Receptor
PDB id Resolution Class Description Source Keywords
4EK9 2.5 Å EC: 2.1.1.43 CRYSTAL STRUCTURE OF DOT1L IN COMPLEX WITH EPZ000004 HOMO SAPIENS METHYLTRANSFERASE TRANSFERASE TRANSFERASE-TRANSFERASE INHICOMPLEX
Ref.: CONFORMATIONAL ADAPTATION DRIVES POTENT, SELECTIVE DURABLE INHIBITION OF THE HUMAN PROTEIN METHYLTRANS DOT1L. CHEM.BIOL.DRUG DES. V. 80 971 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EP4 A:501;
Valid;
none;
Ki = 38000 nM
294.31 C12 H18 N6 O3 CN(C)...
GOL A:504;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:502;
A:503;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QOX 2.3 Å EC: 2.1.1.43 DOT1L STRUCTURE IN COMPLEX WITH SAH HOMO SAPIENS H3K79 METHYLATION TRANSFERASE
Ref.: CHEMOGENETIC ANALYSIS OF HUMAN PROTEIN METHYLTRANSF CHEM.BIOL.DRUG DES. V. 78 199 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 3QOW - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3QOX Ki = 0.27 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1NW3 - SAM C15 H22 N6 O5 S C[S@@+](CC....
4 4EK9 Ki = 38000 nM EP4 C12 H18 N6 O3 CN(C)C[C@@....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 5MVS ic50 = 190 nM 5JJ C20 H17 Cl2 N3 CCC#CCN(c1....
2 5DTR ic50 = 39 uM 5F7 C17 H14 Cl2 N2 O CN(c1ccc2c....
3 5DT2 ic50 = 150 nM 5EV C26 H23 N5 O Cc1cc2ccc(....
4 5DRY ic50 = 20 nM 5EK C24 H18 Cl2 N8 O2 c1ccc(c(c1....
5 3SR4 Ki = 0.29 uM TT8 C15 H22 N6 O5 S CNc1c2c(nc....
6 5DSX ic50 = 10 nM 5EW C26 H24 Cl N7 O Cc1cc2ccc(....
7 5MW3 ic50 = 190 nM 5JJ C20 H17 Cl2 N3 CCC#CCN(c1....
8 5MW4 Ki = 0.002 nM 5JU C32 H36 Cl N9 O2 S Cc1c(cccn1....
9 5DTM ic50 = 320 uM 5F4 C13 H10 Cl2 N2 O2 CNC(=O)c1c....
10 4WVL - 3US C33 H51 N9 O5 CC(C)N(CCC....
11 3QOW - SAM C15 H22 N6 O5 S C[S@@+](CC....
12 3QOX Ki = 0.27 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 1NW3 - SAM C15 H22 N6 O5 S C[S@@+](CC....
14 4EK9 Ki = 38000 nM EP4 C12 H18 N6 O3 CN(C)C[C@@....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5MVS ic50 = 190 nM 5JJ C20 H17 Cl2 N3 CCC#CCN(c1....
2 5DTR ic50 = 39 uM 5F7 C17 H14 Cl2 N2 O CN(c1ccc2c....
3 5DT2 ic50 = 150 nM 5EV C26 H23 N5 O Cc1cc2ccc(....
4 5DRY ic50 = 20 nM 5EK C24 H18 Cl2 N8 O2 c1ccc(c(c1....
5 3SR4 Ki = 0.29 uM TT8 C15 H22 N6 O5 S CNc1c2c(nc....
6 5DSX ic50 = 10 nM 5EW C26 H24 Cl N7 O Cc1cc2ccc(....
7 5MW3 ic50 = 190 nM 5JJ C20 H17 Cl2 N3 CCC#CCN(c1....
8 5MW4 Ki = 0.002 nM 5JU C32 H36 Cl N9 O2 S Cc1c(cccn1....
9 5DTM ic50 = 320 uM 5F4 C13 H10 Cl2 N2 O2 CNC(=O)c1c....
10 4WVL - 3US C33 H51 N9 O5 CC(C)N(CCC....
11 3QOW - SAM C15 H22 N6 O5 S C[S@@+](CC....
12 3QOX Ki = 0.27 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 1NW3 - SAM C15 H22 N6 O5 S C[S@@+](CC....
14 4EK9 Ki = 38000 nM EP4 C12 H18 N6 O3 CN(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EP4; Similar ligands found: 252
No: Ligand ECFP6 Tc MDL keys Tc
1 EP4 1 1
2 RAB 0.754386 0.852941
3 XYA 0.754386 0.852941
4 ADN 0.754386 0.852941
5 5N5 0.728814 0.880597
6 MAO 0.720588 0.807692
7 5CD 0.716667 0.865672
8 A4D 0.716667 0.852941
9 M2T 0.698413 0.941176
10 MHZ 0.690141 0.807692
11 MTA 0.6875 0.939394
12 DTA 0.671875 0.816901
13 3DH 0.666667 0.882353
14 SA8 0.662162 0.875
15 6RE 0.637681 0.786667
16 S4M 0.633803 0.818182
17 5AD 0.633333 0.830769
18 ZAS 0.623188 0.819444
19 AMP 0.623188 0.773333
20 A 0.623188 0.773333
21 ABM 0.619718 0.8
22 J7C 0.619718 0.797297
23 A2D 0.619718 0.753247
24 SRA 0.614286 0.734177
25 GJV 0.611111 0.776316
26 AOC 0.605634 0.855072
27 DSH 0.605634 0.821918
28 AMP MG 0.605634 0.753247
29 62X 0.60241 0.866667
30 A3N 0.597222 0.869565
31 5AS 0.594595 0.681818
32 AP2 0.581081 0.725
33 A12 0.581081 0.725
34 BA3 0.581081 0.753247
35 M33 0.578947 0.789474
36 B4P 0.573333 0.753247
37 ADP 0.573333 0.753247
38 AP5 0.573333 0.753247
39 7D7 0.571429 0.771429
40 Y3J 0.569231 0.779412
41 A7D 0.565789 0.830986
42 AN2 0.565789 0.74359
43 SON 0.565789 0.725
44 APR 0.564103 0.753247
45 PRX 0.564103 0.779221
46 AR6 0.564103 0.753247
47 SAM 0.5625 0.826667
48 CA0 0.558442 0.734177
49 AU1 0.558442 0.734177
50 ADX 0.558442 0.682353
51 ADP MG 0.558442 0.74359
52 K15 0.55814 0.815789
53 26A 0.552239 0.897059
54 50T 0.551282 0.74359
55 ADP BEF 0.551282 0.725
56 ATP 0.551282 0.753247
57 BEF ADP 0.551282 0.725
58 SFG 0.551282 0.802817
59 5X8 0.551282 0.842857
60 ACP 0.551282 0.734177
61 AQP 0.544304 0.753247
62 5FA 0.544304 0.753247
63 APC 0.544304 0.725
64 SMM 0.542169 0.818182
65 S7M 0.542169 0.779221
66 3AM 0.541667 0.736842
67 NEC 0.540541 0.826087
68 AD9 0.5375 0.734177
69 RBY 0.5375 0.725
70 SAP 0.5375 0.716049
71 ADP PO3 0.5375 0.773333
72 ADV 0.5375 0.725
73 A5D 0.5375 0.816901
74 AGS 0.5375 0.716049
75 5AL 0.536585 0.766234
76 EEM 0.536585 0.826667
77 ATP MG 0.530864 0.74359
78 SAI 0.530864 0.808219
79 G5A 0.530864 0.662921
80 SAH 0.530864 0.819444
81 A5A 0.53012 0.686047
82 ACQ 0.52439 0.734177
83 TAT 0.52439 0.725
84 ANP 0.52439 0.734177
85 GAP 0.52439 0.75641
86 GEK 0.523256 0.786667
87 KB1 0.522222 0.789474
88 A3G 0.52 0.830986
89 AAT 0.518072 0.776316
90 VMS 0.517647 0.709302
91 54H 0.517647 0.709302
92 52H 0.517647 0.701149
93 3AD 0.514706 0.838235
94 ATF 0.511905 0.725
95 ADP ALF 0.511905 0.716049
96 ALF ADP 0.511905 0.716049
97 TSB 0.511628 0.678161
98 DAL AMP 0.511628 0.766234
99 53H 0.511628 0.701149
100 A22 0.511628 0.74359
101 2AM 0.506849 0.727273
102 SSA 0.505882 0.644444
103 ADP VO4 0.505882 0.74359
104 VO4 ADP 0.505882 0.74359
105 SRP 0.505882 0.725
106 ANP MG 0.505882 0.716049
107 5SV 0.505747 0.740741
108 8QN 0.505747 0.766234
109 OAD 0.505618 0.75641
110 PAJ 0.5 0.775
111 A3P 0.5 0.75
112 KH3 0.5 0.805195
113 CC5 0.5 0.850746
114 0UM 0.5 0.813333
115 A1R 0.5 0.728395
116 LSS 0.5 0.704545
117 JB6 0.494505 0.707317
118 3OD 0.494505 0.75641
119 AHX 0.494382 0.698795
120 00A 0.494382 0.707317
121 NVA LMS 0.494382 0.666667
122 5CA 0.494253 0.644444
123 MAP 0.494253 0.716049
124 A3T 0.493827 0.855072
125 7D5 0.493151 0.696203
126 N8M 0.493151 0.984848
127 MTP 0.492754 0.780822
128 LEU LMS 0.488889 0.704545
129 25A 0.488636 0.753247
130 OOB 0.488636 0.74359
131 S8M 0.488636 0.786667
132 A3S 0.4875 0.816901
133 OVE 0.486842 0.7
134 LAD 0.483516 0.710843
135 KAA 0.483516 0.641304
136 4AD 0.483146 0.716049
137 NSS 0.483146 0.644444
138 AMO 0.483146 0.725
139 DSZ 0.483146 0.644444
140 ADQ 0.483146 0.734177
141 QQX 0.48 0.675
142 SXZ 0.478261 0.851351
143 ME8 0.478261 0.756098
144 BIS 0.478261 0.707317
145 PTJ 0.478261 0.78481
146 1ZZ 0.478261 0.714286
147 TXA 0.478261 0.746835
148 DLL 0.477778 0.74359
149 ACK 0.473684 0.72
150 RP1 0.473684 0.708861
151 SP1 0.473684 0.708861
152 QQY 0.473684 0.683544
153 MYR AMP 0.473118 0.714286
154 3UK 0.472527 0.734177
155 A6D 0.472527 0.725
156 ADP BMA 0.472527 0.734177
157 3D1 0.471429 0.777778
158 3L1 0.471429 0.777778
159 PR8 0.467391 0.702381
160 A A 0.467391 0.753247
161 P5A 0.467391 0.634409
162 WAQ 0.467391 0.707317
163 GSU 0.467391 0.644444
164 2FA 0.464789 0.794521
165 6MD 0.464789 0.867647
166 PAP 0.464286 0.74026
167 2BA 0.4625 0.746667
168 A2P 0.4625 0.736842
169 CMP 0.4625 0.756757
170 FYA 0.462366 0.74359
171 NB8 0.462366 0.698795
172 XAH 0.458333 0.694118
173 5F1 0.458333 0.760563
174 2VA 0.457831 0.884058
175 25L 0.457447 0.74359
176 V3L 0.453488 0.753247
177 9SN 0.452632 0.698795
178 7D3 0.45 0.679012
179 G3A 0.44898 0.698795
180 PPS 0.448276 0.662791
181 ATP A A A 0.447917 0.763158
182 YAP 0.447917 0.716049
183 FA5 0.447917 0.725
184 NVA 2AD 0.447059 0.794521
185 48N 0.445545 0.719512
186 YLP 0.445545 0.697674
187 AR6 AR6 0.444444 0.753247
188 1DA 0.444444 0.852941
189 G5P 0.444444 0.698795
190 YSA 0.443299 0.644444
191 TYR AMP 0.443299 0.725
192 NOC 0.442857 0.768116
193 VRT 0.44186 0.821918
194 SO8 0.44186 0.871429
195 GTA 0.44 0.714286
196 4UV 0.438776 0.716049
197 AMP DBH 0.438776 0.734177
198 OMR 0.436893 0.705882
199 3NZ 0.43617 0.810811
200 AHZ 0.435644 0.694118
201 2A5 0.435294 0.691358
202 7C5 0.434343 0.753247
203 A2R 0.433333 0.74359
204 YLB 0.432692 0.717647
205 YLC 0.432692 0.714286
206 AP0 0.432692 0.719512
207 ATR 0.430233 0.727273
208 7MD 0.43 0.694118
209 AFH 0.43 0.690476
210 4UU 0.43 0.716049
211 D3Y 0.428571 0.794521
212 7D4 0.428571 0.679012
213 4UW 0.427184 0.731707
214 NXX 0.427184 0.725
215 TXD 0.427184 0.75
216 NAI 0.427184 0.707317
217 NAX 0.427184 0.682353
218 6V0 0.427184 0.719512
219 DND 0.427184 0.725
220 4YB 0.425743 0.630435
221 TAD 0.425743 0.690476
222 ARJ 0.424658 0.753623
223 LA8 ALF 3PG 0.423077 0.690476
224 TXE 0.423077 0.728395
225 ALF ADP 3PG 0.423077 0.690476
226 LAQ 0.421569 0.674419
227 ARG AMP 0.421569 0.686047
228 7MC 0.419048 0.697674
229 LPA AMP 0.417476 0.674419
230 AYB 0.416667 0.709302
231 CNA 0.416667 0.725
232 UP5 0.413462 0.716049
233 6CR 0.413333 0.783784
234 101 0.4125 0.696203
235 AV2 0.411111 0.6875
236 A A A 0.410526 0.74359
237 649 0.409524 0.617021
238 AF3 ADP 3PG 0.409524 0.690476
239 WSA 0.409524 0.651685
240 TYM 0.409524 0.725
241 COD 0.409091 0.732558
242 YLA 0.407407 0.678161
243 ADJ 0.407407 0.705882
244 T5A 0.407407 0.678161
245 4TC 0.40566 0.698795
246 UPA 0.40566 0.707317
247 AFX 0.405405 0.68
248 IVH 0.404762 0.769231
249 BS5 0.40367 0.62766
250 A4P 0.401869 0.662921
251 PLP AAD 0.401786 0.724138
252 NAD IBO 0.4 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QOX; Ligand: SAH; Similar sites found: 297
This union binding pocket(no: 1) in the query (biounit: 3qox.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VSE SAH 0.00001288 0.45228 1.25628
2 4N49 SAM 0.0003539 0.45542 1.40845
3 1LVL NAD 0.004032 0.41084 1.40845
4 3SSO SAH 0.0009228 0.43787 1.43198
5 5MPT SAH 0.00002162 0.51746 1.44928
6 2EG5 SAH 0.00008484 0.50799 1.6129
7 1X87 NAD 0.0004598 0.44283 1.64319
8 2BRY FAD 0.004298 0.41614 1.64319
9 3L9W AMP 0.000238 0.4134 1.69492
10 3L9W GSH 0.0006645 0.40773 1.69492
11 5GWX SAR 0.0006542 0.4208 1.76056
12 5GWX SAM 0.0006542 0.4208 1.76056
13 1R18 SAH 0.0000004471 0.57116 1.76211
14 3OU2 SAH 0.0001938 0.44616 1.83486
15 1BC5 SAH 0.0000319 0.48981 1.85874
16 2PT9 S4M 0.001118 0.41541 1.86916
17 2ZWA SAH 0.00005808 0.48379 1.87793
18 4C2C ALA ALA ALA 0.006472 0.42043 1.87793
19 4OEV OXL 0.02397 0.40908 1.87793
20 5FTW SAH 0.00005521 0.48944 1.95312
21 2XTZ GSP 0.0007895 0.42793 1.9774
22 5HJM MTA 0.000000774 0.57412 1.98864
23 3NUG NAD 0.004447 0.41301 2.02429
24 4TM3 FAD 0.02093 0.41166 2.11268
25 1KYZ SAH 0.0001141 0.48573 2.19178
26 1KYZ FER 0.001493 0.40173 2.19178
27 4ONQ SFG 0.000004351 0.54803 2.2409
28 5CUQ NSC 0.00009568 0.48459 2.24719
29 2UYQ SAM 0.0002332 0.51781 2.25806
30 2ATJ BHO 0.01112 0.42984 2.27273
31 3OFK SAH 0.002975 0.41311 2.31481
32 3G2O SAM 0.000009832 0.53248 2.34114
33 2EJU SAH 0.00002839 0.51226 2.38095
34 3TKY SAH 0.00005044 0.46663 2.44565
35 2DPM SAM 0.00001085 0.51391 2.46479
36 4PIO SAH 0.0001969 0.41802 2.47678
37 4PIO AVI 0.0003072 0.40393 2.47678
38 1NW5 SAM 0.00003449 0.50318 2.50784
39 5KVA SAM 0.00001719 0.50565 2.51799
40 1V59 NAD 0.0008894 0.46515 2.58216
41 4D42 W0I 0.01225 0.41174 2.58216
42 4D42 NAP 0.01225 0.41174 2.58216
43 3TLJ SAH 0.0000006471 0.55845 2.68097
44 1Q0S SAH 0.00001902 0.49119 2.7027
45 4XUC 43G 0.000002026 0.46964 2.75229
46 4XUC SAM 0.000002026 0.46964 2.75229
47 4FN4 NAD 0.0006263 0.4046 2.75591
48 3FRH SAH 0.0002913 0.45087 2.7668
49 1KPH SAH 0.0003603 0.45103 2.78746
50 1KPG SAH 0.0003684 0.45063 2.78746
51 2ZFU SAH 0.0001244 0.47456 2.7907
52 3G89 SAM 0.000006381 0.56069 2.81124
53 3O7W SAM 0.00006402 0.51372 2.8169
54 3M6W SAM 0.001039 0.45227 2.8169
55 2JJQ SAH 0.00006457 0.51355 2.82353
56 1SVK ALF GDP 0.0008056 0.40828 2.83286
57 3DMH SAM 0.000002783 0.54414 2.88714
58 3DMH GMP 0.000008735 0.4802 2.88714
59 1WY7 SAH 0.000002216 0.54243 2.89855
60 4YMH SAH 0.000001155 0.56024 2.91667
61 3BXO SAM 0.00001417 0.54443 2.92887
62 1XCL SAH 0.0001023 0.42565 2.97872
63 5DNK SAH 0.000004139 0.58518 3.05164
64 1SQF SAM 0.00005499 0.49965 3.05164
65 1ZGA SAH 0.0001368 0.49826 3.05164
66 3RKR NAP 0.004633 0.4352 3.05344
67 4BLW SAH 0.00006646 0.45618 3.11419
68 4BLW AMP 0.0001002 0.41385 3.11419
69 1BH2 GSP 0.0006059 0.41728 3.1746
70 5THY SAH 0.00002782 0.50199 3.20988
71 5THZ SAH 0.00003157 0.49 3.20988
72 1I9G SAM 0.00003729 0.49663 3.21429
73 5KOK SAH 0.000009597 0.52708 3.27456
74 1IM8 SAI 0.00001153 0.51812 3.27869
75 3E7W AMP 0.006911 0.41829 3.28639
76 4USR FAD 0.004965 0.41349 3.3241
77 5GM1 SAH 0.000006211 0.51863 3.367
78 4NEC SAH 0.000002706 0.57077 3.40909
79 3LST SAH 0.00001181 0.54815 3.44828
80 1TPY SAH 0.0003536 0.45136 3.48432
81 1P1C SAH 0.0004528 0.4431 3.51759
82 4C4A SAH 0.000001157 0.56661 3.52113
83 1XTP SAI 0.000008764 0.53468 3.54331
84 1RJD SAM 0.00002388 0.50479 3.59281
85 4TQG NDP 0.0007441 0.40839 3.71517
86 3GDH SAH 0.000000194 0.56831 3.73444
87 5E1M PRO PRO LYS ARG ILE ALA 0.000122 0.41301 3.73444
88 5E1M SAH 0.000122 0.41301 3.73444
89 4KRG SAH 0.000003049 0.56144 3.75587
90 5JJR SAH 0.00001354 0.52638 3.75587
91 3LAD FAD 0.005052 0.42277 3.75587
92 1G55 SAH 0.000001032 0.56875 3.79009
93 3C3Y SAH 0.00006291 0.49195 3.79747
94 5LOG SAH 0.00000614 0.53542 3.86266
95 4E70 N7I 0.0007528 0.40245 3.86598
96 2PWY SAH 0.000001924 0.53927 3.87597
97 3GCZ SAM 0.00003485 0.46473 3.90071
98 1I1N SAH 0.0000007987 0.56407 3.9823
99 2WA2 SAM 0.0001007 0.44204 3.98551
100 4D79 ATP 0.002368 0.42786 3.98551
101 3PT9 SAH 0.00000191 0.56373 3.99061
102 1ELI PYC 0.004224 0.42214 4.11311
103 1UAY ADN 0.000252 0.48581 4.13223
104 2XYQ SAH 0.0007758 0.44916 4.13793
105 2YX1 SFG 0.00002968 0.52938 4.16667
106 4KVG GTP 0.004015 0.40035 4.16667
107 5X62 SAH 0.00001067 0.53703 4.18719
108 3SQP FAD 0.04773 0.42061 4.22535
109 1G0N NDP 0.01148 0.40336 4.24028
110 1G0N PHH 0.01359 0.40302 4.24028
111 3LCC SAH 0.0000003436 0.60397 4.25532
112 2WK1 SAH 0.002304 0.4211 4.25532
113 1YXM ADE 0.0007186 0.48803 4.29043
114 4M37 SAH 0.000009728 0.52683 4.37318
115 4M38 SAH 0.00001139 0.51833 4.37318
116 3FIU POP 0.008357 0.43593 4.41767
117 5N5D SAM 0.000002125 0.5206 4.42478
118 1EJ0 SAM 0.0001113 0.4862 4.44444
119 3T7S SAM 0.000001257 0.5181 4.47761
120 2GDZ NAD 0.005666 0.4073 4.49438
121 4POO SAM 0.0003009 0.44453 4.5
122 2P41 SAH 0.00001764 0.52134 4.59016
123 5N53 8NB 0.01838 0.41578 4.61538
124 4OBW SAM 0.00009618 0.48898 4.66926
125 1JG3 ADN 0.000004177 0.54881 4.68085
126 1G60 SAM 0.00004156 0.4997 4.69484
127 1Y8Q ATP 0.001223 0.41968 4.69484
128 2ZIF SAM 0.000006173 0.53532 4.7138
129 1XHL NDP 0.001725 0.43165 4.7138
130 2WSB NAD 0.003779 0.42631 4.72441
131 3SJK LYS PRO VAL LEU ARG THR ALA 0.02265 0.41139 4.73684
132 3I53 SAH 0.00003508 0.49774 4.81928
133 4UCI SAM 0.00006219 0.49217 4.81928
134 4Y2H 49K 0.000007059 0.54333 4.82955
135 4Y2H SAH 0.000007148 0.5431 4.82955
136 3GEG NAD 0.0002993 0.42567 4.8583
137 3VYW SAM 0.0007756 0.44105 4.87013
138 3GU3 SAH 0.00001053 0.56524 4.92958
139 4AZT SAM 0.00006428 0.49667 4.92958
140 4AZW SAM 0.0001047 0.48243 4.92958
141 1NV8 SAM 0.000007681 0.47773 4.92958
142 1NV8 MEQ 0.00002877 0.46386 4.92958
143 3CW9 AMP 0.01023 0.40318 4.92958
144 3HVJ 705 0.000004624 0.54828 4.97738
145 1N2X SAM 0.00002319 0.49543 4.98339
146 3A25 SAM 0.0001317 0.48299 4.98339
147 2AE2 NAP 0.008752 0.41043 5
148 4DCM SAM 0.0002971 0.4772 5.06667
149 1J71 THR ILE THR SER 0.002755 0.45933 5.08982
150 1FP1 SAH 0.0000369 0.51874 5.10753
151 5GVR LMR 0.01055 0.42843 5.12821
152 3ICR FAD 0.00714 0.41124 5.16432
153 3ICT ADP 0.01917 0.40094 5.16432
154 1L1E SAH 0.0003171 0.45743 5.22648
155 3M1I GTP 0.002975 0.41318 5.2356
156 5BW4 SAM 0.00002402 0.52122 5.24345
157 4KIB SAH 0.0000001369 0.54693 5.32213
158 3EGI ADP 0.00002469 0.56281 5.33981
159 3DUW SAH 0.000001658 0.55988 5.38117
160 2JHP SAH 0.001669 0.43858 5.39906
161 3CX8 GSP 0.0005828 0.41733 5.41872
162 4FZV SAM 0.0000325 0.47853 5.43933
163 1SQL GUN 0.008506 0.43446 5.47945
164 5JGL SAM 0.00003069 0.51645 5.53633
165 4RDH AMP 0.001335 0.44726 5.55556
166 2HMT NAI 0.0009227 0.43414 5.55556
167 4RDI ATP 0.001834 0.43274 5.55556
168 3Q87 SAM 0.0001516 0.46237 5.6
169 3GJX GTP 0.004244 0.40684 5.6338
170 2Q28 ADP 0.006606 0.40494 5.6338
171 4M73 SAH 0.000002981 0.44968 5.63798
172 4M73 M72 0.000003615 0.44221 5.63798
173 2ODE ALF GDP 0.0006789 0.41551 5.67376
174 2VDV SAM 0.0000003784 0.61823 5.69106
175 2EFJ SAH 0.0001285 0.43917 5.72917
176 5E9W SAH 0.00009386 0.51204 5.76923
177 5E8J SAH 0.00007914 0.5094 5.76923
178 4CS9 AMP 0.01719 0.42019 5.82011
179 4KRI SAH 0.000005544 0.53152 5.86854
180 1F3L SAH 0.000001715 0.54702 5.919
181 3GXO SAH 0.0001325 0.49328 5.96206
182 3GWZ SAH 0.00009248 0.43407 5.96206
183 3X0D SAH 0.000003388 0.54653 6.10329
184 4LWP SAH 0.0000009491 0.52456 6.25
185 3FUU ADN 0.00001409 0.5199 6.27306
186 3HNB 768 0.04369 0.40564 6.28931
187 2NXE SAM 0.00001125 0.52992 6.29921
188 5E72 SAM 0.000005568 0.52589 6.33803
189 4DSU BZI 0.02998 0.40667 6.34921
190 4DMG SAM 0.00005906 0.5217 6.36132
191 1QZZ SAM 0.000026 0.53207 6.41711
192 3SBD GNP 0.003516 0.40256 6.41711
193 3JWH SAH 0.000002701 0.58601 6.45161
194 1QAN SAH 0.000002028 0.54402 6.55738
195 5DX8 SFG 0.000002245 0.53655 6.59026
196 5DXA SFG 0.00000411 0.5259 6.59026
197 5DX1 SFG 0.00000219 0.51904 6.59026
198 5DWQ SFG 0.000003966 0.51747 6.59026
199 5DX0 SFG 0.000003974 0.50954 6.59026
200 2FK8 SAM 0.0002778 0.45986 6.60377
201 5LFV SIA GAL NAG 0.03795 0.4054 6.62461
202 1ZQ9 SAM 0.0007953 0.44869 6.66667
203 1XDS SAM 0.00001286 0.54642 6.68449
204 2PX8 SAH 0.0003727 0.46314 6.69145
205 3EGV SAH 0.00001443 0.53115 6.80272
206 1OIX GDP 0.003753 0.40134 6.80628
207 4J1Q NDP 0.004988 0.40689 6.80751
208 5JE0 SAH 0.00007498 0.43123 6.88259
209 5JE0 AZ8 0.00007498 0.43123 6.88259
210 3CBG SAH 0.00001825 0.52658 6.89655
211 5F8F SFG 0.0002352 0.48185 6.89655
212 4IWN GEK 0.0000125 0.50631 6.9869
213 5UWT GNP 0.004359 0.40637 6.99301
214 5SZH GNP 0.002323 0.40548 7.18954
215 3A27 SAM 0.00004065 0.50541 7.35294
216 2HNK SAH 0.000004833 0.53404 7.53138
217 2WPB ZZI 0.02404 0.40786 7.56579
218 4BWL MN9 0.0361 0.4011 7.56579
219 1R6D NAD 0.004649 0.43295 7.71513
220 1R6D DAU 0.007627 0.42252 7.71513
221 2UZI GTP 0.004107 0.40587 7.83133
222 1IK4 PGH 0.01795 0.40232 7.89474
223 1ZC3 GNP 0.00207 0.40632 7.9646
224 3EVG SAH 0.00001614 0.52303 8
225 3NKV GNP 0.002449 0.40873 8
226 3GRU AMP 0.00001888 0.49906 8.13559
227 1AZT GSP 0.0004075 0.42351 8.20895
228 3MQ2 SAH 0.00007361 0.4994 8.25688
229 1VE3 SAM 0.000003059 0.55475 8.37004
230 2PXX SAH 0.00007683 0.48822 8.37209
231 2A14 SAH 0.0003621 0.45094 8.74525
232 3TKA SAM 0.0003004 0.45843 8.93372
233 1WS5 MMA 0.003153 0.44907 9.02256
234 1UGY GLA BGC 0.007303 0.42618 9.02256
235 1WS4 AMG 0.009607 0.41599 9.02256
236 1UGY GLA GLC 0.01262 0.40465 9.02256
237 1JAC AMG 0.01562 0.40103 9.02256
238 1Z3C SA8 0.0001494 0.4279 9.0604
239 4YJK URA 0.03637 0.4013 9.12698
240 5XVK SAH 0.0002599 0.45288 9.15493
241 5XVQ SAH 0.0004625 0.44273 9.15493
242 2XVM SAH 0.00003893 0.44245 9.54774
243 4PNE SAH 0.00001494 0.50317 9.60265
244 3LCV SAM 0.00003423 0.48857 9.60854
245 1VG8 GNP 0.002773 0.40235 9.66184
246 5K7U SAM 0.001916 0.4319 9.77778
247 1DL5 SAH 0.000003145 0.50679 9.77918
248 1WG8 SAM 0.00001305 0.50775 9.82456
249 3H2B SAH 0.000003538 0.54572 9.85222
250 1CS4 GSP 0.0003205 0.43215 9.90566
251 1LSS NAD 0.0002912 0.45899 10
252 3FZG SAM 0.003332 0.42904 10
253 4EAX S12 0.03116 0.40038 10
254 3DXY SAM 0.00004576 0.52702 10.0917
255 3A4T SFG 0.000009207 0.51686 10.219
256 4LHW GNP 0.003697 0.40166 10.3448
257 5IL1 SAM 0.001189 0.44101 10.3774
258 3S1S SAH 0.0001122 0.46766 10.5634
259 1O5I NAD 0.008436 0.40036 10.8434
260 4R6W SAH 0.0000241 0.44087 10.8527
261 1NME 159 0.01204 0.43473 10.9589
262 3P2E SAH 0.000427 0.45198 11.1111
263 5FA5 MTA 0.000004537 0.56048 11.2676
264 4GQB 0XU 0.000003866 0.51774 11.2676
265 4X60 SFG 0.00001774 0.4127 11.2676
266 4X60 3XV 0.00001906 0.40787 11.2676
267 3VC1 SAH 0.00004514 0.4837 11.5385
268 3VC1 GST 0.0001338 0.40299 11.5385
269 4A6D SAM 0.00009086 0.48508 12.1813
270 4II2 ATP 0.004366 0.40938 12.2699
271 5XLX SAH 0.003748 0.41909 13.1206
272 1FQK GDP 0.005863 0.4009 13.2308
273 1TAD ALF 0.0008316 0.412 13.2716
274 1TAD GDP 0.0008316 0.412 13.2716
275 2AOT SAH 0.0001756 0.42974 13.6986
276 1JQD SAH 0.0009206 0.40371 13.6986
277 1UAD GNP 0.002695 0.40666 13.7143
278 3LKZ SFG 0.00003009 0.50573 14.3302
279 5DM1 SAH 0.00003261 0.41287 14.6067
280 5DM1 5D7 0.00003505 0.40809 14.6067
281 2F5Z FAD 0.008904 0.4129 15.625
282 5ULP KB1 0.000007828 0.50596 16.0448
283 3H8V ATP 0.0004391 0.46002 17.4658
284 2BZG SAH 0.0000984 0.48855 17.6724
285 3VPB GLU 0.02534 0.40802 17.8571
286 5L95 AMP 0.0006702 0.44775 18.2796
287 4QTU SAM 0.000003927 0.54378 18.5185
288 3MB5 SAM 0.00000585 0.51968 18.8235
289 5M58 SAH 0.000005721 0.53674 19.1304
290 3BGD SAH 0.0002615 0.45277 20.7692
291 3BGD PM6 0.0005353 0.41676 20.7692
292 5MGZ SAH 0.000002244 0.55423 22.8814
293 1GRN AF3 0.02364 0.40824 26.178
294 2NGR AF3 0.03241 0.40105 26.178
295 2FFQ GSP 0.00348 0.41038 28.0702
296 1L3I SAH 0.000033 0.4692 36.4583
297 5FA8 SAM 0.000000002706 0.65489 37.8882
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