Receptor
PDB id Resolution Class Description Source Keywords
4KRG 1.68 Å EC: 2.-.-.- SEMET HAEMONCHUS CONTORTUS PHOSPHOETHANOLAMINE N-METHYLTRANS IN COMPLEX WITH PHOSPHOETHANOLAMINE AND S-ADENOSYLHOMOCYSTE HAEMONCHUS CONTORTUS METHYLTRANSFERASE PHOSPHOETHANOLAMINE S-ADENOSYLMETHIONINETRANSFERASE
Ref.: EVOLUTION OF STRUCTURE AND MECHANISTIC DIVERGENCE I DI-DOMAIN METHYLTRANSFERASES FROM NEMATODE PHOSPHOC BIOSYNTHESIS. STRUCTURE V. 21 1778 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OPE A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
141.063 C2 H8 N O4 P C(COP...
BOG A:504;
B:503;
B:504;
A:503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
SAH B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
NA B:505;
A:505;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KRG 1.68 Å EC: 2.-.-.- SEMET HAEMONCHUS CONTORTUS PHOSPHOETHANOLAMINE N-METHYLTRANS IN COMPLEX WITH PHOSPHOETHANOLAMINE AND S-ADENOSYLHOMOCYSTE HAEMONCHUS CONTORTUS METHYLTRANSFERASE PHOSPHOETHANOLAMINE S-ADENOSYLMETHIONINETRANSFERASE
Ref.: EVOLUTION OF STRUCTURE AND MECHANISTIC DIVERGENCE I DI-DOMAIN METHYLTRANSFERASES FROM NEMATODE PHOSPHOC BIOSYNTHESIS. STRUCTURE V. 21 1778 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 4KRG - 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 4KRG - 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 4KRG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OPE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 OPE 1 1
2 PC 0.518519 0.680851
3 EFS 0.5 0.605263
4 1SH 0.464286 0.853659
5 GPE 0.4 0.853659
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 : 4KRG; Ligand: SAH; Similar sites found: 294
This union binding pocket(no: 1) in the query (biounit: 4krg.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AWQ GLC GLC 0.008127 0.41158 1.07296
2 4MIG G3F 0.009211 0.43174 1.28755
3 3NTD FAD 0.01596 0.41135 1.28755
4 1RJD SAM 0.000001185 0.53176 1.49701
5 2PZM UDP 0.02122 0.40993 1.51515
6 2PZM NAD 0.02122 0.40993 1.51515
7 4DMG SAM 0.0000195 0.53257 1.52672
8 3JUT GTQ 0.009834 0.45516 1.53846
9 4RSL FAD 0.002558 0.44695 1.57303
10 2EG5 SAH 0.0000003363 0.60613 1.6129
11 3L9W AMP 0.00002876 0.4173 1.69492
12 3L9W GSH 0.00006926 0.4153 1.69492
13 3H8V ATP 0.005043 0.40268 1.71233
14 2YVF NAD 0.03045 0.41357 1.71569
15 2YVF FAD 0.0361 0.40922 1.71569
16 3PT9 SAH 0.00001627 0.51917 1.71674
17 1X87 NAD 0.0004163 0.41939 1.71674
18 3M6W SAM 0.002861 0.42263 1.72414
19 5L95 AMP 0.001638 0.43335 1.79211
20 1U2Z SAH 0.000005731 0.54914 1.84758
21 2ZWA SAH 0.00000518 0.49898 1.93133
22 4YNU LGC 0.01321 0.42407 1.93133
23 4USQ FAD 0.01775 0.40506 1.93906
24 2CDU FAD 0.005676 0.43061 1.99115
25 1G0N NDP 0.007092 0.42815 2.12014
26 1G0N PHH 0.009821 0.42433 2.12014
27 1Z6Z NAP 0.01363 0.40581 2.12766
28 3X0D SAH 0.0001501 0.45934 2.14592
29 2JHP SAH 0.0009042 0.44043 2.14592
30 5MPT SAH 0.0000006926 0.5643 2.17391
31 5E9W SAH 0.00000004444 0.59601 2.24359
32 4RPL 3UC 0.006975 0.44898 2.25564
33 4RPL FAD 0.007507 0.44548 2.25564
34 1ELI PYC 0.002386 0.45064 2.31362
35 1N2X SAM 0.0002456 0.42929 2.32558
36 1Z3C SA8 0.0000003804 0.4815 2.34899
37 1UWK NAD 0.0006534 0.48493 2.36052
38 2Q28 ADP 0.0001732 0.45405 2.36052
39 3UCL FAD 0.0154 0.43037 2.36052
40 3UCL CYH 0.0154 0.43037 2.36052
41 2IZ1 ATR 0.007679 0.42837 2.36052
42 3EYA FAD 0.006036 0.42824 2.36052
43 3UCL NAP 0.02368 0.42262 2.36052
44 2EJU SAH 0.00003626 0.49103 2.38095
45 1E1M FAD 0.04055 0.40283 2.3913
46 2VDV SAM 0.000002685 0.56498 2.43902
47 5BUK FAD 0.01137 0.42394 2.44444
48 5X62 SAH 0.0000006716 0.5768 2.46305
49 5XVK SAH 0.000007829 0.54306 2.46479
50 1RP0 AHZ 0.009283 0.416 2.46479
51 3GCZ SAM 0.00002218 0.51328 2.48227
52 2BGM NAJ 0.01074 0.40663 2.51799
53 2WA2 SAM 0.0000165 0.51621 2.53623
54 4D7E FAD 0.004492 0.43541 2.5641
55 3S1S SAH 0.00001222 0.47619 2.57511
56 2JJQ SAH 0.00000554 0.55063 2.58824
57 3TKA SAM 0.0001097 0.45639 2.59366
58 2PX8 SAH 0.00002974 0.49484 2.60223
59 1JT2 FER 0.007456 0.41544 2.61194
60 5CUQ NSC 0.000006022 0.56421 2.62172
61 3SSO SAH 0.0006886 0.42357 2.6253
62 4UCI SAM 0.0000107 0.52977 2.6506
63 4DCM SAM 0.00006126 0.49705 2.66667
64 5K7U SAM 0.001383 0.42595 2.66667
65 3BGD SAH 0.00003678 0.45638 2.69231
66 3BGD PM6 0.00005364 0.42244 2.69231
67 2AE2 PTO 0.01423 0.41565 2.69231
68 2AE2 NAP 0.01423 0.41565 2.69231
69 1Q0S SAH 0.00009132 0.43703 2.7027
70 3I53 SAH 0.0000325 0.47694 2.71084
71 5KMS NAD 0.02297 0.41786 2.71605
72 5ITV NAI 0.004853 0.42787 2.7451
73 2WSB NAD 0.001592 0.46117 2.75591
74 4C4A SAH 0.00002871 0.48616 2.7897
75 2F5Z FAD 0.005971 0.43659 2.7897
76 3UOY NAP 0.02837 0.41806 2.7897
77 3UOY FAD 0.02837 0.41806 2.7897
78 3ICR FAD 0.01654 0.40962 2.7897
79 4O08 PO6 0.01849 0.41043 2.80374
80 1WG8 SAM 0.00003615 0.51535 2.80702
81 4CNK FAD 0.02136 0.4053 2.8133
82 5IL1 SAM 0.0005286 0.44344 2.83019
83 4A6D SAM 0.000009034 0.50723 2.83286
84 1IM8 SAI 0.00000003273 0.59155 2.86885
85 1PR9 NAP 0.000483 0.47713 2.86885
86 3D3W NAP 0.0006051 0.47256 2.86885
87 2UYQ SAM 0.00002979 0.54891 2.90323
88 4X7Y SAH 0.01782 0.41186 2.91971
89 1MO9 FAD 0.04256 0.41411 3.00429
90 1MO9 KPC 0.04725 0.4122 3.00429
91 2DKH FAD 0.01771 0.40401 3.00429
92 2DKH 3HB 0.02554 0.40251 3.00429
93 2XVM SAH 0.00000002129 0.6211 3.01508
94 1P1C SAH 0.0002952 0.42781 3.01508
95 2BZG SAH 0.00002958 0.49479 3.01724
96 2A14 SAH 0.00001368 0.48365 3.04183
97 1I1N SAH 0.00000667 0.55472 3.09735
98 4NBW NAD 0.01047 0.40851 3.11284
99 3NDJ JHZ 0.00003003 0.55079 3.125
100 3FRH SAH 0.000006825 0.54574 3.16206
101 4AZW SAM 0.00000001724 0.61523 3.21888
102 5JJR SAH 0.00001035 0.5143 3.21888
103 1V59 NAD 0.001729 0.44156 3.21888
104 1V5F FAD 0.01708 0.4275 3.21888
105 4OPC FDA 0.04277 0.42008 3.31126
106 1R18 SAH 0.00001038 0.48531 3.52423
107 3VC1 SAH 0.000004909 0.58098 3.52564
108 3VC1 GST 0.000004909 0.40447 3.52564
109 4FC7 COA 0.005587 0.43705 3.61011
110 4ONQ SFG 0.00002824 0.49617 3.64146
111 2EFJ SAH 0.0000004459 0.58455 3.64583
112 2BRY FAD 0.004845 0.43039 3.64807
113 4TXI FAD 0.008199 0.41852 3.64807
114 3A25 SAM 0.0001151 0.47019 3.65448
115 1YC5 NCA 0.01018 0.40907 3.65854
116 3QOX SAH 0.000003049 0.56144 3.75587
117 5JCM NAD 0.0285 0.41681 3.7694
118 5JCM FAD 0.03221 0.41467 3.7694
119 5JCM ISD 0.03387 0.41467 3.7694
120 5GT9 NAP 0.01468 0.40552 3.80228
121 1G60 SAM 0.00002293 0.48951 3.84615
122 2P41 SAH 0.00001927 0.50314 3.93443
123 4N49 SAM 0.00002936 0.47741 3.97196
124 4X9M FAD 0.01449 0.41527 4.06699
125 3QWI NAP 0.009262 0.41605 4.07407
126 3QWI CUE 0.01459 0.41605 4.07407
127 4MO2 FDA 0.004515 0.43641 4.07609
128 1G55 SAH 0.00001961 0.49324 4.08163
129 4XUC 43G 0.000006552 0.56589 4.12844
130 4XUC SAM 0.000006552 0.56589 4.12844
131 5JAQ NAI 0.0009374 0.47103 4.18719
132 1NFQ NAI 0.01435 0.40717 4.23077
133 3G89 SAM 0.0000004346 0.60106 4.29185
134 1BZL FAD 0.02147 0.43553 4.29185
135 4REP FAD 0.00787 0.42701 4.29185
136 5FTW SAH 0.000006502 0.50486 4.29688
137 3EVG SAH 0.00001602 0.50624 4.36364
138 3O7W SAM 0.0000001621 0.58316 4.42177
139 3ML1 MGD 0.033 0.41633 4.44444
140 3NUG NAD 0.005886 0.42399 4.45344
141 2C31 ADP 0.00267 0.47195 4.50644
142 2C31 TZD 0.002746 0.47195 4.50644
143 1V6A TRE 0.01486 0.41173 4.51807
144 1UAY ADN 0.0009065 0.44964 4.54545
145 4IGH FMN 0.04268 0.40729 4.56989
146 4IGH ORO 0.04268 0.40729 4.56989
147 4IGH 1EA 0.04268 0.40729 4.56989
148 3LXD FAD 0.00806 0.42233 4.57831
149 4MO4 ACP 0.02185 0.40483 4.58221
150 3DXY SAM 0.00009302 0.50087 4.58716
151 5EZ7 FAD 0.02186 0.40575 4.59184
152 5MW4 5JU 0.00000781 0.57136 4.79042
153 3FUU ADN 0.00001776 0.49563 4.79705
154 3GU3 SAH 0.0000000952 0.65055 4.92958
155 1PS9 FAD 0.03001 0.4009 4.93562
156 4TM3 FAD 0.02539 0.42108 4.96614
157 1BC5 SAH 0.00007378 0.45105 5.20446
158 4IWN GEK 0.00000005063 0.64128 5.24017
159 1YXM ADE 0.008655 0.40574 5.28053
160 4QTU SAM 0.0000001647 0.57735 5.28846
161 1WY7 SAH 0.000003248 0.50286 5.31401
162 3CGD COA 0.024 0.42656 5.36481
163 3CGD FAD 0.024 0.42656 5.36481
164 3LAD FAD 0.01152 0.42191 5.36481
165 3GWZ SAH 0.00001282 0.50635 5.42005
166 3GXO SAH 0.00005448 0.49932 5.42005
167 2YY7 NAD 0.002774 0.43913 5.44872
168 2AOT SAH 0.000003276 0.53947 5.47945
169 1JQD SAH 0.000004626 0.45266 5.47945
170 1JQD HSM 0.0001456 0.41952 5.47945
171 2XYQ SAH 0.0001485 0.4671 5.51724
172 2WPF FAD 0.02378 0.43276 5.5794
173 5DM1 5D7 0.000001046 0.61148 5.61798
174 5DM1 SAH 0.000000969 0.61148 5.61798
175 5U8U FAD 0.01297 0.43414 5.79399
176 4BV6 FAD 0.01547 0.41483 5.79399
177 4J36 FAD 0.01186 0.4122 5.79399
178 4J36 1HR 0.02031 0.41086 5.79399
179 3DUW SAH 0.00004613 0.47942 5.8296
180 1JA9 NDP 0.01464 0.40675 5.83942
181 2PT9 S4M 0.0003558 0.41145 5.919
182 1R6D DAU 0.02263 0.41478 5.93472
183 1R6D NAD 0.0247 0.4136 5.93472
184 1O97 FAD 0.006037 0.44539 5.9375
185 1O97 AMP 0.006037 0.44539 5.9375
186 5XLX SAH 0.000708 0.4473 6.02837
187 3C6K SPD 0.000925 0.46779 6.03675
188 3C6K MTA 0.000925 0.46779 6.03675
189 5T2U NAP 0.01974 0.4018 6.04839
190 4FZV SAM 0.00001597 0.52456 6.12813
191 3VYW SAM 0.0000739 0.46529 6.16883
192 5THY SAH 0.000001054 0.53541 6.17284
193 4OBW SAM 0.000007507 0.52135 6.22568
194 4J1Q NDP 0.0121 0.40562 6.25
195 5GWX SAM 0.00003047 0.44953 6.33803
196 5GWX SAR 0.00003047 0.44953 6.33803
197 5G3U ITW 0.01407 0.41946 6.38298
198 4YSX FAD 0.02058 0.40884 6.41026
199 1QZZ SAM 0.00005165 0.50641 6.41711
200 5THZ SAH 0.000002255 0.56731 6.41975
201 4O4Z N2O 0.01507 0.40574 6.49351
202 2YX1 SFG 0.000004446 0.52306 6.54762
203 1QAN SAH 0.00000268 0.50715 6.55738
204 4BLW AMP 0.0005478 0.47593 6.57439
205 4BLW SAH 0.0007444 0.45949 6.57439
206 4YAG NAI 0.00667 0.43335 6.57439
207 1EJ0 SAM 0.000003539 0.53419 6.66667
208 1XDS SAM 0.00001635 0.5292 6.68449
209 1FWV SGA MAG FUC 0.01802 0.40305 6.71642
210 2GDZ NAD 0.001635 0.44838 6.74157
211 3VSE SAH 0.00008249 0.46229 6.78392
212 5FJN FAD 0.01847 0.41199 6.79825
213 5FJN BE2 0.02082 0.41199 6.79825
214 1MXH NAP 0.01594 0.41138 6.88406
215 1MXH DHF 0.02459 0.40236 6.88406
216 3CBG SAH 0.0001982 0.46916 6.89655
217 3JWH SAH 0.00000001125 0.61795 6.91244
218 1ZQ9 SAM 0.0001092 0.47221 7.01754
219 2DPM SAM 0.0005799 0.42039 7.04225
220 1LSS NAD 0.0001603 0.44803 7.14286
221 3BQF SSM 0.01534 0.41672 7.2165
222 4J7U NAP 0.01776 0.41282 7.29167
223 4J7U YTZ 0.01776 0.41282 7.29167
224 1TPY SAH 0.00003582 0.51126 7.31707
225 4M73 SAH 0.0000002669 0.63458 7.4184
226 4M73 M72 0.0000004258 0.43651 7.4184
227 2NXE SAM 0.00007089 0.47928 7.48031
228 3EGV SAH 0.0004506 0.45362 7.48299
229 3AD8 NAD 0.01194 0.41318 7.51073
230 5FA5 MTA 0.00005609 0.48554 7.62943
231 2HMT NAI 0.0001585 0.44295 7.63889
232 3CH6 NAP 0.00211 0.47173 8.04196
233 4GQB 0XU 0.00000482 0.48007 8.13953
234 3MB5 SAM 0.00005856 0.4553 8.23529
235 5HJM MTA 0.000001533 0.53666 8.23864
236 1L1E SAH 0.00002219 0.48295 8.36237
237 1Y8Q ATP 0.0006053 0.41533 8.3691
238 3DMH SAM 0.000005046 0.50683 8.39895
239 3DMH GMP 0.000009954 0.44914 8.39895
240 1NW5 SAM 0.0001685 0.4542 8.46395
241 4POO SAM 0.00117 0.40397 9
242 3RKR NAP 0.003418 0.43236 9.16031
243 4M37 SAH 0.00003838 0.48154 9.32945
244 4M38 SAH 0.00003611 0.47387 9.32945
245 3TLJ SAH 0.000009984 0.47912 9.65147
246 3G2O SAM 0.0000001451 0.59271 9.699
247 1DL5 SAH 0.000006857 0.55215 9.77918
248 1AE1 NAP 0.009447 0.41682 10.2564
249 3A4T SFG 0.00000372 0.50256 10.5839
250 2FK8 SAM 0.00001529 0.48877 10.6918
251 3TKY SAH 0.000004266 0.5474 11.1413
252 3GRU AMP 0.00001388 0.5319 11.1864
253 5KOK SAH 0.00000002381 0.64682 11.335
254 5KOK S9T 0.0000001276 0.64594 11.335
255 5KOK R9T 0.0000003912 0.6213 11.335
256 3P9C SAH 0.00007702 0.40633 11.5385
257 3GDH SAH 0.000001588 0.49647 11.6183
258 1NV8 MEQ 0.00005276 0.51365 11.9718
259 1NV8 SAM 0.00005767 0.51365 11.9718
260 1KYZ SAH 0.00003268 0.49412 12.0548
261 1KYZ FER 0.0002554 0.40829 12.0548
262 2ZIF SAM 0.000005697 0.51322 12.1212
263 3C3Y SAH 0.0001785 0.45511 12.2363
264 1KPG SAH 0.00003028 0.47188 12.5436
265 1KPH SAH 0.00004311 0.50767 12.892
266 5MGZ SAH 0.0000008 0.54976 13.1356
267 3LCC SAH 0.000002162 0.55467 13.1915
268 5M58 SAH 0.0000006343 0.58392 13.4783
269 4XCP PLM 0.01901 0.40937 13.5294
270 3EGI ADP 0.000006075 0.58145 13.5922
271 1JG3 ADN 0.00002019 0.50175 14.0426
272 1XHL NDP 0.0006769 0.46892 14.4781
273 2PXX SAH 0.0000007522 0.549 14.8837
274 5DX1 SFG 0.000003747 0.56195 15.1862
275 5DWQ SFG 0.000003772 0.5596 15.1862
276 5DX0 SFG 0.000005412 0.55472 15.1862
277 5DXA SFG 0.000003169 0.49595 15.1862
278 5DX8 SFG 0.000003661 0.49405 15.1862
279 3HVJ 705 0.000007469 0.56793 15.3846
280 2PWY SAH 0.00001113 0.5362 15.5039
281 4PIO SAH 0.00001631 0.54736 15.7895
282 4PIO AVI 0.00001507 0.54736 15.7895
283 5E8J SAH 0.00000002742 0.65579 15.9091
284 3OFK SAH 0.00001641 0.48113 18.0556
285 4Y2H SAH 0.0000049 0.57958 18.75
286 4Y2H 49K 0.00000662 0.57336 18.75
287 5E1M PRO PRO LYS ARG ILE ALA 0.000000006078 0.70781 20.7469
288 5E1M SAH 0.000000006078 0.70781 20.7469
289 1VE3 SAM 0.0000007404 0.56168 21.5859
290 3A27 SAM 0.00001299 0.51016 21.6912
291 4R6W SAH 0.000002787 0.44584 21.7054
292 3Q87 SAM 0.00006801 0.44808 23.5294
293 3FZG SAM 0.00004692 0.50222 24.5
294 2VWA PTY 0.01957 0.40548 24.7525
Pocket No.: 2; Query (leader) PDB : 4KRG; Ligand: OPE; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 4krg.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JCM 137 0.02486 0.40124 4.2471
2 4XJC TTP 0.03173 0.40501 4.51977
3 2R4J 13P 0.03229 0.43003 7.29614
Pocket No.: 3; Query (leader) PDB : 4KRG; Ligand: OPE; 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: 4krg.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KRG; Ligand: SAH; Similar sites found: 39
This union binding pocket(no: 4) in the query (biounit: 4krg.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DNC ASN 0.01663 0.40145 1.28755
2 3MJE NDP 0.01579 0.40611 1.71674
3 5EB4 FAD 0.02775 0.4047 1.71674
4 1N4W FAD 0.008253 0.43336 1.93133
5 1DMR PGD 0.04426 0.41097 1.93133
6 1H9A NAP 0.01931 0.40651 1.93133
7 1QO8 FAD 0.006221 0.43848 2.14592
8 5J60 FAD 0.01141 0.42367 2.1875
9 1PNO NAP 0.01159 0.41247 2.22222
10 1RSG FAD 0.011 0.42631 2.36052
11 4GLL NAD 0.02009 0.40348 2.37389
12 3RIY NAD 0.01928 0.402 2.5641
13 3SQP FAD 0.01568 0.46282 2.57511
14 5KMS FAD 0.024 0.40401 2.71605
15 4D42 W0I 0.04408 0.40176 2.83688
16 4D42 NAP 0.04408 0.40176 2.83688
17 4YRY FAD 0.03456 0.4017 3.26087
18 2HK9 ATR 0.008011 0.41255 3.63636
19 1FEC FAD 0.009377 0.43322 3.64807
20 4EIP FAD 0.03495 0.40309 3.64807
21 1D8C GLV 0.01546 0.40137 3.86266
22 1KEW TYD 0.03614 0.40615 3.87812
23 1NM5 NAD 0.02713 0.4139 3.90625
24 1NM5 NAP 0.02663 0.4136 3.90625
25 5M67 NAD 0.03846 0.40406 3.9666
26 5M67 3D1 0.04264 0.40178 3.9666
27 5MBX FAD 0.0309 0.4124 4.29185
28 5MBX SP5 0.0309 0.4124 4.29185
29 3OND ADN 0.04029 0.4023 4.29185
30 4USR FAD 0.02425 0.40066 4.43213
31 3ZNN FAD 0.04499 0.40532 4.61095
32 3FUR Z12 0.02176 0.41337 4.77941
33 2WPF WPF 0.0189 0.4412 5.5794
34 5IXH OTP 0.02445 0.4083 5.59006
35 5G3U FDA 0.007692 0.43005 6.38298
36 5JDI NAP 0.01705 0.40328 6.59722
37 5A3B APR 0.01738 0.40028 6.60066
38 5JCA FAD 0.02353 0.40999 7.04225
39 3Q9T FAY 0.02257 0.40726 11.588
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