Receptor
PDB id Resolution Class Description Source Keywords
4KRI 1.72 Å EC: 2.-.-.- HAEMONCHUS CONTORTUS PHOSPHOLETHANOLAMINE N-METHYLTRANSFERAS COMPLEX WITH PHOSPHOMONOMETHYLETHANOLAMINE AND S-ADENOSYLHO HAEMONCHUS CONTORTUS METHYLTRANSFERASE TRANSFERASE
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
1SH B:702;
C:702;
A:702;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
155.09 C3 H10 N O4 P CNCCO...
SAH C:701;
B:701;
A:701;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KRI 1.72 Å EC: 2.-.-.- HAEMONCHUS CONTORTUS PHOSPHOLETHANOLAMINE N-METHYLTRANSFERAS COMPLEX WITH PHOSPHOMONOMETHYLETHANOLAMINE AND S-ADENOSYLHO HAEMONCHUS CONTORTUS METHYLTRANSFERASE TRANSFERASE
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 4KRI - 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 4KRI - 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 4KRI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1SH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 1SH 1 1
2 OPE 0.464286 0.853659
3 IP8 0.454545 0.644444
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 : 4KRI; Ligand: SAH; Similar sites found: 447
This union binding pocket(no: 1) in the query (biounit: 4kri.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EB4 FAD 0.005008 0.42711 0.923788
2 2DKH 3HB 0.00389 0.43104 1.15473
3 2DKH FAD 0.002732 0.43104 1.15473
4 1UP7 NAD 0.006487 0.40521 1.19904
5 5I39 FAD 0.001264 0.45184 1.22549
6 4YAG NAI 0.0002159 0.49094 1.38408
7 5J7X FAD 0.01571 0.40276 1.38568
8 2F5X ASP 0.02983 0.40131 1.60256
9 5U8U FAD 0.01206 0.42651 1.61663
10 5M67 NAD 0.01149 0.41774 1.61663
11 5M67 3D1 0.01187 0.41709 1.61663
12 5M67 ADE 0.01215 0.41663 1.61663
13 4EIP FAD 0.01335 0.41313 1.61663
14 4EIP K2C 0.01335 0.41313 1.61663
15 1R6D DAU 0.0155 0.41399 1.78042
16 1R6D NAD 0.01625 0.41375 1.78042
17 3MJE NDP 0.006062 0.41206 1.81452
18 3C6K SPD 0.000172 0.48799 1.83727
19 3C6K MTA 0.000172 0.48799 1.83727
20 3PT9 SAH 0.000005204 0.51221 1.84758
21 3S1S SAH 0.00003672 0.47531 1.84758
22 1QO8 FAD 0.001274 0.45603 1.84758
23 4RSL FAD 0.001625 0.44466 1.84758
24 1MO9 FAD 0.01026 0.43669 1.84758
25 1MO9 KPC 0.01245 0.43309 1.84758
26 2XVE FAD 0.008027 0.43233 1.84758
27 2XVF FAD 0.003321 0.43198 1.84758
28 3QVP FAD 0.005482 0.42822 1.84758
29 3OND ADN 0.008023 0.42414 1.84758
30 5MBX FAD 0.01019 0.42397 1.84758
31 5MBX SP5 0.01019 0.42397 1.84758
32 4D7E FAD 0.003451 0.43011 1.8648
33 4N49 SAM 0.001998 0.42012 1.86916
34 3LXD FAD 0.006623 0.4164 1.92771
35 2O07 MTA 0.0001772 0.42471 1.97368
36 2O07 SPD 0.000211 0.41172 1.97368
37 3O03 NAP 0.00179 0.43066 2.06186
38 4BLW AMP 0.000187 0.48365 2.07612
39 4BLW SAH 0.0001139 0.4819 2.07612
40 3UOY FAD 0.003808 0.45166 2.07852
41 3UOY NAP 0.003808 0.45166 2.07852
42 4BV6 FAD 0.002178 0.44446 2.07852
43 2E5V FAD 0.004038 0.43426 2.07852
44 4TM3 FAD 0.00958 0.43311 2.07852
45 1V59 FAD 0.005661 0.42939 2.07852
46 4REP FAD 0.004397 0.42865 2.07852
47 1V5F FAD 0.01121 0.42739 2.07852
48 3T31 DCQ 0.0102 0.42537 2.07852
49 3T31 FAD 0.009508 0.42537 2.07852
50 1V59 NAD 0.0002753 0.42462 2.07852
51 3NJ4 AFX 0.03263 0.42392 2.07852
52 3NJ4 NAD 0.03263 0.42392 2.07852
53 1ZMD NAI 0.001267 0.40615 2.07852
54 1RJD SAM 0.000004115 0.53209 2.09581
55 2DPM SAM 0.00007396 0.48199 2.11268
56 3U4C NDP 0.002125 0.43044 2.13523
57 4X7Y SAH 0.00633 0.4235 2.18978
58 2PX8 SAH 0.0006782 0.42949 2.23048
59 3ZNN FAD 0.002328 0.45548 2.30548
60 1RSG FAD 0.001384 0.45439 2.30947
61 3S5W FAD 0.0009605 0.44826 2.30947
62 2IV2 MGD 0.001431 0.44711 2.30947
63 1YY5 FAD 0.002524 0.4445 2.30947
64 2BRY FAD 0.001469 0.44289 2.30947
65 1REO FAD 0.002578 0.43907 2.30947
66 2VVM FAD 0.002933 0.43759 2.30947
67 2G50 ALA 0.02007 0.41196 2.30947
68 2IV2 2MD 0.006543 0.4119 2.30947
69 5FTW SAH 0.00004398 0.48921 2.34375
70 5ITV NAI 0.001161 0.44467 2.35294
71 4NTD FAD 0.003806 0.43041 2.35294
72 4AT0 FAD 0.008284 0.4235 2.35294
73 3O7W SAM 0.0000005346 0.52597 2.38095
74 3NUG NAD 0.006958 0.41073 2.42915
75 5JCM ISD 0.004784 0.44565 2.43902
76 5JCM NAD 0.004784 0.44565 2.43902
77 5JCM FAD 0.004634 0.44565 2.43902
78 1YC5 NCA 0.003031 0.42234 2.43902
79 1KYZ SAH 0.0001334 0.45875 2.46575
80 1KYZ FER 0.001498 0.43552 2.46575
81 4USQ FAD 0.001049 0.45062 2.49307
82 3UCL NAP 0.003487 0.45413 2.54042
83 3UCL CYH 0.003173 0.45413 2.54042
84 3UCL FAD 0.003173 0.45413 2.54042
85 5FJN FAD 0.001882 0.44834 2.54042
86 5FJN BE2 0.002181 0.44834 2.54042
87 4WCX MET 0.006747 0.44591 2.54042
88 1LVL NAD 0.0005892 0.44223 2.54042
89 2CDU FAD 0.002157 0.43919 2.54042
90 2RAB NAD 0.008518 0.43434 2.54042
91 2RAB FAD 0.004217 0.43434 2.54042
92 2CDU ADP 0.001514 0.41283 2.54042
93 2R4J 13P 0.006094 0.43288 2.59481
94 4M73 SAH 0.0000008847 0.58965 2.67062
95 4M73 M72 0.000003943 0.42742 2.67062
96 4ZCC NAI 0.003433 0.44365 2.67857
97 4ZCC FAD 0.003433 0.44365 2.67857
98 2YVF NAD 0.007221 0.43518 2.69608
99 2YVF FAD 0.006988 0.43518 2.69608
100 5JJR SAH 0.00008918 0.48617 2.77136
101 4TXI FAD 0.001521 0.44091 2.77136
102 1E1M FAD 0.004846 0.43829 2.77136
103 2WPF FAD 0.02526 0.42302 2.77136
104 2WPF WPF 0.0374 0.4157 2.77136
105 3CH6 NAP 0.01906 0.41516 2.7972
106 3CH6 311 0.01906 0.41516 2.7972
107 4CNK FAD 0.001724 0.44581 2.8133
108 1NW5 SAM 0.0001794 0.45815 2.82132
109 4EUE NAI 0.0004158 0.46556 2.87081
110 2EJU SAH 0.00000361 0.54667 2.91005
111 3VYW SAM 0.0001701 0.46472 2.92208
112 3TLJ SAH 0.0000287 0.47975 2.94906
113 5A3B APR 0.003317 0.41918 2.9703
114 1YXM ADE 0.01347 0.41783 2.9703
115 1N4W FAD 0.004163 0.43366 2.97619
116 3M6W SAM 0.001495 0.44134 3.00231
117 3GDN FAD 0.005154 0.4285 3.00231
118 3GDN HBX 0.007284 0.4285 3.00231
119 1PS9 FAD 0.01872 0.40212 3.00231
120 1DNP MHF 0.02 0.40161 3.00231
121 4A6D SAM 0.000009857 0.52187 3.11615
122 1RYI FAD 0.004824 0.42884 3.14136
123 5GWX SAR 0.00004333 0.45567 3.16901
124 5GWX SAM 0.00004333 0.45567 3.16901
125 1I2B NAD 0.02953 0.40224 3.21782
126 4DCM SAM 0.0000182 0.47634 3.23326
127 2IZ1 ATR 0.004287 0.4399 3.23326
128 2AQJ TRP 0.01554 0.41743 3.23326
129 2AQJ FAD 0.01605 0.41743 3.23326
130 3EYA FAD 0.009912 0.40862 3.23326
131 3OFK SAH 0.000001131 0.54554 3.24074
132 2WA2 SAM 0.00007678 0.46034 3.26087
133 3VSE SAH 0.000004896 0.47916 3.26633
134 1QAN SAH 0.0000006642 0.5538 3.27869
135 3C3Y SAH 0.0003307 0.44812 3.37553
136 4PIO SAH 0.00001618 0.53051 3.40557
137 4PIO AVI 0.00001642 0.52863 3.40557
138 5JAQ NAI 0.001701 0.44717 3.44828
139 1U2Z SAH 0.00005436 0.48973 3.4642
140 2RGO FAD 0.001742 0.44447 3.4642
141 3RKR NAP 0.002648 0.44362 3.4642
142 5TTJ FAD 0.002241 0.44286 3.4642
143 1GET NAP 0.009518 0.43324 3.4642
144 1GET FAD 0.008979 0.43324 3.4642
145 1FL2 FAD 0.005206 0.42535 3.54839
146 1KEW NAD 0.008258 0.42597 3.60111
147 1KYQ NAD 0.001989 0.43155 3.64964
148 5O4J 9KH 0.004484 0.42276 3.64964
149 5O4J SAH 0.004484 0.42276 3.64964
150 5O4J PJL 0.00466 0.42083 3.64964
151 2VDV SAM 0.00000009181 0.64139 3.65854
152 1D4D FAD 0.002101 0.44717 3.69515
153 5BUK FAD 0.003504 0.43801 3.69515
154 1V8B NAD 0.01108 0.40753 3.69515
155 1Y8Q ATP 0.0001269 0.44818 3.75723
156 4RL4 PPV 0.01375 0.41753 3.77358
157 4X9M FAD 0.00515 0.42657 3.82775
158 1WY7 SAH 0.00004916 0.48942 3.86473
159 1RP0 AHZ 0.001216 0.44517 3.87324
160 2PWY SAH 0.00001079 0.51934 3.87597
161 1V6A TRE 0.01197 0.42252 3.91566
162 3X0D SAH 0.000002366 0.53439 3.9261
163 4MIG G3F 0.002757 0.44636 3.9261
164 4FC7 COA 0.01061 0.41425 3.97112
165 4FC7 NAP 0.01061 0.41425 3.97112
166 3DUW SAH 0.00005503 0.47986 4.03587
167 5J60 FAD 0.005028 0.42704 4.0625
168 4XUC SAM 0.00003487 0.51581 4.12844
169 4XUC 43G 0.00003487 0.51581 4.12844
170 1KNR FAD 0.004272 0.43023 4.15704
171 5E9W SAH 0.0000002821 0.52442 4.16667
172 4NTC FAD 0.004014 0.43245 4.1791
173 1BXK NAD 0.001911 0.43243 4.22535
174 2Q1S NAI 0.007389 0.42231 4.24403
175 3GCZ SAM 0.00003623 0.47987 4.25532
176 3A25 SAM 0.00009417 0.48514 4.31894
177 4YRY FAD 0.004738 0.43016 4.34783
178 4YRY NAD 0.008806 0.42619 4.34783
179 1X87 NAD 0.0000978 0.47897 4.35572
180 3A4T SFG 0.000008258 0.50976 4.37956
181 3I53 SAH 0.000004949 0.52875 4.38799
182 2ZWA SAH 0.00001134 0.50508 4.38799
183 4AZW SAM 0.000029 0.49113 4.38799
184 5THQ NDP 0.007046 0.40922 4.41176
185 3G89 SAM 0.00000002991 0.664 4.41767
186 3ML1 MGD 0.01556 0.42413 4.44444
187 3H8V ATP 0.0004074 0.44019 4.45205
188 4Y2H SAH 0.000003934 0.56545 4.54545
189 4Y2H 49K 0.000007964 0.55171 4.54545
190 4YUW 4JU 0.001561 0.48585 4.60526
191 4YUW S4M 0.001527 0.48585 4.60526
192 3LAD FAD 0.007027 0.42239 4.61894
193 3OID NDP 0.005573 0.41741 4.65116
194 1E6E FAD 0.002754 0.43447 4.6875
195 2B9W FAD 0.03162 0.4015 4.71698
196 3CBG SAH 0.0006734 0.45244 4.74138
197 3CBG 4FE 0.01415 0.41074 4.74138
198 4OPC FDA 0.008185 0.44825 4.84988
199 1FEC FAD 0.008045 0.42325 4.84988
200 5MZI FAD 0.01716 0.41605 4.84988
201 5MZI FYK 0.01771 0.41605 4.84988
202 1MV8 NAD 0.008864 0.40085 4.84988
203 5DX1 SFG 0.000003665 0.54364 4.87106
204 5DX8 SFG 0.000003285 0.5411 4.87106
205 5DWQ SFG 0.000003928 0.54014 4.87106
206 5DX0 SFG 0.000005496 0.53614 4.87106
207 5DXA SFG 0.000003454 0.51544 4.87106
208 1ELI PYC 0.0005104 0.46946 4.88432
209 1NML CIT 0.02397 0.40485 4.90798
210 5X62 SAH 0.00000007716 0.62734 4.92611
211 5KMS NAD 0.009712 0.42706 4.93827
212 5KMS FAD 0.004884 0.4234 4.93827
213 2WK1 SAH 0.005556 0.40157 4.96454
214 4USR FAD 0.002416 0.43339 4.98615
215 3BGD SAH 0.000003796 0.51553 5
216 3BGD PM6 0.00001509 0.46384 5
217 2FAV APR 0.008381 0.40046 5
218 4UCI SAM 0.002877 0.40938 5.06024
219 1PN0 FAD 0.00147 0.45805 5.08083
220 1PN0 IPH 0.001538 0.45805 5.08083
221 3CGD FAD 0.02006 0.42196 5.08083
222 3CGD COA 0.02006 0.42196 5.08083
223 3CGD NAD 0.02006 0.42196 5.08083
224 1DMR PGD 0.03488 0.40549 5.08083
225 5BVA FAD 0.002565 0.44418 5.13447
226 2UYQ SAM 0.0001666 0.52148 5.16129
227 2BZG SAH 0.000001503 0.53581 5.17241
228 1I8T FAD 0.003835 0.43131 5.17711
229 2V6G NAP 0.002451 0.43052 5.21978
230 5CUQ NSC 0.00009431 0.49376 5.24345
231 1G8K MGD 0.003085 0.45667 5.26316
232 1O97 AMP 0.002451 0.45366 5.30303
233 1O97 FAD 0.002451 0.45366 5.30303
234 2DTX BMA 0.001727 0.44688 5.30303
235 5HSA FAS 0.003605 0.43456 5.31178
236 4Z24 FAD 0.005451 0.42739 5.31178
237 2JHP SAH 0.008225 0.40413 5.31178
238 1N2X SAM 0.00004321 0.47361 5.31561
239 1JNR FAD 0.01263 0.43016 5.33333
240 1ZEM NAD 0.0009305 0.44284 5.34351
241 2YX1 SFG 0.000003597 0.49289 5.35714
242 4RPL FAD 0.007383 0.43603 5.51378
243 4RPL 3UC 0.008345 0.43538 5.51378
244 3NTD FAD 0.007232 0.41791 5.54273
245 4RDH AMP 0.001412 0.44247 5.55556
246 4RDI ATP 0.001985 0.41217 5.55556
247 4LH7 1X8 0.0115 0.42442 5.57276
248 4DMG SAM 0.0002845 0.4849 5.59796
249 1WG8 SAM 0.00002544 0.50575 5.61404
250 2EG5 SAH 0.000001813 0.58125 5.64516
251 3GEG NAD 0.0001246 0.48199 5.66802
252 1XHL NDP 0.005209 0.41748 5.72391
253 2EFJ SAH 0.0000008412 0.53684 5.72917
254 4CVN ADP 0.02519 0.40372 5.75916
255 4C3Y FAD 0.003404 0.43569 5.77367
256 2V3V MGD 0.009579 0.43486 5.77367
257 4C3Y ANB 0.004536 0.43468 5.77367
258 4YDD MD1 0.01655 0.42338 5.77367
259 4YDD MGD 0.01655 0.42338 5.77367
260 4D79 ATP 0.001615 0.41976 5.7971
261 3EVG SAH 0.00002377 0.51111 5.81818
262 3U31 NAD 0.0004463 0.4409 5.86207
263 3QOX SAH 0.000005544 0.53152 5.86854
264 3MB5 SAM 0.000004811 0.51089 5.88235
265 1BC5 SAH 0.0000725 0.48445 5.94796
266 1Y63 ADP 0.01414 0.40807 5.97826
267 3FZG SAM 0.00001048 0.53912 6
268 4POO SAM 0.0004741 0.45191 6
269 2XRH NIO 0.02352 0.40168 6
270 1BZL FAD 0.02313 0.42535 6.00462
271 2IVF MGD 0.008363 0.41508 6.00462
272 4J36 FAD 0.001118 0.44809 6.0241
273 4J36 1HR 0.002193 0.44632 6.0241
274 3P9C SAH 0.0002452 0.40369 6.04396
275 2GAG NAD 0.002046 0.44136 6.06061
276 2GAG FAD 0.003741 0.43763 6.06061
277 2GAG FOA 0.003797 0.43733 6.06061
278 2PZM UDP 0.009624 0.41708 6.06061
279 2PZM NAD 0.009624 0.41708 6.06061
280 2AE2 PTO 0.007795 0.41844 6.15385
281 2AE2 NAP 0.007795 0.41844 6.15385
282 4C4A SAH 0.0000006572 0.55709 6.23557
283 1Q9I TEO 0.004195 0.44349 6.23557
284 2NVK FAD 0.003855 0.43324 6.23557
285 2F5Z FAD 0.005526 0.42806 6.25
286 4MO2 FDA 0.004323 0.42686 6.25
287 3HVJ 705 0.00007405 0.50562 6.33484
288 3WV8 ATP 0.001752 0.41844 6.42202
289 1LSS NAD 0.0001302 0.46956 6.42857
290 3AD8 FAD 0.00557 0.44314 6.46651
291 3AD8 PYC 0.00557 0.44314 6.46651
292 3AD8 NAD 0.001851 0.43973 6.46651
293 4YNU FAD 0.003778 0.43652 6.46651
294 4YNU LGC 0.004509 0.43652 6.46651
295 1PR9 NAP 0.001078 0.4488 6.55738
296 3D3W NAP 0.001168 0.44726 6.55738
297 3CTY FAD 0.003148 0.44013 6.58307
298 1UAY ADN 0.0004382 0.47062 6.61157
299 3GDH SAH 0.000004833 0.50069 6.639
300 2C7G FAD 0.005089 0.43882 6.69746
301 2C7G ODP 0.004904 0.43882 6.69746
302 3IHG FAD 0.003836 0.41934 6.69746
303 4II2 ATP 0.001105 0.43084 6.74847
304 3EGI ADP 0.000001599 0.61925 6.79612
305 2FKA BEF 0.01607 0.41698 6.97674
306 3BF8 MLA 0.004726 0.44283 7.05882
307 1G0N NDP 0.005861 0.42201 7.06714
308 1G0N PHH 0.007376 0.42049 7.06714
309 5DM1 SAH 0.00000005364 0.64737 7.11611
310 5DM1 5D7 0.00000005871 0.64737 7.11611
311 3SJ7 NDP 0.004811 0.41509 7.14286
312 3ICS FAD 0.003664 0.43115 7.15935
313 3ICR FAD 0.003663 0.43007 7.15935
314 4FWE FAD 0.006499 0.42485 7.15935
315 3ICT FAD 0.005305 0.42289 7.15935
316 5N53 8NB 0.02654 0.40412 7.17949
317 2GVC FAD 0.002396 0.43355 7.3903
318 5EZ7 FAD 0.0172 0.40195 7.39796
319 5K7U SAM 0.002613 0.40682 7.44986
320 3GRU AMP 0.000003733 0.53876 7.45763
321 5DLY SAH 0.000001374 0.58279 7.5188
322 5DLY 5D7 0.000001616 0.58279 7.5188
323 2P41 SAH 0.00002586 0.50953 7.54098
324 2V3A FAD 0.004683 0.42637 7.55208
325 3Q87 SAM 0.00008551 0.46093 7.64706
326 1ZQ9 SAM 0.00007995 0.48823 7.7193
327 3L9W AMP 0.0001507 0.48332 7.74818
328 3L9W GSH 0.0001427 0.48115 7.74818
329 2CBZ ATP 0.01852 0.41065 8.01688
330 1AE1 NAP 0.00574 0.41684 8.05861
331 2ZIF SAM 0.000006986 0.51547 8.08081
332 2C31 TZD 0.02079 0.41858 8.08314
333 2C31 ADP 0.02026 0.41858 8.08314
334 4HXY NDP 0.005806 0.41416 8.31409
335 1EJ0 SAM 0.00005374 0.47335 8.33333
336 2HMT NAI 0.0001795 0.45636 8.33333
337 2YY7 NAD 0.003752 0.42245 8.33333
338 4FZV SAM 0.000009399 0.51714 8.3682
339 4ONQ SFG 0.00005349 0.49582 8.40336
340 5HJM MTA 0.00003449 0.49873 8.52273
341 3TKA SAM 0.0009231 0.4341 8.64553
342 5IL1 SAM 0.000959 0.44136 8.66667
343 5L95 AMP 0.0002819 0.45087 8.75
344 2WSB NAD 0.007839 0.41833 8.77598
345 1NV8 SAM 0.00001581 0.52243 8.80282
346 1NV8 MEQ 0.00008617 0.48887 8.80282
347 3A27 SAM 0.0001677 0.47426 9.19118
348 1H82 FAD 0.01068 0.42373 9.23787
349 1H82 GZZ 0.01259 0.42373 9.23787
350 3Q9T FAY 0.01205 0.40795 9.23787
351 1R18 SAH 0.00001169 0.50341 9.2511
352 1JG3 ADN 0.00001077 0.52606 9.3617
353 5MX4 HPA 0.01392 0.41835 9.44206
354 2CHT TSA 0.02427 0.40456 9.44882
355 5G3U FDA 0.001322 0.45097 9.45626
356 5G3U ITW 0.006965 0.42438 9.45626
357 1G60 SAM 0.00002586 0.50405 9.61539
358 3SQP FAD 0.0255 0.43955 10.0418
359 2A14 SAH 0.000004385 0.53343 10.2662
360 1P77 ATR 0.004857 0.44061 10.6618
361 5MW4 5JU 0.00003757 0.52279 10.7784
362 1SB8 UD2 0.01912 0.40972 10.7955
363 1SB8 NAD 0.01646 0.40972 10.7955
364 1Q0S SAH 0.00008407 0.48375 10.8108
365 3GXO SAH 0.0000795 0.49918 10.8401
366 3GWZ SAH 0.00002925 0.4656 10.8401
367 4M37 SAH 0.000002036 0.53769 11.0787
368 1G55 SAH 0.000009994 0.52161 11.0787
369 2Q28 ADP 0.001133 0.43422 11.0855
370 5D4V SAH 0.005026 0.40513 11.194
371 5XVK SAH 0.0000009101 0.56461 11.2676
372 3NDJ JHZ 0.000003638 0.57649 11.2981
373 3DXY SAM 0.00000004549 0.66532 11.4679
374 1R37 NAD 0.01356 0.40148 11.5274
375 2GDZ NAD 0.005123 0.41524 11.6105
376 3TKY SAH 0.000001224 0.54703 11.6848
377 5UAO FAD 0.01041 0.41081 11.7783
378 1UWK NAD 0.000674 0.47165 12.2402
379 1S7G NAD 0.004338 0.41969 12.253
380 1S7G APR 0.009085 0.40805 12.253
381 1XCL SAH 0.00006194 0.42365 12.3404
382 4COV GLA GAL 0.02492 0.40669 12.3596
383 2JJQ SAH 0.0002758 0.47995 12.4706
384 5MPT SAH 0.000002856 0.52549 12.5604
385 3QWI NAP 0.007712 0.41 12.5926
386 3QWI CUE 0.01257 0.40999 12.5926
387 5JCA FAD 0.002766 0.44076 12.6761
388 5JCA NDP 0.005841 0.43954 12.6761
389 3JWH SAH 0.00000004089 0.55608 12.9032
390 3FRH SAH 0.00002344 0.50513 13.0435
391 5KOK SAH 0.00000004558 0.60483 13.0982
392 5KOK S9T 0.0000008787 0.5863 13.0982
393 5KOK R9T 0.000001399 0.57561 13.0982
394 1IM8 SAI 0.00000001262 0.63684 13.1148
395 3SSO SAH 0.0002347 0.45889 13.1265
396 3F8D FAD 0.01866 0.42031 13.6223
397 3GU3 SAH 0.0000003019 0.63566 13.7324
398 1GPE FAD 0.005037 0.43171 13.8568
399 3DMH SAM 0.000003007 0.53777 14.4357
400 3DMH GMP 0.000005018 0.47519 14.4357
401 1P1C SAH 0.0003212 0.44002 14.5729
402 3G2O SAM 0.0000001869 0.60253 14.7157
403 5XLX SAH 0.0001767 0.45452 14.8936
404 1ORR NAD 0.0103 0.40564 14.9856
405 4YSX FAD 0.001249 0.4543 15.9574
406 3VC1 SAH 0.000000000973 0.72922 16.3462
407 3VC1 GST 0.000000000973 0.51231 16.3462
408 2XYQ SAH 0.0006064 0.45001 16.3934
409 2PT9 2MH 0.00009038 0.49757 16.5109
410 2PT9 S4M 0.00004714 0.49638 16.5109
411 5THY SAH 0.000002649 0.54006 16.7901
412 1DL5 SAH 0.000003504 0.54662 17.0347
413 1JQ3 AAT 0.00008357 0.41255 17.2297
414 5THZ SAH 0.000002462 0.54639 17.7778
415 1EDO NAP 0.004162 0.42176 18.0328
416 3FUU ADN 0.000004118 0.53799 18.0812
417 2AOT SAH 0.0000002794 0.54541 18.1507
418 1JQD SAH 0.000005303 0.4623 18.1507
419 1JQD HSM 0.00002854 0.45702 18.1507
420 2I7C AAT 0.0001016 0.40895 18.7279
421 3EGV SAH 0.000008233 0.53733 18.8976
422 2NXE SAM 0.000006769 0.53481 18.8976
423 1XDS SAM 0.000004459 0.56311 19.2513
424 1QZZ SAM 0.00002562 0.52787 19.2513
425 4OBW SAM 0.000001044 0.57007 19.4553
426 5M58 SAH 0.0000000677 0.59731 19.5652
427 5LW0 AR6 0.00539 0.40712 19.9134
428 5MGZ SAH 0.000000007617 0.63603 19.9153
429 1Z3C SA8 0.000000327 0.59734 20.4698
430 2PXX SAH 0.0000007071 0.57054 21.8605
431 1I1N SAH 0.000006458 0.53728 22.5664
432 4IWN GEK 0.00000003768 0.62291 23.1441
433 3LCC SAH 0.00000009503 0.57504 24.6809
434 5E1M SAH 0.00001271 0.53514 25.3112
435 5E1M PRO PRO LYS ARG ILE ALA 0.00001271 0.53514 25.3112
436 1VE3 SAM 0.00000005367 0.62607 25.5507
437 2XVM SAH 0.00000001593 0.58109 25.6281
438 4GQB 0XU 0.000009156 0.52456 27.2727
439 4QTU SAM 0.00000001369 0.64342 28.3654
440 1L1E SAH 0.00000002034 0.6282 28.5714
441 4M38 SAH 0.000003269 0.53625 28.5714
442 1KPG SAH 0.000000003616 0.64539 28.9199
443 2FK8 SAM 0.00000002031 0.62822 28.9308
444 1KPH SAH 0.00000000457 0.65845 29.2683
445 5FA5 MTA 0.000007819 0.49073 30
446 1TPY SAH 0.000000006643 0.65163 37.9791
447 5E8J SAH 0.0000004198 0.61075 43.1818
Pocket No.: 2; Query (leader) PDB : 4KRI; Ligand: 1SH; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 4kri.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KJU 6TO 0.02325 0.406 2.30947
2 5F3I 5UJ 0.04472 0.40066 4.44444
3 3EWC MCF 0.02603 0.40941 5.39084
4 5U98 1KX 0.02055 0.42921 6.06061
5 5AYE BMA BMA 0.01053 0.41377 13.4328
6 1KPH 10A 0.006364 0.43272 29.2683
7 1TPY 16A 0.007507 0.4246 37.9791
Pocket No.: 3; Query (leader) PDB : 4KRI; Ligand: SAH; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 4kri.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4J4H NAI 0.02125 0.4049 2.3166
2 4J4H 1J1 0.02039 0.4049 2.3166
3 4BUZ OCZ 0.004903 0.42065 2.43902
4 4BUZ NAD 0.003969 0.42065 2.43902
5 4BUZ OAD 0.004903 0.42065 2.43902
6 5GT9 NAP 0.01049 0.40591 2.6616
7 4BHL ARG 0.02717 0.40094 3.08989
8 3WCZ CIT 0.009731 0.4048 3.24675
9 2VHW NAI 0.0187 0.40014 3.44828
10 2BGM NAJ 0.007373 0.40741 3.59712
11 2AG5 NAD 0.008846 0.40797 4.06504
12 3TY3 GGG 0.009824 0.42655 4.09836
13 1G2O IMH 0.009425 0.40324 4.47761
14 4D42 W0I 0.02871 0.40261 4.96454
15 4D42 NAP 0.02871 0.40261 4.96454
16 2FZW NAD 0.02285 0.40259 5.09383
17 2AJH MET 0.03092 0.40141 5.10204
18 3NT6 FAD 0.01894 0.40187 5.54273
19 1EK6 UPG 0.03286 0.40326 5.74713
20 1EK6 NAI 0.03543 0.40035 5.74713
21 2OCI TYC 0.02023 0.40896 6.29921
22 2DFV NAD 0.01144 0.40041 6.34006
23 2PD4 DCN 0.0153 0.40308 6.90909
24 2PD4 NAD 0.01688 0.40113 6.90909
25 3RIY NAD 0.01024 0.40514 7.69231
26 1JA9 NDP 0.01327 0.40254 8.39416
27 4NBW NAD 0.01016 0.40267 9.33852
Pocket No.: 4; Query (leader) PDB : 4KRI; Ligand: 1SH; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 4kri.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VPQ ANP 0.01173 0.42255 3.10421
2 4NMC FAD 0.02444 0.42296 5.77367
3 4NMC 2OP 0.02344 0.42296 5.77367
4 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.04139 0.40423 8.15603
5 5IXH OTP 0.0449 0.41194 14.9068
Pocket No.: 5; Query (leader) PDB : 4KRI; Ligand: 1SH; 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: 4kri.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4KRI; Ligand: SAH; Similar sites found: 2
This union binding pocket(no: 6) in the query (biounit: 4kri.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1B74 DGN 0.0378 0.40036 2.75591
2 1Q8Q MAN MMA 0.02641 0.40532 5.15873
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