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Receptor
PDB id Resolution Class Description Source Keywords
2YOH 1.6 Å EC: 2.7.4.9 PLASMODIUM FALCIPARUM THYMIDYLATE KINASE IN COMPLEX WITH A UREA-ALPHA-DEOXYTHYMIDINE INHIBITOR PLASMODIUM FALCIPARUM TRANSFERASE MALARIA INHIBITOR
Ref.: SYNTHESIS AND EVALUATION OF ALPHA-THYMIDINE ANALOGU NOVEL ANTIMALARIALS. J.MED.CHEM. V. 55 10948 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WMJ A:211;
B:211;
Valid;
Valid;
none;
none;
Ki = 11 uM
405.362 C17 H19 N5 O7 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YOH 1.6 Å EC: 2.7.4.9 PLASMODIUM FALCIPARUM THYMIDYLATE KINASE IN COMPLEX WITH A UREA-ALPHA-DEOXYTHYMIDINE INHIBITOR PLASMODIUM FALCIPARUM TRANSFERASE MALARIA INHIBITOR
Ref.: SYNTHESIS AND EVALUATION OF ALPHA-THYMIDINE ANALOGU NOVEL ANTIMALARIALS. J.MED.CHEM. V. 55 10948 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
50% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
5 2V54 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
6 4QGF ic50 = 69 nM 32B C27 H30 Cl N3 O6 CC[C@H](c1....
7 4QG7 ic50 = 10 nM 32K C25 H26 Cl N3 O6 CC1=CN(C(=....
8 4QGH ic50 = 1 nM 32E C28 H31 Cl F N3 O5 CC1=CN(C(=....
9 4GFD Ki = 330 pM 0YB C29 H34 Br N3 O5 CC1=CN(C(=....
10 2CCJ - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 2CCG - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4HDC ic50 = 1.2 nM 13Y C28 H32 Cl N3 O5 CC1=CN(C(=....
13 4HEJ ic50 = 24000 nM 14D C24 H24 F3 N3 O3 CC1=CN(C(=....
14 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
15 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
16 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
17 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
18 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
19 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
21 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
23 1E2E - AF3 Al F3 F[Al](F)F
24 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
26 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
27 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
30 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
31 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
32 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
34 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
35 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
36 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
37 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
38 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
39 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
40 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5X8C - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
42 5ZB4 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5ZAX - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 5X86 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
45 5X8B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
47 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
48 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
52 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
53 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
54 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: WMJ; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 WMJ 1 1
2 LLT 0.525 0.78481
3 THM 0.525 0.78481
4 0DN 0.512195 0.75
5 74W 0.5 0.764045
6 74X 0.5 0.764045
7 TMP 0.477778 0.75
8 TXS 0.466667 0.756098
9 T3S 0.456522 0.777778
10 TYD 0.452632 0.761905
11 TBD 0.443299 0.755814
12 2JW 0.438095 0.835294
13 TTP 0.42 0.761905
14 AZZ 0.408602 0.8125
15 T3P 0.402174 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YOH; Ligand: WMJ; Similar sites found with APoc: 530
This union binding pocket(no: 1) in the query (biounit: 2yoh.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 3B7G ANP None
3 1ZUI SKM None
4 1KAO GDP None
5 2EW1 GNP None
6 3KPE TM3 None
7 4WOP CTP None
8 4U5X GNP 1.1236
9 1S8F GDP 1.12994
10 1BG2 ADP 1.42857
11 1G3Q ADP 1.42857
12 1U0J ADP 1.42857
13 4DDY DN6 1.42857
14 1KY3 GDP 1.64835
15 2WIC GNP 1.90476
16 6AIC AMP 1.90476
17 2XTN GTP 1.90476
18 2A5J GDP 2.09424
19 5KUT GDP 2.1164
20 4U00 ADP 2.38095
21 3H4S ADP 2.38095
22 4FRZ ADP 2.38095
23 4LPS GDP 2.38095
24 5WC2 ADP 2.38095
25 3IO3 ADP 2.38095
26 3HQ9 OXL 2.38095
27 1UKZ ADP 2.46305
28 3ZVS MLI 2.5
29 5XKT GNP 2.5
30 1Z83 AP5 2.55102
31 1XX6 ADP 2.6178
32 6BSX GDP 2.80899
33 3LRE ADP 2.85714
34 6A20 ADP 2.85714
35 5ZXD ATP 2.85714
36 3NHB ADP 2.85714
37 2PL3 ADP 2.85714
38 1D2E GDP 2.85714
39 1DAR GDP 2.85714
40 4P4T GDP 2.85714
41 4KVA GTP 2.85714
42 1G6O ADP 2.85714
43 1FP6 ADP 2.85714
44 2DPY ADP 2.85714
45 5NM7 GLY 2.85714
46 5ZBR ANP 2.85714
47 5Z69 AGS 2.85714
48 1OBD ATP 2.85714
49 2X7I CIT 2.85714
50 2ZPA ADP 2.85714
51 4GBM A3P 2.85714
52 5H4S RAM 2.85714
53 4QM7 GTP 2.92398
54 2B8W ALF 5GP 3.04878
55 1SVI GDP 3.07692
56 1VC9 ATP 3.1746
57 4J0Q GDP 3.33333
58 2GDJ ANP 3.33333
59 5BN3 ADP 3.33333
60 5E5U MLI 3.33333
61 4ZDJ UTP 3.33333
62 5IRN ADP 3.33333
63 3IUY AMP 3.33333
64 2ZTS ADP 3.33333
65 2FAH GDP 3.33333
66 1DNP MHF 3.33333
67 2FNA ADP 3.33333
68 3A9B BGC 3.33333
69 4FCW ADP 3.33333
70 5M7P ADP 3.33333
71 3W5J GDP 3.43137
72 1I4D GDP 3.64583
73 1DS6 GDP 3.64583
74 2NGR GDP 3.66492
75 1A4R GNH 3.66492
76 1A4R GDP 3.66492
77 1GRN GDP 3.66492
78 2KIN ADP 3.80952
79 5M04 GDP 3.80952
80 4KFU ACP 3.80952
81 1MKY GDP 3.80952
82 1VHT BA3 3.80952
83 1SKQ GDP 3.80952
84 3WY9 GDP 3.80952
85 3WYA GDP 3.80952
86 4DKX GDP 3.80952
87 4B47 GDP 3.80952
88 3BOS CDP 3.80952
89 1G7C 5GP 3.80952
90 3DEF GDP 3.80952
91 1P72 ADP 3.80952
92 5LB3 ADP 3.80952
93 4R43 GDP 3.80952
94 4R2I ANP 3.80952
95 1P72 THM 3.80952
96 4TTQ ATP 3.80952
97 5I34 GDP 3.80952
98 3QXC ATP 3.80952
99 2ZE7 DST 3.80952
100 4QDI ATP 3.80952
101 4D81 ADP 3.80952
102 5VHC BEF ADP 3.80952
103 4RW3 SHV 3.80952
104 4UXU MLK 3.80952
105 2XTZ GSP 3.80952
106 3T5G GDP 3.94737
107 1HE1 GDP 3.97727
108 1LVG ADP 4.0404
109 1QF9 C5P 4.12371
110 1QF9 ALF 4.12371
111 1QF9 ADP 4.12371
112 3REF GDP 4.12371
113 1Z2A GDP 4.16667
114 1BO4 COA 4.16667
115 3Q72 GNP 4.21687
116 1RRC ADP 4.28571
117 4PPF FLC 4.28571
118 5U32 GDP 4.28571
119 2RCN GDP 4.28571
120 3DKP ADP 4.28571
121 3BFV ADP 4.28571
122 2ZR9 DTP 4.28571
123 5W7Q GDP 4.28571
124 5W76 GDP 4.28571
125 4LYA ATP 4.28571
126 5MZN ADP 4.28571
127 4QOS ADP 4.28571
128 4IEE AGS 4.28571
129 5VGR GDP 4.28571
130 4M9Q GNP 4.28571
131 2QZ4 ADP 4.28571
132 1ION ADP 4.28571
133 6CGZ HL6 4.28571
134 4YJ1 ADP 4.28571
135 3EQO LGC 4.28571
136 4NON GDP 4.28571
137 1F5N GNP 4.28571
138 1FNN ADP 4.28571
139 1Y63 ADP 4.34783
140 2ZEJ GDP 4.34783
141 2JAQ DCP 4.39024
142 3IIJ ADP 4.44444
143 2Y8E GNP 4.46927
144 2GCO GNP 4.47761
145 2GCN GDP 4.47761
146 3T1O GDP 4.54545
147 3T12 GDP ALF 4.54545
148 3NKV GNP 4.57143
149 2HV8 GTP 4.65116
150 1G16 GDP 4.70588
151 3Q85 GNP 4.73373
152 2NCD ADP 4.7619
153 1T5C ADP 4.7619
154 3COB ADP 4.7619
155 5TSH ANP 4.7619
156 5TSH ADP 4.7619
157 4YDS ATP 4.7619
158 4KBF AMP 4.7619
159 2ZJ5 ADP 4.7619
160 5E95 GDP 4.7619
161 2D7D ADP 4.7619
162 4JLV ADP 4.7619
163 5JCZ GDP 4.7619
164 4RD0 GDP 4.7619
165 5EXT ADP 4.7619
166 6DEF GCP 4.7619
167 5M37 9SZ 4.7619
168 2VHJ ADP 4.7619
169 4YS0 ADP 4.7619
170 1YTM ATP 4.7619
171 2WJG GDP 4.78723
172 3MWL 8OX 4.83092
173 4E03 ADP 4.85437
174 5TB5 GDP 4.86486
175 5TAR GDP 4.86486
176 4UXH T5A 4.8913
177 1HTW ADP 5.06329
178 1B7T ADP 5.12821
179 4LHW GNP 5.17241
180 1KK8 BEF ADP 5.19481
181 3DOE GTP 5.20833
182 5W75 GDP 5.2381
183 1XMV ADP 5.2381
184 2IS6 ADP 5.2381
185 3TBK ANP 5.2381
186 1V8K ANP 5.2381
187 3FKQ ATP 5.2381
188 3EZ2 ADP 5.2381
189 1Z6T ADP 5.2381
190 1R6B ADP 5.2381
191 3KJI ADP 5.2381
192 1K6M AGS 5.2381
193 4RZ3 ADP 5.2381
194 3RC3 ANP 5.2381
195 4B5W PYR 5.2381
196 5X40 ACP 5.2381
197 6B8B ADP 5.2381
198 2X77 GDP 5.29101
199 1Z08 GNP 5.29412
200 1ZD9 GDP 5.31915
201 1ZJ6 G3D 5.34759
202 1KSH GDP 5.37634
203 2WJH GDP 5.42169
204 2WJH FLC 5.42169
205 5WLB GNP 5.42169
206 1MR3 G3D 5.52486
207 2IYL GDP 5.6338
208 4BQS K2Q 5.68182
209 4BQS ADP 5.68182
210 1B0U ATP 5.71429
211 4LC1 GDP 5.71429
212 4YMU ATP 5.71429
213 1KK1 GNP 5.71429
214 4IHQ ADP 5.71429
215 6G14 G4P 5.71429
216 3ZFD ANP 5.71429
217 2CE7 ADP 5.71429
218 2O0J ADP 5.71429
219 2G77 GDP 5.71429
220 1ZCB GDP 5.71429
221 3BER AMP 5.71429
222 5HR5 ADP 5.71429
223 4XTR ADP 5.71429
224 1CR1 TTP 5.71429
225 4GOX A3P 5.71429
226 1Z06 GNP 5.71429
227 5AK0 8V1 5.71429
228 4BFW ZVW 5.71429
229 4XVU ATP 5.71429
230 5J1J ANP 5.71429
231 1NY5 ADP 5.71429
232 2C9O ADP 5.71429
233 4XTR ATP 5.71429
234 2CHG ANP 5.71429
235 1L2T ATP 5.71429
236 5BQ5 ADP BEF 5.82011
237 2RGX AP5 5.82524
238 5EE5 GTP 5.84795
239 1RYH GNP 5.91133
240 4KAX GTP 5.91716
241 5OEC GDP 6.01093
242 1O3Y GTP 6.0241
243 2J59 GTP 6.0241
244 1R4A GNP 6.06061
245 5O74 GDP 6.09137
246 1RE0 GDP 6.09756
247 1W4R TTP 6.15385
248 3N5C GDP 6.17284
249 3PCR GTP 6.17284
250 1XKV ATP 6.19048
251 1ZIN AP5 6.19048
252 5GOE GDP 6.19048
253 1AKY AP5 6.19048
254 2D2F ADP 6.19048
255 1S3G AP5 6.19048
256 5LTJ ADP 6.19048
257 2WMO GTP 6.19048
258 3DZD ADP 6.19048
259 5G3Y ADP 6.19048
260 1OS1 ATP 6.19048
261 4NU0 AP5 6.19048
262 1OS1 PYR 6.19048
263 2VB6 ADP BEF 6.19048
264 2ORV 4TA 6.19048
265 4X8O AP5 6.19048
266 4PJ3 ANP 6.19048
267 5IRR GSP 6.19048
268 6FAA ADP 6.19048
269 1H65 GDP 6.19048
270 4PFO ADP 6.19048
271 4QRH 0O2 6.19048
272 3QF7 ANP 6.19048
273 2BEK ATP 6.19048
274 5IQZ MAL 6.19048
275 4S00 AKR 6.19048
276 4GOJ GNP 6.34921
277 4D0N GDP 6.48649
278 3AQ4 GDP 6.52174
279 1M7B GTP 6.52174
280 1CXZ GSP 6.59341
281 2V8L GLC GLC GLC GLC GLC GLC GLC 6.60377
282 1FZQ GDP 6.62983
283 5KSZ GCP 6.66667
284 1OXV ANP 6.66667
285 4MKG AP5 6.66667
286 3FB4 AP5 6.66667
287 1PUJ GNP 6.66667
288 2FSH ANP 6.66667
289 1J2J GTP 6.66667
290 2J0V GDP 6.66667
291 5G41 AP5 6.66667
292 2HF9 GSP 6.66667
293 2FH5 GTP 6.66667
294 1NHX FTB 6.66667
295 1NHX PEP 6.66667
296 4ITR GDP 6.66667
297 2GMV PEP 6.66667
298 2GMV UN8 6.66667
299 1RJ9 GCP 6.66667
300 3O3U MLR 6.66667
301 3DM0 GLC GLC 6.66667
302 1OW3 GDP 6.73575
303 2CJW GDP 6.77083
304 1S9D GDP 6.89655
305 4YLG GDP 6.93642
306 5IRC GDP 6.98925
307 3LXR GDP 7.02703
308 6BCB GSP 7.02703
309 6BCA GSP 7.02703
310 2QQ0 THM 7.06522
311 2QQ0 ANP 7.06522
312 2QQ0 TMP 7.06522
313 2QQ0 ADP 7.06522
314 4AG5 ADP 7.14286
315 2WHX ADP 7.14286
316 1YQT ADP 7.14286
317 5YV5 ADP 7.14286
318 1W0J ADP 7.14286
319 5H7K GDP 7.14286
320 2GK6 ADP 7.14286
321 6H5E ANP 7.14286
322 5H7J GCP 7.14286
323 5I0H ADP BEF 7.14286
324 5K5Z ANP 7.14286
325 3T34 GDP 7.14286
326 4K81 GTP 7.14286
327 1U8Z GDP 7.14286
328 4DID GDP 7.23684
329 2W2X GSP 7.25806
330 4XSH GSP 7.26257
331 3AB3 GDP 7.31707
332 2W58 ADP 7.42574
333 2HT6 GDP 7.47126
334 3UIE ANP 7.5
335 3KTA AP5 7.51445
336 3MD0 GDP 7.61905
337 2Y65 ADP 7.61905
338 2XT3 ADP 7.61905
339 1F9V ADP 7.61905
340 2OM2 GDP 7.61905
341 4PX9 ADP 7.61905
342 3EC1 GDP 7.61905
343 1WDT GTP 7.61905
344 6B4K ANP 7.61905
345 1Y3A GDP 7.61905
346 1SVK ALF GDP 7.61905
347 4R98 GNH 7.74908
348 1JJV ATP 7.76699
349 5KSP GDP 7.89474
350 1Z0A GDP 8.04598
351 2OG2 MLI 8.09524
352 3B9Q MLI 8.09524
353 3CNL GNP 8.09524
354 3E70 GDP 8.09524
355 2B8T THM 8.09524
356 3SFV GDP 8.09524
357 2C77 GNP 8.09524
358 5JCP GDP ALF 8.09524
359 2C78 GNP 8.09524
360 1VKJ A3P 8.09524
361 3VX3 ADP 8.09524
362 5M60 BGC 8.09524
363 1GWN GTP 8.29268
364 4BAS GNP 8.54271
365 5HCN GCP 8.57143
366 4A4Z ANP 8.57143
367 4HI0 GDP 8.57143
368 1UJ2 C5P 8.57143
369 1UJ2 ADP 8.57143
370 1OYY AGS 8.57143
371 4YC7 GNP 8.57143
372 1SVM ATP 8.57143
373 5MVR ADP 8.64198
374 1TU3 GNP 8.77193
375 2A5F GTP 8.80829
376 4V0K GDP 8.87574
377 2VOH CIT 8.9172
378 2CBZ ATP 9.04762
379 1JI0 ATP 9.04762
380 3B5J 12D 9.04762
381 5N69 ADP 9.04762
382 5L3W GDP 9.04762
383 3FWY ADP 9.04762
384 5XDR ADP 9.04762
385 4V03 ADP 9.04762
386 5HPY GDP 9.04762
387 2OZE AGS 9.04762
388 1E2K TMC 9.04762
389 1KI6 AHU 9.04762
390 2W83 GTP 9.09091
391 3PQC GDP 9.23077
392 2GKS ADP 9.52381
393 1GOJ ADP 9.52381
394 5CK5 GDP 9.52381
395 3GJ0 GDP 9.52381
396 1R0X ATP 9.52381
397 5BXQ GDP 9.52381
398 3CH5 GDP 9.52381
399 1G7S GDP 9.52381
400 5KDO GDP 9.52381
401 6CRK GDP 9.52381
402 1GP2 GDP 9.52381
403 3Q9L ATP 9.52381
404 4ZG4 VO4 ADP 9.52381
405 1FQJ GDP 9.52381
406 1G41 ADP 9.52381
407 1FQK GDP 9.52381
408 2QN6 GDP 9.67742
409 5DI3 GNP 9.72973
410 1OFH ADP 9.77011
411 1D5C GDP 9.87654
412 1Z0K GTP 9.88372
413 2PZE ATP 10
414 4WZ6 ATP 10
415 3P4X ADP 10
416 3GJ7 GDP 10
417 3GJ4 GDP 10
418 3GJ8 GDP 10
419 3GJ5 GDP 10
420 5L3V GDP 10
421 3ZIA ATP 10
422 4H1V GNP 10
423 1UPT GTP 10
424 2ZFI ADP 10
425 3ZIA ADP 10
426 1X6V ADP 10
427 5Y6N ADP 10
428 5L3S GNP 10
429 2IXE ATP 10
430 5LLB 6YZ 10
431 2OFW ADX 10.0962
432 1KO8 6PG 10.2857
433 1G6H ADP 10.4762
434 3EWA ANP 10.4762
435 4ZNL BEF ADP 10.4762
436 3ITJ CIT 10.4762
437 3VP6 HLD 10.4762
438 1F6B GDP 10.6061
439 4HSE ADP 10.9524
440 4Q1A 2XZ 10.9524
441 4Q1A UDP 10.9524
442 2JLR ANP 10.9524
443 2QG6 NMN 11.0553
444 1Q7L GLY 11.3636
445 3TK1 GDP 11.4286
446 1YRB GDP 11.4286
447 1SQ5 ADP 11.4286
448 3HST MLR 11.4286
449 3H4Z GLC GLC 11.4286
450 2PEZ DAT 11.7318
451 2PEZ GGZ 11.7318
452 1JJ7 ADP 11.9048
453 3U6B GDP 11.9048
454 4P3Y GDP 11.9048
455 2HCJ GDP 11.9048
456 5JBQ GDP 11.9048
457 4G5G GDP 11.9048
458 4DCT GDP 11.9048
459 1D8T GDP 11.9048
460 3U6K GDP 11.9048
461 2BVN GNP 11.9048
462 4PC3 GDP 11.9048
463 1QHG ATP 11.9048
464 1YTV MAL 11.9048
465 3GJ3 GDP 12.1212
466 2CK3 ANP 12.3288
467 2VVG ADP 12.381
468 5FTB ANP 12.381
469 1XP8 AGS 12.381
470 5FHD ADP ALF 12.381
471 5L3R GCP 12.381
472 1W7J ADP BEF 12.5828
473 4MKF AP5 12.8571
474 3H86 AP5 13.0208
475 4CVN ADP 13.089
476 3WXM GTP 13.3333
477 4ZI2 GNP 13.5338
478 1G4U GDP 13.8095
479 1QHH ATP 13.913
480 2AWN ADP 14.2857
481 2BCG GDP 14.2857
482 1IHU AF3 14.2857
483 3RLF ANP 14.2857
484 1IHU ADP 14.2857
485 1YZG GDP 14.5251
486 1Z0F GDP 14.5251
487 4XR8 MAL 14.5695
488 5YT0 GDP 14.7619
489 2FJU GSP 14.7619
490 3KUD GDP 14.8148
491 4D0G GTP 14.8571
492 2CDN ADP 14.9254
493 3FVQ ATP 15.3203
494 6BC0 GSP 15.3333
495 5GVR LMR 15.7143
496 5IFS ADP 15.7143
497 1M2O GNP 15.7895
498 1VG0 GDP 15.942
499 2BME GNP 16.129
500 2QTV GNP 16.1677
501 1OE0 TTP 16.1905
502 2XAU ADP 16.1905
503 5T0B SIA GAL NAG 16.1905
504 2A9K GDP 16.5775
505 3DC4 ADP 16.6667
506 2F9L GDP 17.0854
507 3CPJ GDP 17.1429
508 1VG1 GDP 17.2973
509 1VG9 GDP 17.2973
510 4XGU ADP 17.4528
511 3A1S GDP 17.619
512 1TQ4 GDP 17.619
513 4NCN GTP 17.619
514 4TMZ GSP 17.619
515 1OIV GDP 17.801
516 2V7Q ATP 18.1818
517 2V7Q ADP 18.1818
518 2EFE GNH 18.7845
519 3RWO GDP 18.9189
520 6C90 ADP 19.2308
521 1NRJ GTP 19.5238
522 1GOT GDP 20
523 2QEN ADP 20.4762
524 5Z84 CHD 20.5479
525 2OBM ADP 20.9524
526 5FG3 GDP 21.9048
527 1M7G AV2 35.2381
528 1M7G ADX 35.2381
529 1M7G ADP 35.2381
530 3A4M ADP 40.4762
Pocket No.: 2; Query (leader) PDB : 2YOH; Ligand: WMJ; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 2yoh.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5VLQ ANP 2.38095
2 5WRJ A3P 2.38095
3 5WRI A3P 2.38095
4 4EBZ NAG NAG NAG NAG 2.85714
5 1XPJ TLA 3.1746
6 2WKQ GTP 3.33333
7 3ZS9 ADP ALF 3.33333
8 1MH1 GNP 3.76344
9 4OI4 ATP 3.80952
10 3BD9 A3P 3.80952
11 3NGU ADP 3.97351
12 5XC5 GTP 3.97727
13 3FYH ADP 4.28571
14 6AU6 GDP 4.28571
15 4ZKD GDP 4.28571
16 3BC1 GNP 4.61538
17 1YZQ GNP 4.70588
18 3RAB GNP 4.73373
19 5UQW GDP 4.7619
20 1CLU DBG 4.81928
21 2J5V PCA 5.2381
22 5O2T GSP 5.32544
23 4WEI GLC GAL 5.41516
24 2G77 AF3 5.71429
25 3CX8 GSP 5.71429
26 1EK0 GNP 5.88235
27 1FWV SGA MAG FUC 5.97015
28 5LTJ BEF 6.19048
29 5N18 8HZ 6.42202
30 2FFQ GSP 6.43275
31 1DAK DPU 6.66667
32 1DAK ADP 6.66667
33 1KMQ GNP 7.06522
34 3KC1 2T6 7.14286
35 1W0J ADP BEF 7.14286
36 4XOI GTP 7.22222
37 1TX4 ALF GDP 7.34463
38 1NJF ADP 7.61905
39 1NJF AGS 7.61905
40 3TKL GTP 8.09524
41 1YVD GNP 8.28402
42 4RM0 FUC NAG GAL 8.57143
43 1R2Q GNP 8.82353
44 3MJH GTP 8.92857
45 6CS8 F9Y 9.04762
46 1LVK MNT BEF 9.04762
47 3QBT GNP 9.77011
48 5L3S G 10
49 1CS4 GSP 10
50 4WZA ACP 10.4762
51 4WZA ADP 10.4762
52 4NE2 ADP 11.4286
53 4NE2 SH2 11.4286
54 6BYF CIT 12.3529
55 2XN3 ID8 12.381
56 1IBR GNP 12.381
57 1IN4 ADP 12.8571
58 3VMF GTP 13.3333
59 1NF3 GNP 14.359
60 5DHF GNP 14.7619
61 3M1I GTP 14.7619
62 1CEB AMH 14.7727
63 3HU3 AGS 15.7143
64 4LJ9 ACP 15.7143
65 1UAD GNP 17.7143
66 5Z2M GTP 18.1818
67 4G86 BNT 21.9048
68 5LEF GTP 22.7273
69 2GJ8 ALF GDP 25
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