0.40511 5.72917
247 1JJV ATP 0.007473 0.43139 5.82524
248 4FZV SAM 0.0000005925 0.56717 5.85774
249 4J7U NAP 0.01535 0.40693 5.90278
250 4J7U YTZ 0.01535 0.40693 5.90278
251 2WSB NAD 0.004691 0.4284 5.90551
252 3H2B SAH 0.000003084 0.54333 5.91133
253 1KYZ SAH 0.0001303 0.48411 5.92593
254 1E1M NAP 0.0171 0.41271 5.92593
255 1E1M FAD 0.0171 0.41271 5.92593
256 3F8D FAD 0.03197 0.40896 5.92593
257 5BW4 SAM 0.00003505 0.47728 5.99251
258 3FZG SAM 0.00002165 0.47557 6
259 1VM6 NAD 0.005144 0.40952 6.14035
260 4KRG SAH 0.000001054 0.53541 6.17284
261 3UCL FAD 0.002454 0.45943 6.17284
262 3UCL NAP 0.002701 0.45943 6.17284
263 3UCL CYH 0.002454 0.45943 6.17284
264 4YRY NAD 0.0112 0.42131 6.17284
265 4YRY FAD 0.01498 0.40742 6.17284
266 5N5D SAM 0.00007247 0.47479 6.19469
267 3P2E SAH 0.00003439 0.49366 6.22222
268 4LWP SAH 0.0000963 0.46536 6.25
269 1BC5 SAH 0.00001078 0.51934 6.3197
270 5MW4 5JU 0.00006106 0.5133 6.41975
271 1O94 ADP 0.003465 0.41527 6.43939
272 1O97 AMP 0.0274 0.40444 6.43939
273 1O97 FAD 0.0274 0.40444 6.43939
274 1NFQ NAI 0.003456 0.42529 6.53846
275 4BWL MN9 0.02722 0.40388 6.57895
276 5K7U SAM 0.001114 0.43853 6.59026
277 3PT9 SAH 0.0000006082 0.55101 6.66667
278 2Z3Y F2N 0.002483 0.44387 6.66667
279 3DUW SAH 0.0001711 0.45963 6.72646
280 4TQG NDP 0.003137 0.42312 6.81115
281 2PD4 NAD 0.001946 0.43999 6.90909
282 2PD4 DCN 0.001951 0.43994 6.90909
283 1V59 NAD 0.002028 0.44435 6.91358
284 4J36 1HR 0.008507 0.41952 6.91358
285 4J36 FAD 0.006191 0.41539 6.91358
286 1Q0S SAH 0.00001349 0.51743 6.94981
287 2BES RES 0.008755 0.41409 6.97674
288 2EG5 SAH 0.00001514 0.53846 6.98925
289 5IL1 SAM 0.0007366 0.44634 7
290 1ZQ9 SAM 0.0002404 0.44973 7.01754
291 1I9G SAM 0.006795 0.4536 7.14286
292 3OJF IMJ 0.0066 0.42267 7.16049
293 3OJF NDP 0.007863 0.41309 7.16049
294 3WMX NAD 0.0003421 0.41926 7.26257
295 4XUC 43G 0.00005821 0.506 7.33945
296 4XUC SAM 0.00005821 0.506 7.33945
297 4YNU FAD 0.01308 0.41186 7.40741
298 4YNU LGC 0.01592 0.41118 7.40741
299 1Y8Q ATP 0.001882 0.40674 7.40741
300 5XLX SAH 0.0000707 0.47055 7.44681
301 4NEC SAH 0.00001951 0.48099 7.57576
302 1YXM ADE 0.000196 0.52245 7.59076
303 2ZIF SAM 0.00001777 0.51098 7.74411
304 3OID NDP 0.001747 0.43957 7.75194
305 5DX1 SFG 0.00006222 0.49125 7.90123
306 5DX0 SFG 0.000248 0.46566 7.90123
307 5DWQ SFG 0.0002286 0.46533 7.90123
308 5DXA SFG 0.0001595 0.45036 7.90123
309 5DX8 SFG 0.0001933 0.4493 7.90123
310 1N2X SAM 0.000004405 0.51263 7.97342
311 1KPH SAH 0.00007266 0.48231 8.01394
312 3GCZ SAM 0.00000174 0.53492 8.15603
313 3GDH SAH 0.0000003028 0.54718 8.29876
314 2OBF SAH 0.0000004717 0.43176 8.3045
315 2OBF F83 0.0000004717 0.43176 8.3045
316 5E9W SAH 0.000004962 0.49091 8.33333
317 4YMH SAH 0.00004755 0.48779 8.33333
318 5L53 NAP 0.0008579 0.43735 8.33333
319 2ZFU SAH 0.00007701 0.47906 8.37209
320 1U2Z SAH 0.000603 0.44566 8.39506
321 4USR FAD 0.01295 0.40125 8.39506
322 1G55 SAH 0.0000007489 0.55584 8.45481
323 3HVJ 705 0.00001262 0.53988 8.59729
324 1IY8 NAD 0.002951 0.427 8.61423
325 1M0S CIT 0.01312 0.41387 8.6758
326 5FA8 SAM 0.0001363 0.47289 8.69565
327 2XYQ SAH 0.0001849 0.45383 9.01639
328 1L1E SAH 0.00001873 0.50466 9.05923
329 1SQF SAM 0.0000002007 0.57036 9.09091
330 3PFG SAM 0.02913 0.41776 9.12547
331 3PFG TLO 0.02913 0.41776 9.12547
332 3BGD SAH 0.001757 0.41191 9.1358
333 4JK3 NAD 0.005925 0.40837 9.26641
334 2P41 SAH 0.000007973 0.50878 9.5082
335 5E5U MLI 0.001347 0.43236 9.54774
336 4IWN GEK 0.000006664 0.52816 9.60699
337 4QTU SAM 0.000002106 0.55038 9.61539
338 4J4H 1J1 0.01467 0.41124 9.65251
339 4J4H NAI 0.01467 0.41124 9.65251
340 3EGI ADP 0.00006291 0.53746 9.70874
341 5GWX SAM 0.00002046 0.46739 9.85915
342 5GWX SAR 0.00002046 0.46739 9.85915
343 5JCA FAD 0.003865 0.43417 9.85915
344 5JCA NDP 0.01298 0.4231 9.85915
345 4FN4 NAD 0.0001789 0.47852 10.1235
346 5DNK SAH 0.0001482 0.43383 10.1235
347 2XAU ADP 0.01198 0.4038 10.1235
348 5CG1 NAD BBN 0.01079 0.42692 10.1639
349 3A4T SFG 0.0000008211 0.55116 10.219
350 5HJM MTA 0.0003685 0.45497 10.5114
351 3EVG SAH 0.0000028 0.55146 10.5455
352 5FTW SAH 0.00001992 0.50354 10.5469
353 3SSO SAH 0.001584 0.44965 10.6173
354 1Z6Z NAP 0.008457 0.40576 10.6383
355 2O07 SPD 0.002429 0.42933 10.8553
356 2O07 MTA 0.002349 0.42711 10.8553
357 1R18 SAH 0.002754 0.44551 10.8642
358 1E6E FAD 0.007555 0.41496 10.9375
359 2AG5 NAD 0.001246 0.44192 10.9756
360 3DXY SAM 0.00001566 0.54475 11.0092
361 1JQ3 AAT 0.0008261 0.45387 11.1486
362 4POO SAM 0.00006489 0.48852 11.5
363 2AE2 NAP 0.001535 0.45026 11.5385
364 2AE2 PTO 0.001535 0.45026 11.5385
365 3QVP FAD 0.007843 0.42113 11.6049
366 4BLW AMP 0.0002479 0.47825 11.7647
367 4BLW SAH 0.0001995 0.47147 11.7647
368 5GM1 SAH 0.000004522 0.51425 11.8519
369 1QG6 NAD 0.01285 0.41135 11.8774
370 1QG6 TCL 0.01285 0.41135 11.8774
371 5F8F SFG 0.000006795 0.54765 12.2016
372 4DCM SAM 0.00007673 0.45523 12.2667
373 1O8B ABF 0.01735 0.40777 12.3288
374 4A6D SAM 0.01219 0.41239 12.4646
375 1P77 ATR 0.01222 0.41998 12.5
376 5KOK S9T 0.00004521 0.51084 12.8463
377 5KOK SAH 0.00001476 0.50383 12.8463
378 5KOK R9T 0.000116 0.49133 12.8463
379 1FK8 NAD 0.0035 0.41666 13.2296
380 2NXE SAM 0.00005024 0.47568 13.7795
381 3EGV SAH 0.000246 0.47185 13.7795
382 5XVK SAH 0.0000001108 0.60317 14.0741
383 3DMH GMP 0.00001921 0.51691 14.1732
384 3DMH SAM 0.000009548 0.51685 14.1732
385 4OBW SAM 0.000003165 0.54915 14.3969
386 5MGZ SAH 0.00003228 0.49995 14.8305
387 4PIO SAH 0.00004448 0.51115 15.1703
388 4PIO AVI 0.00004472 0.50951 15.1703
389 1JG3 ADN 0.0005843 0.43263 15.7447
390 1AE1 NAP 0.0009911 0.4504 15.7509
391 2PT9 2MH 0.002914 0.43103 15.8879
392 2PT9 S4M 0.002584 0.42228 15.8879
393 3T7S SAM 0.00000594 0.51335 16.0448
394 2BOS GLA GAL GLC NBU 0.01774 0.41128 16.1765
395 2BOS GLA GAL GLC 0.0208 0.40667 16.1765
396 4PNE SAH 0.0000008543 0.56576 16.2252
397 3ML1 MGD 0.02832 0.41153 16.2963
398 4KRI SAH 0.000002649 0.54006 16.7901
399 1QZZ SAM 0.0002516 0.48181 16.7901
400 1Z3C SA8 0.00001679 0.52311 17.1141
401 1KPG SAH 0.00003883 0.49372 18.4669
402 5E8J SAH 0.000002655 0.57356 20.4545
403 1XCL SAH 0.0001714 0.48241 22.1277
404 3GU3 SAH 0.00001672 0.55076 22.8873
405 3MB5 SAM 0.004306 0.46691 23.1373
406 4M38 SAH 0.00001594 0.50758 23.8095
407 3OFK SAH 0.000001214 0.54446 24.537
408 5FA5 MTA 0.0004614 0.42657 25
409 1P1C SAH 0.00009854 0.47883 26.1307
410 1EJ0 SAM 0.0000003276 0.56344 27.2222
411 4R6W SAH 0.00001679 0.44218 28.2946
412 1TPY SAH 0.00004428 0.49133 28.9199
413 5MPT SAH 0.0000000000003445 0.85162 43.7037
Pocket No.: 2; Query (leader) PDB : 5THY; Ligand: SAH; Similar sites found: 38
This union binding pocket(no: 2) in the query (biounit: 5thy.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IV9 FAD 0.009299 0.41498 1.7284
2 3K8L CEY 0.006432 0.41197 1.7284
3 2G50 ALA 0.02216 0.40891 1.7284
4 2B4G FMN 0.007876 0.40306 1.89274
5 1P4A PCP 0.009621 0.40109 2.10526
6 4GUT FAD 0.005014 0.43268 2.41935
7 1GVE NAP 0.01184 0.40298 2.44648
8 1GY8 NAD 0.00962 0.40457 2.51889
9 3UOY NAP 0.004261 0.44933 2.71605
10 3UOY FAD 0.004261 0.44933 2.71605
11 1BZL FAD 0.03328 0.41744 2.71605
12 3Q9T FAY 0.01295 0.40553 2.71605
13 3H8V ATP 0.003375 0.40284 2.73973
14 3WGT FAD 0.02662 0.40004 2.88184
15 4UP4 NDG 0.004888 0.44331 2.96296
16 1V8K ANP 0.01295 0.40994 2.96296
17 3MJY IJZ 0.007226 0.41124 3.17919
18 3MJY FMN 0.007226 0.41124 3.17919
19 5J7X FAD 0.01689 0.40135 3.20988
20 1PZM 5GP 0.0176 0.40745 3.31754
21 1JNR FAD 0.04682 0.40239 3.33333
22 1COY AND 0.02752 0.40502 3.45679
23 5MBX FAD 0.007182 0.43107 3.7037
24 5MBX SP5 0.007182 0.43107 3.7037
25 4WZ6 ATP 0.02202 0.40701 3.7931
26 1M32 PLP 0.01889 0.41071 4.09836
27 3NJ4 NAD 0.04586 0.41632 4.69136
28 3NJ4 AFX 0.04796 0.41532 4.69136
29 2PS1 ORO 0.01298 0.41411 4.86726
30 4II2 ATP 0.004528 0.40528 4.90798
31 1ZN7 HSX 0.004619 0.43183 5
32 1ZN7 ADE 0.004619 0.43183 5
33 3G5S FAD 0.01716 0.40004 6.17284
34 5TVF CGQ 0.01225 0.41538 8.07018
35 2F5X ASP 0.02563 0.40333 9.29487
36 4YSX FAD 0.02058 0.40024 12.1795
37 5L95 AMP 0.00511 0.40046 12.5
38 4GQB 0XU 0.03793 0.42057 22.7273
Feedback