Receptor
PDB id Resolution Class Description Source Keywords
4PNE 1.5 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE [4+2]-CYCLASE SPNF SACCHAROPOLYSPORA SPINOSA CYCLASE SAM-DEPENDENT METHYLTRANSFERASE-LIKE SPINOSYN SYNTTRANSFERASE BIOSYNTHETIC PROTEIN
Ref.: THE STRUCTURE OF SPNF, A STANDALONE ENZYME THAT CAT + 2] CYCLOADDITION. NAT.CHEM.BIOL. V. 11 256 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:302;
B:302;
Invalid;
Invalid;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
SAH A:301;
B:301;
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
4PNE 1.5 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE [4+2]-CYCLASE SPNF SACCHAROPOLYSPORA SPINOSA CYCLASE SAM-DEPENDENT METHYLTRANSFERASE-LIKE SPINOSYN SYNTTRANSFERASE BIOSYNTHETIC PROTEIN
Ref.: THE STRUCTURE OF SPNF, A STANDALONE ENZYME THAT CAT + 2] CYCLOADDITION. NAT.CHEM.BIOL. V. 11 256 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 4PNE - 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 211 families.
1 4PNE - 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 166 families.
1 4PNE - 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 : 4PNE; Ligand: SAH; Similar sites found: 262
This union binding pocket(no: 1) in the query (biounit: 4pne.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.008053 0.44929 None
2 4QAR ADE 0.009496 0.4118 None
3 4D79 ATP 0.002214 0.42914 1.08696
4 3U31 NAD 0.002366 0.41722 1.37931
5 1Q0S SAH 0.0002865 0.45305 1.5444
6 2DPM SAM 0.00006036 0.4831 1.76056
7 4JCA CIT 0.0239 0.41699 1.79641
8 1G55 SAH 0.00004288 0.49912 1.98676
9 4UCI SAM 0.0001277 0.45233 1.98676
10 2YX1 SFG 0.000167 0.42514 1.98676
11 5BUK FAD 0.01424 0.40477 1.98676
12 2YLN CYS 0.02421 0.40701 2.12014
13 3A27 SAM 0.003116 0.42262 2.20588
14 5X62 SAH 0.000003837 0.55696 2.31788
15 1RJD SAM 0.000004899 0.51099 2.31788
16 3VSE SAH 0.0001322 0.50489 2.31788
17 3PT9 SAH 0.0001591 0.47938 2.31788
18 4N49 SAM 0.0003536 0.45544 2.31788
19 2YY7 NAD 0.001561 0.43212 2.31788
20 1P31 EPU 0.007083 0.40692 2.31788
21 4RL4 PPV 0.01143 0.42721 2.35849
22 2AJH MET 0.03076 0.40458 2.55102
23 4PIO AVI 0.00001971 0.44191 2.64901
24 4PIO SAH 0.0000199 0.43706 2.64901
25 5FJN FAD 0.007513 0.41522 2.64901
26 5FJN BE2 0.008644 0.41522 2.64901
27 2V3V MGD 0.02936 0.40642 2.64901
28 3L9W AMP 0.0005143 0.40616 2.64901
29 1N2X SAM 0.00009649 0.47033 2.65781
30 3O7W SAM 0.0000005556 0.61041 2.72109
31 2YJP CYS 0.01329 0.42433 2.74914
32 3BY8 MLT 0.01845 0.41205 2.8169
33 1WY7 SAH 0.0002556 0.45719 2.89855
34 4XCP PLM 0.03236 0.40389 2.94118
35 1X87 NAD 0.001125 0.42707 2.98013
36 1ELI PYC 0.005508 0.41716 2.98013
37 1G60 SAM 0.00005389 0.46366 3.07692
38 4CS9 AMP 0.007761 0.42769 3.1746
39 4FC7 NAP 0.002889 0.43339 3.2491
40 4FC7 COA 0.002889 0.43339 3.2491
41 1KYQ NAD 0.006067 0.41338 3.28467
42 5KXE 6Y2 0.005109 0.44484 3.29218
43 2E5V FAD 0.009235 0.4122 3.31126
44 3FRH SAH 0.000002631 0.53375 3.55731
45 2HK9 ATR 0.007492 0.4249 3.63636
46 2PT9 2MH 0.004633 0.41595 3.64238
47 2PT9 S4M 0.003202 0.41187 3.64238
48 4XUC 43G 0.0001732 0.47663 3.66972
49 4XUC SAM 0.0001732 0.47663 3.66972
50 1P77 ATR 0.005029 0.44324 3.67647
51 2VT3 ATP 0.005656 0.42653 3.72093
52 1XCL SAH 0.0004008 0.41091 3.82979
53 4OB1 BUB 0.02615 0.40358 3.86266
54 3OID NDP 0.005706 0.41092 3.87597
55 1EJ0 SAM 0.0001019 0.45114 3.88889
56 3FGZ BEF 0.004971 0.42743 3.90625
57 2WSB NAD 0.01373 0.4019 3.93701
58 1YXM ADE 0.0002934 0.51097 3.97351
59 3EF0 ALF 0.003305 0.45482 3.97351
60 5K7U SAM 0.002122 0.42996 3.97351
61 4YNU FAD 0.01069 0.41027 3.97351
62 4YNU LGC 0.01269 0.41027 3.97351
63 3W68 PBU 0.03137 0.40232 3.97351
64 5IL1 SAM 0.0007833 0.44898 4
65 3CH6 NAP 0.01434 0.41566 4.1958
66 3CH6 311 0.01434 0.41566 4.1958
67 5JJR SAH 0.00003457 0.5085 4.30464
68 2GCG DGY 0.03693 0.40225 4.30464
69 1AE1 NAP 0.001157 0.44028 4.3956
70 1I1N SAH 0.00001578 0.47291 4.42478
71 5D4V SAH 0.005714 0.40136 4.47761
72 1P1C SAH 0.001417 0.423 4.52261
73 2EG5 SAH 0.000001598 0.58889 4.63576
74 1U2Z SAH 0.0001629 0.4611 4.63576
75 1W73 NAP 0.003009 0.40684 4.63576
76 1W8D NAP 0.002997 0.40454 4.63576
77 2IVF MGD 0.0109 0.40433 4.6729
78 1JAY F42 0.02246 0.40129 4.71698
79 3EVG SAH 0.00001716 0.52186 4.72727
80 5O4J SAH 0.009241 0.40317 4.74453
81 5O4J 9KH 0.009241 0.40317 4.74453
82 5O4J PJL 0.008979 0.40256 4.74453
83 5CUQ NSC 0.00007358 0.4894 4.86891
84 2UYQ SAM 0.00004182 0.55788 4.96689
85 3S1S SAH 0.000228 0.45518 4.96689
86 1V59 NAD 0.004325 0.43214 4.96689
87 2F5X ASP 0.0173 0.4167 4.96689
88 3A25 SAM 0.001107 0.44238 4.98339
89 1LVG ADP 0.02565 0.40638 5.05051
90 5FTW SAH 0.000004804 0.53415 5.07812
91 1R18 SAH 0.000034 0.48344 5.28634
92 2P41 SAH 0.00002096 0.51805 5.29801
93 1VRP IOM 0.01946 0.41619 5.29801
94 1QAN SAH 0.000007074 0.52159 5.32787
95 2PX8 SAH 0.0002321 0.43571 5.57621
96 1IY8 NAD 0.002 0.4276 5.61798
97 3M6W SAM 0.007292 0.4134 5.62914
98 1TZD ADP 0.03184 0.40393 5.62914
99 1Y8Q ATP 0.0007237 0.42927 5.96026
100 1NW5 SAM 0.001261 0.41324 5.96026
101 3ZNN FAD 0.01468 0.41255 5.96026
102 3ZNN 4WL 0.01468 0.41255 5.96026
103 4AQ4 G3P 0.03182 0.40147 5.96026
104 4POO SAM 0.000477 0.44402 6
105 3G2O SAM 0.0000001008 0.61984 6.02007
106 1O5I NAD 0.004004 0.41432 6.0241
107 4BLW SAH 0.0002299 0.43698 6.22837
108 4BLW AMP 0.000262 0.40318 6.22837
109 1RGE 2GP 0.02472 0.40844 6.25
110 3ZVS MLI 0.01014 0.40617 6.25
111 3SLS 77D 0.01117 0.40145 6.25
112 5E8J SAH 0.000000592 0.60912 6.29139
113 3TKY SAH 0.000001374 0.52593 6.29139
114 5E9W SAH 0.0000007358 0.497 6.29139
115 4C4A SAH 0.00003149 0.47409 6.29139
116 5ERM 210 0.01004 0.4286 6.29139
117 4EUE NAI 0.0003069 0.4094 6.29139
118 3C6K MTA 0.009402 0.40504 6.29139
119 3C6K SPD 0.009402 0.40504 6.29139
120 1ZQ9 SAM 0.0007078 0.45091 6.31579
121 3GCZ SAM 0.00003048 0.5109 6.38298
122 3WV8 ATP 0.007533 0.40248 6.42202
123 2XVM SAH 0.00000003108 0.66914 6.53266
124 4RDH AMP 0.002472 0.43499 6.59722
125 4ONQ SFG 0.00001115 0.53008 6.62252
126 5GT9 NAP 0.004067 0.41465 6.62252
127 1TE2 PGA 0.008902 0.43401 6.63717
128 2ZIF SAM 0.00004863 0.49676 6.73401
129 2WA2 SAM 0.00004671 0.45603 6.88406
130 2EJU SAH 0.00003839 0.5065 6.95364
131 4BV6 FAD 0.01554 0.40047 6.95364
132 1WG8 SAM 0.00009157 0.47325 7.01754
133 1SQS TLA 0.009537 0.43128 7.02479
134 3GRU AMP 0.00007286 0.47527 7.11864
135 2AOT SAH 0.000001308 0.58524 7.19178
136 1JQD SAH 0.00003018 0.44985 7.19178
137 1JQD HSM 0.0002701 0.43336 7.19178
138 4IF4 BEF 0.004674 0.44238 7.21154
139 1JG3 ADN 0.00007222 0.49445 7.23404
140 2JJQ SAH 0.0003293 0.48036 7.28477
141 5XL4 SIA 0.01293 0.41741 7.28477
142 2VZ6 FEF 0.009216 0.41632 7.28477
143 2AG5 NAD 0.005652 0.40734 7.31707
144 3VYW SAM 0.001228 0.43264 7.46753
145 3GWZ SAH 0.00001465 0.54376 7.58808
146 3GXO SAH 0.00003532 0.51961 7.58808
147 5HJM MTA 0.0001281 0.47866 7.61589
148 4J1Q NDP 0.007183 0.40031 7.61589
149 3A4T SFG 0.00006114 0.48287 7.66423
150 5XVK SAH 0.000002106 0.53768 7.74648
151 1NV8 SAM 0.00002458 0.45828 7.74648
152 1NV8 MEQ 0.0001236 0.43986 7.74648
153 2PWY SAH 0.02178 0.40052 7.75194
154 2CHT TSA 0.01753 0.41504 7.87402
155 1DL5 SAH 0.00004154 0.46558 7.94702
156 4II2 ATP 0.002234 0.42167 7.97546
157 3DUW SAH 0.000374 0.43565 8.07175
158 3BGD SAH 0.00001571 0.50228 8.07692
159 3BGD PM6 0.00003274 0.4633 8.07692
160 1NFQ NAI 0.005465 0.4105 8.07692
161 4FZV SAM 0.00005306 0.49017 8.07799
162 3H8V ATP 0.0005875 0.42309 8.21918
163 5L95 AMP 0.0005637 0.45098 8.24373
164 1GY8 NAD 0.005182 0.41022 8.27815
165 4DCM SAM 0.00007427 0.44499 8.60927
166 3WMX NAD 0.0009059 0.40164 8.60927
167 3KO0 TFP 0.01812 0.40884 8.91089
168 3NDJ SAH 0.00004553 0.51681 8.9404
169 3NDJ JHZ 0.00004553 0.51681 8.9404
170 3X0D SAH 0.0000396 0.47045 8.9404
171 2PZM NAD 0.01278 0.40599 8.9404
172 2PZM UDP 0.01278 0.40599 8.9404
173 1NW4 IMH 0.02302 0.40467 8.9404
174 1L0I PSR 0.006353 0.43196 8.97436
175 1L7N ALF 0.01401 0.40312 9.00474
176 2ZL4 ALA ALA ALA ALA 0.02728 0.40498 9.18367
177 3FUU ADN 0.00008008 0.48744 9.22509
178 2A14 SAH 0.000002635 0.52846 9.5057
179 3QOX SAH 0.00001494 0.50317 9.60265
180 5DX8 SFG 0.00005504 0.48021 9.60265
181 5DXA SFG 0.00005992 0.47872 9.60265
182 5DWQ SFG 0.00007885 0.47589 9.60265
183 5DX0 SFG 0.00009234 0.47502 9.60265
184 5DX1 SFG 0.00007128 0.4624 9.60265
185 5MW4 5JU 0.00008028 0.41724 9.60265
186 1KYZ SAH 0.0001103 0.49153 9.93377
187 4WA2 SIA GAL NAG 0.02452 0.40741 9.93377
188 2UYN 2KT 0.005263 0.44225 10.0775
189 4M73 SAH 0.00000114 0.46242 10.2649
190 4M73 M72 0.000006912 0.4342 10.2649
191 3G89 SAM 0.000000139 0.63863 10.4418
192 5XLX SAH 0.00004001 0.46438 10.6383
193 1BC5 SAH 0.00003632 0.48753 10.7807
194 4DMG SAM 0.001656 0.45218 10.9415
195 3JWH SAH 0.000000175 0.52057 11.0599
196 3Q87 SAM 0.0003506 0.4476 11.1765
197 1LSS NAD 0.0002072 0.46522 11.4286
198 2ZWA SAH 0.00001181 0.51239 11.5894
199 3C3Y SAH 0.001588 0.412 11.8143
200 1KPG SAH 0.0000000004125 0.69661 12.5436
201 3DMH SAM 0.00003058 0.50026 12.9139
202 3DMH GMP 0.00008193 0.44729 12.9139
203 2NXE SAM 0.000008063 0.53627 12.9921
204 3EGV SAH 0.00001878 0.52602 12.9921
205 1SQL GUN 0.0256 0.40712 13.0137
206 1KPH SAH 0.0000000003472 0.6997 13.2404
207 1L1E SAH 0.000000003378 0.66707 13.2404
208 5ITV NAI 0.001622 0.43142 13.3333
209 4X5S AZM 0.03375 0.40421 13.3621
210 1TPY SAH 0.0000000005717 0.69075 13.5889
211 3GDH SAH 0.0000146 0.49548 13.6929
212 4M38 SAH 0.00004166 0.4946 14.2384
213 4AZW SAM 0.000002716 0.51392 14.5695
214 3DXY SAM 0.000003303 0.58182 14.6789
215 4Y2H 49K 0.000124 0.48949 15.2318
216 4Y2H SAH 0.0001589 0.48484 15.2318
217 3EGI ADP 0.00004445 0.54959 15.534
218 3I53 SAH 0.000004151 0.51412 15.6627
219 5FA5 MTA 0.0000651 0.50744 15.894
220 5THY SAH 0.0000008543 0.56576 16.2252
221 3LCC SAH 0.00000004035 0.56583 16.8874
222 3D3W NAP 0.002451 0.42648 17.2131
223 1PR9 NAP 0.002633 0.42516 17.2131
224 1XDS SAM 0.000004293 0.56876 17.2185
225 1QZZ SAM 0.000006073 0.5617 17.2185
226 2JHP SAH 0.000546 0.46035 17.8808
227 4OBW SAM 0.000003566 0.55182 18.677
228 3TLJ SAH 0.00007495 0.47477 18.8742
229 5THZ SAH 0.000001275 0.54651 19.2053
230 2BZG SAH 0.000007308 0.49377 20.6897
231 3GU3 SAH 0.000002812 0.59344 20.7746
232 1IM8 SAI 0.00000001197 0.64391 21.3115
233 5DM1 SAH 0.0000008184 0.45538 21.3483
234 5DM1 5D7 0.0000008906 0.44955 21.3483
235 2FK8 SAM 0.000000002662 0.67143 21.5232
236 2VDV SAM 0.0000001208 0.64149 21.5447
237 4R6W SAH 0.00000001735 0.54452 21.7054
238 4R6W PC 0.00000009431 0.42589 21.7054
239 1VHW ADN 0.01331 0.41256 21.7391
240 2OBF SAH 0.00006118 0.40012 21.7993
241 2OBF F83 0.00006118 0.40012 21.7993
242 5MPT SAH 0.0000002798 0.60037 21.8543
243 1VE3 SAM 0.00000004576 0.63491 22.0264
244 3FZG SAM 0.000005736 0.55581 24
245 3OFK SAH 0.000007717 0.52003 24.0741
246 4IWN GEK 0.00000003855 0.60812 24.4541
247 5MGZ SAH 0.00000000831 0.65882 24.5763
248 5DLY SAH 0.00003347 0.41468 25.9398
249 5DLY 5D7 0.00003874 0.40493 25.9398
250 5KOK SAH 0.000000009328 0.65667 26.1589
251 5KOK S9T 0.0000002741 0.49339 26.1589
252 5KOK R9T 0.0000007581 0.48516 26.1589
253 5M58 SAH 0.00000005348 0.57775 26.5217
254 2PXX SAH 0.00000002088 0.64161 27.907
255 1Z3C SA8 0.000006804 0.52938 28.8591
256 3VC1 SAH 0.00000000001193 0.56977 29.1667
257 3VC1 GST 0.00000000001193 0.56977 29.1667
258 5GWX SAM 0.0001195 0.44972 30.9859
259 5GWX SAR 0.0001195 0.44972 30.9859
260 5E1M PRO PRO LYS ARG ILE ALA 0.000006748 0.45104 37.3444
261 5E1M SAH 0.000006748 0.45104 37.3444
262 4QTU SAM 0.00000007885 0.61679 37.9808
Pocket No.: 2; Query (leader) PDB : 4PNE; 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: 4pne.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4PNE; Ligand: SAH; 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: 4pne.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4PNE; Ligand: SAH; Similar sites found: 16
This union binding pocket(no: 4) in the query (biounit: 4pne.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JCM NAD 0.03496 0.40013 1.65563
2 5JCM FAD 0.03496 0.40013 1.65563
3 5JCM ISD 0.03691 0.40013 1.65563
4 3X01 AMP 0.03521 0.40139 1.98676
5 2HYV UAP SGN IDS SGN IDS 0.03546 0.40095 2.5974
6 3L9W GSH 0.0008964 0.40661 2.64901
7 4EIL CB3 0.01907 0.40482 2.64901
8 4XFR CIT 0.02645 0.40444 2.64901
9 1Q8A HCS 0.007631 0.43685 2.98013
10 1KZL CRM 0.009026 0.4209 3.36538
11 1D4D FAD 0.01532 0.40251 3.64238
12 4J36 FAD 0.01131 0.40051 8.27815
13 4J36 1HR 0.017 0.40051 8.27815
14 5J7W MTX 0.02044 0.40333 8.9404
15 3JUC PCA 0.03178 0.40177 10.4575
16 2BWN SIN 0.03017 0.40379 14.9007
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