Receptor
PDB id Resolution Class Description Source Keywords
4BCQ 2.4 Å EC: 2.7.11.22 STRUCTURE OF CDK2 IN COMPLEX WITH CYCLIN A AND A 2-AMINO-4- HETEROARYL-PYRIMIDINE INHIBITOR HOMO SAPIENS TRANSFERASE-CELL CYCLE COMPLEX CDK-CYCLIN COMPLEX CYCLIN ACYCLIN- DEPENDENT KINASE 2 STRUCTURE-BASED DRUG DESIGN
Ref.: COMPARATIVE STRUCTURAL AND FUNCTIONAL STUDIES OF 4-(THIAZOL- 5-YL)-2-(PHENYLAMINO)PYRIMIDINE-5-CARBO CDK9 INHIBITORS SUGGEST THE BASIS FOR ISOTYPE SELEC J.MED.CHEM. V. 56 660 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TJF A:1296;
C:1295;
Valid;
Valid;
none;
none;
Ki = 0.147 uM
435.502 C21 H21 N7 O2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BCQ 2.4 Å EC: 2.7.11.22 STRUCTURE OF CDK2 IN COMPLEX WITH CYCLIN A AND A 2-AMINO-4- HETEROARYL-PYRIMIDINE INHIBITOR HOMO SAPIENS TRANSFERASE-CELL CYCLE COMPLEX CDK-CYCLIN COMPLEX CYCLIN ACYCLIN- DEPENDENT KINASE 2 STRUCTURE-BASED DRUG DESIGN
Ref.: COMPARATIVE STRUCTURAL AND FUNCTIONAL STUDIES OF 4-(THIAZOL- 5-YL)-2-(PHENYLAMINO)PYRIMIDINE-5-CARBO CDK9 INHIBITORS SUGGEST THE BASIS FOR ISOTYPE SELEC J.MED.CHEM. V. 56 660 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4BCQ Ki = 0.147 uM TJF C21 H21 N7 O2 S Cc1c(sc(n1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4BCQ Ki = 0.147 uM TJF C21 H21 N7 O2 S Cc1c(sc(n1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4BCN Ki = 0.012 uM T9N C16 H14 N6 O S Cc1c(sc(n1....
2 4BCM Ki = 0.123 uM T7Z C21 H23 N7 O3 S2 Cc1ccc(cc1....
3 5LQF - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
4 4Y72 ic50 = 10 nM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
5 5HQ0 ic50 = 10 nM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
6 4BCQ Ki = 0.147 uM TJF C21 H21 N7 O2 S Cc1c(sc(n1....
7 5LMK - 6ZK C25 H19 Br N6 O c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TJF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TJF 1 1
2 T9N 0.606383 0.614286
3 T6Q 0.576577 0.852941
4 T3C 0.526786 0.757143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BCQ; Ligand: TJF; Similar sites found: 305
This union binding pocket(no: 1) in the query (biounit: 4bcq.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZGP ADP 0.00289 0.4005 2.29008
2 2ZAT NAP 0.02977 0.40303 2.30769
3 5GZ9 ANP 0.00000031 0.63788 2.32558
4 3OJF NDP 0.01102 0.43083 2.33463
5 3AKK ADP 0.009608 0.41271 2.67176
6 3PN1 IVH 0.0008321 0.43759 3.05344
7 3DNT ATP 0.008089 0.42325 3.05344
8 5COU ATP 0.001287 0.45041 3.32226
9 2VPQ ANP 0.001142 0.46332 3.43511
10 4GYI ADP 0.0003616 0.45927 3.43511
11 3WO0 ALA 0.006382 0.44415 3.65448
12 3NUG NAD 0.01858 0.41467 3.65448
13 4HVA 4HV 0.02909 0.40111 3.77358
14 3PDT ADP 0.0007721 0.43774 3.81679
15 4CC6 L5Y 0.00482 0.4208 3.81679
16 3UDZ ADP 0.0007646 0.46576 3.98671
17 1I7E IBS 0.01089 0.41146 4.15094
18 1U3D FAD 0.007813 0.42991 4.19847
19 4U98 ACP 0.0008788 0.4266 4.19847
20 4PZ6 GMP 0.00009997 0.45403 4.31894
21 3RSC TYD 0.01461 0.40738 4.31894
22 3IAA TYD 0.01582 0.40222 4.31894
23 5I35 ANP 0.000007983 0.50656 4.58015
24 2IF8 ADP 0.001092 0.45764 4.58015
25 5IGI GMP 0.005401 0.44677 4.58015
26 5IGI ZIT 0.005677 0.44677 4.58015
27 2DTX BMA 0.03476 0.40877 4.58015
28 4OUC 5ID 0.000002086 0.57998 4.65116
29 4OCJ NDG 0.00002347 0.56944 4.65116
30 2R7K AMZ 0.006998 0.43231 4.65116
31 2WYV NAD 0.01035 0.42638 4.98084
32 4OCV ANP 0.00003667 0.52931 4.98339
33 2PYW ADP 0.00008426 0.44431 4.98339
34 5MW8 ATP 0.0008338 0.47001 5.34351
35 3HAV ATP 0.001277 0.42417 5.35117
36 2GQR ADP 0.01236 0.40354 5.48523
37 1GSA ADP 0.0001182 0.51155 5.64784
38 5VZ0 ADP 0.0005004 0.46995 5.72519
39 5NCY 8TK 0.00007402 0.40329 5.72519
40 3TII ANP 0.005255 0.41428 5.98007
41 4ANW O92 0.000007441 0.58678 6.10687
42 1PK8 ATP 0.00008619 0.41604 6.31229
43 3X01 AMP 0.002273 0.44405 6.48855
44 5C1P ADP 0.001169 0.43629 6.48855
45 5TDF ADP 0.006944 0.4214 6.64452
46 3ETH ATP 0.01228 0.41106 6.64452
47 4D42 W0I 0.01263 0.44046 6.73759
48 4D42 NAP 0.01263 0.44046 6.73759
49 3VPD ANP 0.001183 0.46067 6.76157
50 1S68 AMP 0.0005841 0.44552 6.82731
51 1M0W ANP 0.003531 0.42727 6.87023
52 4AZW ATP 0.000358 0.48385 6.97674
53 4AZT LY2 0.004116 0.41924 6.97674
54 3T1A 5MA 0.01483 0.40358 6.97674
55 3TY5 ADP 0.00376 0.42598 7.25191
56 3TY5 ATP 0.006299 0.4106 7.25191
57 3O7B SAH 0.01211 0.40784 7.37705
58 1IA9 ANP 0.00009457 0.44757 7.63359
59 1I7L ATP 0.0001976 0.41312 7.63359
60 2BJU IH4 0.02354 0.40578 7.63359
61 2HGS ADP 0.003982 0.43674 7.6412
62 2BKK ADP 0.0009121 0.45251 7.69231
63 4LRJ ANP 0.001627 0.41647 7.69231
64 4O1P ANP 0.0000002324 0.63199 8.30565
65 2PD4 NAD 0.005045 0.44829 8.36364
66 2PD4 DCN 0.005053 0.44825 8.36364
67 1E4E ADP 0.008189 0.41607 8.39695
68 4FC7 NAP 0.01182 0.43614 8.77863
69 4FC7 COA 0.01182 0.43614 8.77863
70 1CKM GTP 0.001087 0.40172 8.77863
71 1AUX AGS 0.00005922 0.46432 8.9701
72 3AIA SAM 0.006202 0.41786 9.00474
73 1IOW PHY 0.001562 0.47193 9.16031
74 3I0O ADP 0.0005836 0.45882 9.16031
75 4Q5H ANP 0.001296 0.41546 9.21053
76 1W2D ADP 0.001212 0.44402 9.43396
77 5DMZ ADP 0.0000031 0.51038 9.54198
78 4ZS4 ATP 0.0002863 0.43243 9.54198
79 2AQX ATP 0.01591 0.40555 9.54198
80 3WVR AMP 0.0006886 0.46087 9.92366
81 3VPB ADP 0.00004812 0.42054 9.92908
82 3VPC ADP 0.0002946 0.41532 9.92908
83 4AUT FAD 0.03171 0.40996 9.96678
84 1ZTH ADP 0.00004437 0.51098 10.4651
85 1ZP9 ATP 0.00006469 0.50945 10.4651
86 1I8T FAD 0.0447 0.40299 10.6312
87 3RE4 TO1 0.00002324 0.52407 10.8527
88 3TDV GDP 0.000916 0.4224 10.9635
89 1TQP ATP 0.0003408 0.40368 10.9929
90 2QK4 ATP 0.0005532 0.45257 11.2957
91 4XYM A12 0.001796 0.40107 11.3043
92 5DZT AMP 0.001894 0.44742 11.4504
93 1T36 ADP 0.01262 0.41808 11.6279
94 5IQD GNP 0.001388 0.47706 11.9601
95 5IQD RIO 0.001466 0.47706 11.9601
96 3VOT ADP 0.0004618 0.46355 12.2137
97 5CKW ANP 0.00002968 0.51912 12.6246
98 3SJK LYS PRO VAL LEU ARG THR ALA 0.002159 0.44903 13.1579
99 1RBL CAP 0.02074 0.40149 13.7615
100 4R78 AMP 0.000002332 0.57951 14.6179
101 5K2M ADP 0.0006274 0.47794 15.0943
102 4UWH JXM 0.0002467 0.45687 16.7939
103 2PUL ACP 0.00004885 0.47445 16.9435
104 4WW7 AMP 0.00001759 0.5497 17.1123
105 4DFU QUE 0.007822 0.41551 18.0124
106 4K81 GTP 0.02707 0.40141 18.1287
107 5C4L 4XR 0.0006686 0.48647 18.3801
108 5C4L SIS 0.01429 0.41927 18.3801
109 4OAV ACP 0.0000005453 0.61098 18.6047
110 5M06 ADP 0.0000798 0.4792 19.9275
111 4CYI ATP 0.00005799 0.52215 19.9336
112 5FI4 5XV 0.002373 0.44951 22.1374
113 3LQV ADE 0.006492 0.42416 23.0769
114 3Q60 ATP 0.0003452 0.47763 23.9203
115 4BTK DTQ 0.000006274 0.56344 24.2525
116 4WOV 3SM 0.0001286 0.47886 24.5847
117 5VC5 96M 0.0000004036 0.47947 24.9135
118 4NFN 2KC 0.00003195 0.48388 25.2492
119 5W4W 9WG 0.0000009357 0.44165 25.2492
120 4KBA 1QM 0.00001314 0.43065 25.2492
121 5KO1 6UY 0.00000199 0.52887 25.4417
122 3VHE 42Q 0.00003359 0.40522 25.9136
123 5C03 AGS 0.00001199 0.48848 26.2458
124 4XH0 ADP 0.00004595 0.52883 28.5714
125 2CSN CKI 0.00000004635 0.6865 29.2929
126 4IX4 ADP 0.0000004197 0.62583 29.5681
127 4Y0X ADP 0.000008272 0.52023 30.2326
128 3H9R TAK 0.00006574 0.49429 30.2326
129 4EUU BX7 0.000001486 0.61177 30.897
130 4IDT T28 0.00000006753 0.59036 30.897
131 3KRL KRL 0.000003052 0.58673 30.897
132 4FL3 ANP 0.000000465 0.51881 31.2292
133 3PP0 03Q 0.000001578 0.46162 31.5615
134 3KMW ATP 0.0000182 0.4937 31.7343
135 5T8O 76Z 0.00000007622 0.54596 32.2259
136 2OO8 RAJ 0.0001373 0.50623 32.2259
137 4P5Z Q7M 0.000002381 0.40258 32.2259
138 5JFS 6K0 0.00000008232 0.69931 32.5581
139 4YMJ 4EJ 0.0000001059 0.66366 32.5581
140 4UAL 3FV 0.00000007344 0.65595 32.5581
141 4E93 GUI 0.00000005145 0.46928 32.5581
142 4Y93 746 0.00003202 0.43191 32.5581
143 5CEO 50D 0.00001402 0.54671 32.6667
144 1U59 STU 0.0000002753 0.55614 32.7526
145 4CLI 5P8 0.000001674 0.63613 32.8904
146 3UIM ANP 0.000000493 0.61634 32.8904
147 2R5T ANP 0.00001242 0.46942 32.8904
148 5EOB 5QQ 0.000001728 0.64723 33.2226
149 3DLS ADP 0.0000002765 0.62148 33.2226
150 3NW7 LGV 0.00009176 0.5478 33.2226
151 4Y8D 49J 0.0000008619 0.53705 33.2226
152 1VJY 460 0.00000007241 0.46428 33.2226
153 3C1X CKK 0.00001679 0.45867 33.2226
154 1K3A ACP 0.000006077 0.55472 33.4448
155 4U44 3D9 0.000001414 0.59443 33.5548
156 4FF8 14S 0.00002216 0.52503 33.5548
157 3LXK MI1 0.000000174 0.48488 33.5548
158 1JPA ANP 0.0000000366 0.4818 33.5548
159 4AT3 LTI 0.0000002076 0.46214 33.7793
160 4YZN 4K5 0.00000003344 0.54207 33.7979
161 5TA6 79D 0.000001151 0.4644 33.7989
162 2F2U M77 0.00000001914 0.66782 33.887
163 2XVD AS6 0.0000006561 0.63392 33.887
164 5UIU 8CG 0.0000008087 0.6315 33.887
165 2X2M X2M 0.000001197 0.60653 33.887
166 2QLU ADE 0.000003812 0.58673 33.887
167 5NKB 8ZT 0.0000000847 0.42278 33.887
168 4I94 ANP 0.00001699 0.53988 34
169 4GJ3 0XP 0.00000005778 0.69134 34.2193
170 5LPZ ADP 0.000000005924 0.61828 34.2193
171 5HES 032 0.000001158 0.60723 34.2193
172 4OH4 ANP 0.00000003686 0.58996 34.2193
173 5HX8 66P 0.0000001137 0.4973 34.2193
174 3TKI S25 0.0000002083 0.69488 34.5515
175 3LXN MI1 0.00000009796 0.65644 34.5515
176 1U5R ATP 0.0000001266 0.57946 34.5515
177 4X7Q 3YR 0.00000006038 0.57884 34.5515
178 5AX9 4KT 0.00000009747 0.57271 34.5515
179 2HY0 306 0.00002394 0.51216 34.5515
180 2Y6O 1N1 0.00000402 0.48343 34.7079
181 5LPB ADP 0.00000005951 0.64486 34.7973
182 5U6C 7YS 0.00000000405 0.5832 34.8837
183 5MJA 7O3 0.00001483 0.5397 34.8837
184 3KRR DQX 0.0000002913 0.69796 34.9153
185 3SRV S19 0.00000009122 0.64794 35.0181
186 4G17 0VN 0.000001229 0.59085 35.2159
187 3V8S 0HD 0.000008231 0.55487 35.2159
188 5JGA 6KC 0.0000003464 0.4447 35.2159
189 4XLI 1N1 0.0000008695 0.54592 35.4478
190 5TO8 7FM 0.0000001607 0.42332 35.461
191 4F4P 0SB 0.000001208 0.66018 35.5311
192 3BU5 ATP 0.0000001677 0.63878 35.5482
193 3EKK GS2 0.0000001155 0.44104 35.5482
194 4E1Z 0MX 0.000001074 0.49079 35.7388
195 1ZY5 ANP 0.000008929 0.55319 35.8804
196 5HVJ ANP 0.00000004308 0.68814 36.2126
197 3SLS ANP 0.000001126 0.50253 36.2126
198 3PLS ANP 0.00000001173 0.69034 36.2416
199 4EWH T77 0.000001963 0.4566 36.3636
200 3CY2 MB9 0.000000007834 0.56033 36.5448
201 4QMN DB8 0.00000009042 0.44169 36.5448
202 5USZ SKE 0.0000004123 0.4713 36.6782
203 1BYG STU 0.0000001771 0.63063 36.6906
204 1RE8 BD2 0.0000002354 0.68365 36.8771
205 1Y57 MPZ 0.00000005311 0.67538 36.8771
206 3FHI ANP 0.000000238 0.65125 36.8771
207 3RI1 3RH 0.0000002475 0.6504 36.8771
208 2QCS ANP 0.0000003295 0.64423 36.8771
209 2H8H H8H 0.0000004244 0.61946 36.8771
210 2PVF ACP 0.0000001383 0.57838 36.8771
211 5LI1 ANP 0.00000004323 0.54451 36.8771
212 4U0I 0LI 0.00007795 0.53353 36.8771
213 3IDB ANP 0.0000001319 0.51785 36.8771
214 2PZI AXX 0.0001815 0.4728 36.8771
215 2WQN ADP 0.0004621 0.45395 36.8771
216 4K33 ACP 0.0000005482 0.61725 37.2093
217 4WB7 ATP 0.0000006383 0.41885 37.2093
218 5FBN 5WF 0.000001477 0.62603 37.2694
219 4WB6 ATP 0.0000002564 0.64964 37.5415
220 3ORK AGS 0.00008589 0.42391 37.5415
221 1OPK P16 0.000006628 0.41701 37.8738
222 4A4X JUP 0.0000001183 0.49561 37.9928
223 5MY8 RXZ 0.00001452 0.44053 38.206
224 2A19 ANP 0.0000004349 0.6046 38.3803
225 5UR1 YY9 0.0000005368 0.66037 38.5382
226 3GQI ACP 0.000000181 0.55974 38.5382
227 3G5D 1N1 0.0000003403 0.6861 38.8112
228 5JKG 6LF 0.00003383 0.56126 38.8704
229 4NW6 2NS 0.00000003764 0.46916 38.8704
230 3M2W L8I 0.00000009196 0.64018 39.1304
231 2Z7R STU 0.000000002713 0.58494 39.2027
232 3FHR P4O 0.000002962 0.50256 39.2027
233 4Y85 499 0.0000461 0.48187 39.2027
234 3GNI ATP 0.00001052 0.47468 39.2027
235 5H2U 1N1 0.00001564 0.49149 39.7004
236 4ASE AV9 0.00003577 0.54517 39.8671
237 4OTH DRN 0.0000002075 0.52765 39.8671
238 5DA3 58V 0.00001041 0.54033 40
239 4WNP 3RJ 0.0000000009675 0.70504 40.4181
240 4XV1 904 0.00000009021 0.68585 40.7534
241 5VCV 1N1 0.00000002043 0.53812 40.8638
242 4I6H 1C8 0.000009869 0.49678 40.8638
243 4M69 ANP 0.00001156 0.55608 41.196
244 4L9I 8PR 0.0009298 0.42884 41.5282
245 4BHN BH9 0.0000001382 0.54192 41.8605
246 3VRY B43 0.000005177 0.45479 41.8605
247 2OFV 242 0.0000004692 0.65326 41.8773
248 4TWP AXI 0.00000004031 0.40904 42.0664
249 5N87 N66 0.000000171 0.44336 42.1927
250 3HMO STU 0.0000001263 0.57927 42.5249
251 4FG8 ATP 0.00001661 0.46999 42.5249
252 4CQE CQE 0.0000001521 0.52401 42.8058
253 3ALN ANP 0.0000007653 0.51661 42.8571
254 4YZC STU 0.000000005237 0.75518 43.1894
255 5IH9 6BF 0.0000002027 0.6719 43.1894
256 5LVP ATP 0.000004748 0.55975 43.5216
257 4BKJ STI 0.00008597 0.41458 43.5216
258 4CSV STI 0.000006055 0.45772 43.6364
259 4D2S DYK 0.0000002778 0.59624 43.662
260 5JZJ AN2 0.00000005093 0.59402 43.771
261 3KN5 ANP 0.0000003324 0.61398 43.8538
262 2V7O DRN 0.00000004334 0.63722 44.186
263 4JR7 GNP 0.0000002169 0.5559 44.186
264 2VZ6 FEF 0.000002656 0.55462 44.5183
265 4JDI ANP 0.0000005249 0.51943 44.5183
266 4DC2 ADE 0.000002805 0.51216 44.5183
267 3MVH WFE 0.0000002188 0.4624 44.5183
268 5LI9 ACP 0.00004399 0.46046 44.5183
269 4BFM ANP 0.0000001184 0.65245 44.8505
270 2VN9 GVD 0.0000008504 0.57887 44.8505
271 2WEL K88 0.000001367 0.5453 44.8505
272 5UKL SIX 0.0002265 0.50522 44.8505
273 4KS7 X4Z 0.00000009198 0.52197 44.863
274 2F57 23D 0.000005441 0.56029 45.1827
275 2X4Z X4Z 0.000000436 0.65303 45.2703
276 5UOX 8GY 0.00000008372 0.53857 45.7565
277 2XK9 XK9 0.00000007725 0.69331 45.8472
278 4WNK 453 0.000003883 0.43409 45.8472
279 1XJD STU 0.000000006963 0.59628 46.1794
280 5DBX ANP 0.0001036 0.49688 46.1794
281 3DAK ANP 0.000001703 0.5477 46.2069
282 3GGF GVD 0.0000003408 0.57964 46.5116
283 2HK5 1BM 0.0000008358 0.61134 46.6667
284 3AQV TAK 0.000007406 0.55999 46.7391
285 2J7T 274 0.0000001882 0.66331 46.8439
286 4F9C 0SX 0.00000291 0.57636 46.8439
287 1PHK ATP 0.00000001776 0.689 47.3154
288 4L3L 5FI 0.00000009148 0.67904 47.5083
289 1Q8Y ADP 0.00000004146 0.67453 47.5083
290 2YAB AMP 0.000007026 0.56388 47.5083
291 1Q8Y ADE 0.000005114 0.54477 47.5083
292 2ZV2 609 0.000003056 0.56513 47.651
293 3TXO 07U 0.0000005683 0.60668 47.8405
294 3C0G 3AM 0.000001567 0.56274 48.1728
295 3SXS PP2 0.00004104 0.45487 48.5075
296 5X8I SQZ 0.00000008677 0.57124 48.8372
297 4USF 6UI 0.00001113 0.56406 48.8372
298 3SXF BK5 0.00002454 0.56385 48.8372
299 3IGO ANP 0.00003071 0.45135 48.8372
300 5DEY 59T 0.0000001725 0.42956 49.1582
301 4IJP 1EH 0.000000003321 0.72764 49.1694
302 2WU6 DKI 0.00000001664 0.5546 49.1694
303 2YAK OSV 0.000001126 0.62428 49.8246
304 5DH3 5BS 0.0000003875 0.52659 49.8339
305 3HZT J60 0.00003565 0.51541 49.8339
Pocket No.: 2; Query (leader) PDB : 4BCQ; Ligand: TJF; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 4bcq.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FMU 0UM 0.01865 0.40779 1.9084
2 2R85 AMP 0.03181 0.40529 2.99003
3 3H4V NAP 0.03874 0.41165 3.05344
4 3H4V DVP 0.0417 0.41075 3.05344
5 2V0C LEU LMS 0.02418 0.40358 3.32226
6 2YRX AMP 0.005891 0.40392 3.65448
7 1MZC BNE 0.04785 0.41349 3.9267
8 3F4F UMP 0.01385 0.40537 4.19162
9 2CFM AMP 0.001256 0.43716 4.19847
10 5JFT ACE ASP GLU VAL ASP 0QE 0.007294 0.41904 5.22088
11 3WV1 WHH 0.04074 0.41292 5.26316
12 4LH7 1X8 0.002143 0.44249 5.64784
13 1OBD ATP 0.008953 0.41028 5.72519
14 1QM5 PLP 0.04497 0.41056 6.10687
15 1QM5 GLC GLC GLC PO4 SGC GLC 0.03525 0.40731 6.10687
16 2TPS TPS 0.01955 0.41117 6.1674
17 1DQX BMP 0.01644 0.41057 6.36704
18 1EHI ADP 0.0009092 0.40691 6.87023
19 4IZC 1GZ 0.02307 0.41492 6.90909
20 1NY5 ADP 0.01239 0.40972 7.30897
21 2QF7 AGS 0.02062 0.41134 7.63359
22 3W0O HY0 0.00000825 0.41645 8.30565
23 3W0O ADP 0.00000825 0.41645 8.30565
24 1CKN GTP 0.005354 0.41598 8.77863
25 2PZM UDP 0.02403 0.42462 9.16031
26 2PZM NAD 0.02403 0.42462 9.16031
27 4RDL FUC GAL NDG FUC 0.007621 0.41762 9.92366
28 3OIG NAD 0.03305 0.40201 9.92366
29 3ZS7 ATP 0.009257 0.42316 11.0687
30 3PVW QRX 0.0001019 0.41115 45.1827
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