-->
Receptor
PDB id Resolution Class Description Source Keywords
2IYY 1.62 Å EC: 2.7.1.71 SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SHIKIMATE-3-PHOSPHATE AND SO4 MYCOBACTERIUM TUBERCULOSIS TRANSFERASE AROMATIC AMINO ACID BIOSYNTHESIS KINASE MAGNESIUM P-LOOP KINASE METAL-BINDING SHIKIMATE KINASE SHIKIMATE PATHWAY NUCLEOTIDE-BINDING AMINO-ACID BIOSYNTHESIS ATP-BINDING
Ref.: MECHANISM OF PHOSPHORYL TRANSFER CATALYZED BY SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS. J.MOL.BIOL. V. 364 411 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:214;
A:215;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:211;
A:212;
A:213;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:204;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
S3P A:201;
Valid;
none;
submit data
254.131 C7 H11 O8 P C1[C@...
SO4 A:202;
A:205;
A:206;
A:207;
A:208;
A:209;
A:210;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
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
4BQS 2.15 Å EC: 2.7.1.71 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS SHIKIMATE KI COMPLEX WITH ADP AND A SHIKIMIC ACID DERIVATIVE. MYCOBACTERIUM TUBERCULOSIS TRANSFERASE PHOSPHOTRANSFERASES (ALCOHOL GROUP ACCEPTOR) SACID PATHWAY INHIBITOR
Ref.: MYCOBACTERIUM TUBERCULOSIS SHIKIMATE KINASE INHIBIT DESIGN AND SIMULATION STUDIES OF THE CATALYTIC TURN J. AM. CHEM. SOC. V. 135 12366 2013
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IYW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2DFN - SKM C7 H10 O5 C1[C@H]([C....
4 4BQS Ki = 62 uM K2Q C10 H12 O5 C1C=C[C@]2....
5 2IYZ - S3P C7 H11 O8 P C1[C@H]([C....
6 2IYV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 1L4U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2IYY - S3P C7 H11 O8 P C1[C@H]([C....
9 2IYX - SKM C7 H10 O5 C1[C@H]([C....
10 1WE2 - DHK C7 H10 O5 C1[C@@H](C....
11 2IYQ - SKM C7 H10 O5 C1[C@H]([C....
12 1U8A - SKM C7 H10 O5 C1[C@H]([C....
13 2IYU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2IYR - SKM C7 H10 O5 C1[C@H]([C....
15 2G1K - SKM C7 H10 O5 C1[C@H]([C....
16 2IYS - SKM C7 H10 O5 C1[C@H]([C....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IYW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2DFN - SKM C7 H10 O5 C1[C@H]([C....
4 4BQS Ki = 62 uM K2Q C10 H12 O5 C1C=C[C@]2....
5 2IYZ - S3P C7 H11 O8 P C1[C@H]([C....
6 2IYV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 1L4U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2IYY - S3P C7 H11 O8 P C1[C@H]([C....
9 2IYX - SKM C7 H10 O5 C1[C@H]([C....
10 1WE2 - DHK C7 H10 O5 C1[C@@H](C....
11 2IYQ - SKM C7 H10 O5 C1[C@H]([C....
12 1U8A - SKM C7 H10 O5 C1[C@H]([C....
13 2IYU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2IYR - SKM C7 H10 O5 C1[C@H]([C....
15 2G1K - SKM C7 H10 O5 C1[C@H]([C....
16 2IYS - SKM C7 H10 O5 C1[C@H]([C....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2IYW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2DFN - SKM C7 H10 O5 C1[C@H]([C....
4 4BQS Ki = 62 uM K2Q C10 H12 O5 C1C=C[C@]2....
5 2IYZ - S3P C7 H11 O8 P C1[C@H]([C....
6 2IYV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 1L4U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2IYY - S3P C7 H11 O8 P C1[C@H]([C....
9 2IYX - SKM C7 H10 O5 C1[C@H]([C....
10 1WE2 - DHK C7 H10 O5 C1[C@@H](C....
11 2IYQ - SKM C7 H10 O5 C1[C@H]([C....
12 1U8A - SKM C7 H10 O5 C1[C@H]([C....
13 2IYU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2IYR - SKM C7 H10 O5 C1[C@H]([C....
15 2G1K - SKM C7 H10 O5 C1[C@H]([C....
16 2IYS - SKM C7 H10 O5 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S3P; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 S3P 1 1
2 EPS 0.545455 0.897436
3 SC1 0.508475 0.875
4 RC1 0.508475 0.875
5 SKP 0.491803 0.897436
6 SPQ 0.46875 0.813953
7 GG9 0.461538 0.875
8 SKM 0.456522 0.641026
9 6TO 0.421875 0.675
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BQS; Ligand: K2Q; Similar sites found with APoc: 720
This union binding pocket(no: 1) in the query (biounit: 4bqs.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1F9V ADP None
2 5GVR LMR None
3 1VG1 GDP None
4 4WG0 CHD None
5 3IUY AMP None
6 4RJD TFP None
7 2B4B COA None
8 5H4S RAM None
9 1VG8 GNP None
10 3RV5 DXC None
11 1VBO MAN MAN MAN None
12 2ZX2 RAM None
13 3BFX A3P None
14 6F7X MFU None
15 3BU1 HSM None
16 3ZW0 FUC None
17 5XNA SHV None
18 2NLQ GLY None
19 5CXX FER None
20 4LZB URA 1.13636
21 5KSP GDP 1.70455
22 3BER AMP 1.70455
23 2Z5F A3P 1.70455
24 2UW1 GVM 1.70455
25 1SAZ ACP 1.70455
26 4HDO GNP 1.79641
27 2GDJ ANP 2.27273
28 1XP8 AGS 2.27273
29 1U0J ADP 2.27273
30 4P4T GDP 2.27273
31 1D2N ANP 2.27273
32 5CIC 51R 2.27273
33 2QQ0 THM 2.27273
34 2AJ4 ANP 2.27273
35 3U6B GDP 2.84091
36 1D8T GDP 2.84091
37 4G5G GDP 2.84091
38 1D2E GDP 2.84091
39 5W76 GDP 2.84091
40 5JBQ GDP 2.84091
41 5W7Q GDP 2.84091
42 3U6K GDP 2.84091
43 3EZ2 ADP 2.84091
44 5W75 GDP 2.84091
45 1Q7E MET 2.84091
46 5W75 SUC 2.84091
47 2BVN GNP 2.84091
48 1VKJ A3P 2.84091
49 5OSW DIU 2.84091
50 1H65 GDP 2.84091
51 3FYH ADP 2.84091
52 1UJ2 C5P 2.84091
53 2C77 GNP 2.84091
54 1UJ2 ADP 2.84091
55 2C78 GNP 2.84091
56 2B8T THM 2.84091
57 4CSD MFU 2.84091
58 4D1J DGJ 2.84091
59 3WSG CIT 2.84091
60 3FKQ ATP 3.21716
61 1T5C ADP 3.40909
62 3LRE ADP 3.40909
63 1BG2 ADP 3.40909
64 1DAR GDP 3.40909
65 2FSH ANP 3.40909
66 5LB3 ADP 3.40909
67 3BOS CDP 3.40909
68 3KJI ADP 3.40909
69 1TQ4 GDP 3.40909
70 4UCC ZKW 3.40909
71 3QF7 ANP 3.40909
72 5J1S ATP 3.40909
73 5I34 GDP 3.40909
74 4KVG GTP 3.40909
75 3KC1 2T6 3.40909
76 4N4J HG1 3.40909
77 2P4S DIH 3.40909
78 1OYJ GSH 3.40909
79 3H86 AP5 3.40909
80 3M6P BB2 3.40909
81 6A20 ADP 3.97727
82 5U32 GDP 3.97727
83 3EWA ANP 3.97727
84 4IHQ ADP 3.97727
85 2ZFI ADP 3.97727
86 5ZBR ANP 3.97727
87 2PL3 ADP 3.97727
88 1NRJ GTP 3.97727
89 1KY3 GDP 3.97727
90 3T1O GDP 3.97727
91 4KBF AMP 3.97727
92 1QHG ATP 3.97727
93 5VGR GDP 3.97727
94 2Q8M AMP 3.97727
95 2WOJ ADP ALF 3.97727
96 3ZS9 ADP ALF 3.97727
97 2OWZ CIT 3.97727
98 3HQP FDP 3.97727
99 4LBP 1WG 4
100 1KAO GDP 4.19162
101 5Z2M GTP 4.34783
102 3COB ADP 4.54545
103 1B0U ATP 4.54545
104 4AG5 ADP 4.54545
105 2W58 ADP 4.54545
106 1V8K ANP 4.54545
107 3P4X ADP 4.54545
108 4ZNL BEF ADP 4.54545
109 2J0V GDP 4.54545
110 2ZTS ADP 4.54545
111 4YJ1 ADP 4.54545
112 3IO3 ADP 4.54545
113 5I0H ADP BEF 4.54545
114 5JCP GDP ALF 4.54545
115 5J6Y GLC 4.54545
116 5J6Y BGC 4.54545
117 4RD0 GDP 4.54545
118 1G7C 5GP 4.54545
119 2J5V PCA 4.54545
120 2GMV UN8 4.54545
121 4F06 PHB 4.54545
122 2QCX PF1 4.54545
123 4IOK XPO 4.54545
124 1SVM ATP 4.54545
125 5LLB 6YZ 4.54545
126 2I4I AMP 4.54545
127 1NHX FTB 4.54545
128 4IOK ADP 4.54545
129 1NHX PEP 4.54545
130 3BD9 A3P 4.54545
131 2GMV PEP 4.54545
132 2JK0 ASP 4.54545
133 3UWB BB2 4.54545
134 1NST A3P 4.54545
135 2IYL GDP 4.57746
136 1GUA GNP 4.93827
137 2VVG ADP 5.11364
138 2CBZ ATP 5.11364
139 1JI0 ATP 5.11364
140 5TSH ADP 5.11364
141 5LTJ ADP 5.11364
142 2RCN GDP 5.11364
143 4LC1 GDP 5.11364
144 5TSH ANP 5.11364
145 5BQ5 ADP BEF 5.11364
146 2XAU ADP 5.11364
147 1I4D GDP 5.11364
148 1DS6 GDP 5.11364
149 4IEE AGS 5.11364
150 1XMV ADP 5.11364
151 5LTJ BEF 5.11364
152 5L3W GDP 5.11364
153 2WMO GTP 5.11364
154 5MZN ADP 5.11364
155 4DID GDP 5.11364
156 1RYH GNP 5.11364
157 6B8B ADP 5.11364
158 5EXT ADP 5.11364
159 1A4R GNH 5.11364
160 4BAS GNP 5.11364
161 3LXR GDP 5.11364
162 5YLF BGC 5.11364
163 2OZE AGS 5.11364
164 1A4R GDP 5.11364
165 2GCO GNP 5.11364
166 4XSH GSP 5.11364
167 5NM7 GLY 5.11364
168 3TMK T5A 5.11364
169 4U5X GNP 5.11364
170 5HPY GDP 5.11364
171 2GCN GDP 5.11364
172 2ZJ5 ADP 5.11364
173 3QXC ATP 5.11364
174 2WKQ GTP 5.11364
175 3ZQ6 ADP ALF 5.11364
176 1KMQ GNP 5.11364
177 5UPK GNP 5.11364
178 1MH1 GNP 5.11364
179 4GOX A3P 5.11364
180 4XFR CIT 5.11364
181 1NF3 GNP 5.11364
182 2FJK 13P 5.11364
183 1E96 GTP 5.11364
184 1Z0K GTP 5.23256
185 4KFU ACP 5.68182
186 4LPS GDP 5.68182
187 4P3Y GDP 5.68182
188 2IS6 ADP 5.68182
189 1SVI GDP 5.68182
190 4PX9 ADP 5.68182
191 5XDR ADP 5.68182
192 4JLV ADP 5.68182
193 3A1S GDP 5.68182
194 4V03 ADP 5.68182
195 6FAA ADP 5.68182
196 4PJ3 ANP 5.68182
197 1HE1 AF3 5.68182
198 1W7J ADP BEF 5.68182
199 5VHC BEF ADP 5.68182
200 1CR1 TTP 5.68182
201 2A9K GDP 5.68182
202 2YOH WMJ 5.68182
203 3FIU POP 5.68182
204 2IXE ATP 5.68182
205 4ZDJ UTP 5.68182
206 1OYY AGS 5.68182
207 4R2I ANP 5.68182
208 5X40 ACP 5.68182
209 1L2T ATP 5.68182
210 2FJU GSP 5.68182
211 1HE1 GDP 5.68182
212 4NON GDP 5.68182
213 4WBD CIT 5.68182
214 4TMK T5A 5.68182
215 2X7I CIT 5.68182
216 2BME GNP 5.68182
217 5EE7 5MV 5.68182
218 3K5I AIR 5.68182
219 5CX8 TG6 5.68182
220 4LH7 NMN 5.68182
221 4XOI GTP 5.68182
222 3SBD GNP 5.68182
223 1B7T ADP 5.76923
224 1KK8 BEF ADP 5.84416
225 5Z69 AGS 5.91398
226 1U8Z GDP 5.95238
227 2WJH GDP 6.0241
228 2WJH FLC 6.0241
229 1DTL BEP 6.21118
230 1G6H ADP 6.25
231 1F6B GDP 6.25
232 3WYA GDP 6.25
233 3BFV ADP 6.25
234 1SKQ GDP 6.25
235 3TBK ANP 6.25
236 4QOS ADP 6.25
237 2D7D ADP 6.25
238 2NGR GDP 6.25
239 3FB4 AP5 6.25
240 2FH5 GTP 6.25
241 1M7G ADX 6.25
242 1AKY AP5 6.25
243 2XTN GTP 6.25
244 2ZPA ADP 6.25
245 2NGR AF3 6.25
246 1M7G ADP 6.25
247 1XKV ATP 6.25
248 1M7B GTP 6.25
249 1GWN GTP 6.25
250 3R7F CP 6.25
251 3BC1 GNP 6.25
252 1YTM ATP 6.25
253 2Q2Y MKR 6.25
254 2Q2Y ADP 6.25
255 1M7G AV2 6.25
256 4ZKD GDP 6.25
257 5G1N PAL 6.25
258 3Q85 GNP 6.50888
259 4JLS 3ZE 6.57895
260 3T12 GDP ALF 6.61765
261 2AWN ADP 6.81818
262 2NCD ADP 6.81818
263 3DC4 ADP 6.81818
264 4YMU ATP 6.81818
265 2CJW GDP 6.81818
266 1OXV ANP 6.81818
267 1YZG GDP 6.81818
268 4R98 GNH 6.81818
269 5FTB ANP 6.81818
270 5IRN ADP 6.81818
271 1G4U AF3 6.81818
272 1WDT GTP 6.81818
273 5FHD ADP ALF 6.81818
274 1UKZ ADP 6.81818
275 1GRN AF3 6.81818
276 5XC5 GTP 6.81818
277 1GRN GDP 6.81818
278 5IRC GDP 6.81818
279 1G4U GDP 6.81818
280 1OW3 GDP 6.81818
281 3FVQ ATP 6.81818
282 1M2O GNP 6.81818
283 5H67 ATP 6.81818
284 6DEF GCP 6.81818
285 5LV1 78T 6.81818
286 1F5N GNP 6.81818
287 1TX4 ALF GDP 6.81818
288 1OE0 TTP 6.81818
289 3AB4 THR 6.81818
290 5H68 AGS 6.81818
291 1SQL GUN 6.84932
292 1CXZ GSP 6.97674
293 2KIN ADP 7
294 4WOP CTP 7.11111
295 2QTV GNP 7.18563
296 3Q72 GNP 7.22892
297 6BC0 GSP 7.33333
298 5TQZ GLC 7.33333
299 1YQT ADP 7.38636
300 3NHB ADP 7.38636
301 5YV5 ADP 7.38636
302 3UIE ANP 7.38636
303 3B5J 12D 7.38636
304 3GJ3 GDP 7.38636
305 3GJ7 GDP 7.38636
306 3GJ4 GDP 7.38636
307 3GJ0 GDP 7.38636
308 1MKY GDP 7.38636
309 5FG3 GDP 7.38636
310 5YT0 GDP 7.38636
311 5BXQ GDP 7.38636
312 3CH5 GDP 7.38636
313 3GJ5 GDP 7.38636
314 3GJ8 GDP 7.38636
315 3E70 GDP 7.38636
316 4DCT GDP 7.38636
317 1SQ5 ADP 7.38636
318 4R43 GDP 7.38636
319 3DZD ADP 7.38636
320 2PEZ DAT 7.38636
321 2PEZ GGZ 7.38636
322 6B4K ANP 7.38636
323 4H1V GNP 7.38636
324 5M7P ADP 7.38636
325 5KSZ GCP 7.38636
326 3AB3 GDP 7.38636
327 2CHG ANP 7.38636
328 4ITR GDP 7.38636
329 5IRR GSP 7.38636
330 4HAT GNP 7.38636
331 5DI9 GNP 7.38636
332 1RJ9 GCP 7.38636
333 1ZCB GDP 7.38636
334 5UWH GNP 7.38636
335 6AU6 GDP 7.38636
336 5UWW GNP 7.38636
337 5UWI GNP 7.38636
338 5UWQ GNP 7.38636
339 6CIT GNP 7.38636
340 5UWO GNP 7.38636
341 5UWR GNP 7.38636
342 3CX8 GSP 7.38636
343 5DIF GNP 7.38636
344 5DHF GNP 7.38636
345 5UWJ GNP 7.38636
346 5UWT GNP 7.38636
347 3M1I GTP 7.38636
348 4OHY ANP 7.38636
349 1IBR GNP 7.38636
350 1GPJ CIT 7.38636
351 3VMF GTP 7.38636
352 1WA5 GTP 7.38636
353 1WF3 GNP 7.38636
354 3WYF GTP 7.38636
355 5UWP GNP 7.38636
356 5Y02 MXN 7.47664
357 2GJ8 ALF GDP 7.55814
358 1Z08 GNP 7.64706
359 4V0K GDP 7.69231
360 2XT3 ADP 7.95455
361 2OG2 MLI 7.95455
362 1LVG ADP 7.95455
363 3B9Q MLI 7.95455
364 5M04 GDP 7.95455
365 2X77 GDP 7.95455
366 4YDS ATP 7.95455
367 5HCN GCP 7.95455
368 3AQ4 GDP 7.95455
369 4B47 GDP 7.95455
370 1ZJ6 G3D 7.95455
371 2D2F ADP 7.95455
372 5IFS ADP 7.95455
373 1G6O ADP 7.95455
374 1G7S GDP 7.95455
375 1XX6 ADP 7.95455
376 4KVA GTP 7.95455
377 4PC3 GDP 7.95455
378 3EC1 GDP 7.95455
379 2OM2 GDP 7.95455
380 1KSH GDP 7.95455
381 5ZB0 TYD 7.95455
382 5ZB0 ADP 7.95455
383 1K6M AGS 7.95455
384 3HU3 AGS 7.95455
385 1Y3A GDP 7.95455
386 1OS1 PYR 7.95455
387 1OS1 ATP 7.95455
388 4YS0 ADP 7.95455
389 3RC3 ANP 7.95455
390 3RLF ANP 7.95455
391 1FQK GDP 7.95455
392 1CS4 GSP 7.95455
393 4OI4 ATP 7.95455
394 2ODE ALF GDP 7.95455
395 1BH2 GSP 7.95455
396 3E5H GNP 7.95455
397 1SVK ALF GDP 7.95455
398 2XHK AKG 7.95455
399 1TAD ALF 7.95455
400 1TAD GDP 7.95455
401 3PCR GTP 8.02469
402 2VB6 ADP BEF 8.05369
403 4YLG GDP 8.09249
404 4QM7 GTP 8.18713
405 4KAX GTP 8.28402
406 1BO4 COA 8.33333
407 1O3Y GTP 8.43373
408 1J2J GTP 8.43373
409 2J59 GTP 8.43373
410 3DOE GTP 8.48485
411 1GOJ ADP 8.52273
412 4U00 ADP 8.52273
413 3CNL GNP 8.52273
414 1MR3 G3D 8.52273
415 1FZQ GDP 8.52273
416 5H7J GCP 8.52273
417 5GOE GDP 8.52273
418 4HSE ADP 8.52273
419 5H7K GDP 8.52273
420 6C90 ADP 8.52273
421 1S3G AP5 8.52273
422 1Z6T ADP 8.52273
423 4A4Z ANP 8.52273
424 1NN5 2DT 8.52273
425 1NN5 ANP 8.52273
426 5DI3 GNP 8.52273
427 1Z83 AP5 8.52273
428 5G3Y ADP 8.52273
429 2QG6 NMN 8.52273
430 2BEK ATP 8.52273
431 1RE0 GDP 8.53659
432 1S9D GDP 8.53659
433 5MVR ADP 8.64198
434 3N5C GDP 8.64198
435 1UPT GTP 8.77193
436 5EE5 GTP 8.77193
437 3H4S ADP 9.09091
438 4FRZ ADP 9.09091
439 5ZXD ATP 9.09091
440 2CE7 ADP 9.09091
441 5G41 AP5 9.09091
442 1G3Q ADP 9.09091
443 3T5G GDP 9.09091
444 1FNN ADP 9.09091
445 4FCW ADP 9.09091
446 4MKG AP5 9.09091
447 1ZIN AP5 9.09091
448 1ION ADP 9.09091
449 2W83 GTP 9.09091
450 1R4A GNP 9.09091
451 4GOJ GNP 9.09091
452 2JAQ DCP 9.09091
453 6CS8 F9Y 9.09091
454 4PFO ADP 9.09091
455 1Y63 ADP 9.09091
456 4NCN GTP 9.09091
457 4TMZ GSP 9.09091
458 6BSX GDP 9.09091
459 3QKT ANP 9.09091
460 1QHH ATP 9.56522
461 1RRC ADP 9.65909
462 3TK1 GDP 9.65909
463 3MD0 GDP 9.65909
464 3ZFD ANP 9.65909
465 3DEF GDP 9.65909
466 4X8O AP5 9.65909
467 3FWY ADP 9.65909
468 1G41 ADP 9.65909
469 4MKF AP5 9.65909
470 4NU0 AP5 9.65909
471 1E2K TMC 9.65909
472 4M9Q GNP 9.65909
473 4Q1A 2XZ 9.65909
474 4Q1A UDP 9.65909
475 2RGX AP5 9.65909
476 1W4R TTP 9.65909
477 3VX3 ADP 9.65909
478 3B6C SDN 9.65909
479 3B8I OXL 9.65909
480 2ORV 4TA 9.65909
481 4Y4V DAL 9.65909
482 3A4M ADP 9.65909
483 3AI3 SOE 9.65909
484 4USI AKG 9.74026
485 1UAD GNP 10.101
486 1JJV ATP 10.2273
487 4PPF FLC 10.2273
488 5WC2 ADP 10.2273
489 2ZR9 DTP 10.2273
490 6G14 G4P 10.2273
491 2DPY ADP 10.2273
492 2QZ4 ADP 10.2273
493 1PUJ GNP 10.2273
494 4LJ9 ACP 10.2273
495 5J1J ANP 10.2273
496 4ZG4 VO4 ADP 10.2273
497 2HF9 GSP 10.2273
498 2CDN ADP 10.2273
499 3BY9 SIN 10.2273
500 3WXM GTP 10.2273
501 1F2U ATP 10.7383
502 2QN6 GDP 10.7527
503 2GKS ADP 10.7955
504 4LYA ATP 10.7955
505 5BN3 ADP 10.7955
506 3DKP ADP 10.7955
507 5N69 ADP 10.7955
508 5KDO GDP 10.7955
509 1GP2 GDP 10.7955
510 2A5F GTP 10.7955
511 6CRK GDP 10.7955
512 1GOT GDP 10.7955
513 1W5T ANP 10.7955
514 1W5T ADP 10.7955
515 3VPD BUA 10.7955
516 1GXU 2HP 10.989
517 1VG9 GDP 11.3636
518 1VG0 GDP 11.3636
519 2QEN ADP 11.3636
520 1R6B ADP 11.3636
521 2C9O ADP 11.3636
522 4YC7 GNP 11.3636
523 1HTW ADP 11.3924
524 3KTA AP5 11.5607
525 1XEX ATP 11.6279
526 1EK0 GNP 11.7647
527 5L3V GDP 11.9318
528 1R0X ATP 11.9318
529 5OEC GDP 11.9318
530 5L3S GNP 11.9318
531 6AIC AMP 11.9318
532 5HJM HSL 11.9318
533 1RL4 BRR 11.9318
534 3GJX GTP 11.9318
535 2H92 C5P 11.9318
536 5L3S G 11.9318
537 3RKR NAP 11.9318
538 1KO8 6PG 12
539 2PZE ATP 12.5
540 4WZ6 ATP 12.5
541 3PQC GDP 12.5
542 3Q9L ATP 12.5
543 3G5N PB2 12.5
544 5CX6 CDP 12.5
545 3WMX THR 12.5
546 2O0J ADP 12.5
547 1OFH ADP 12.6437
548 4TTQ ATP 13.0682
549 3ZIA ATP 13.0682
550 3ZIA ADP 13.0682
551 3B7G ANP 13.0682
552 2FAH GDP 13.0682
553 5XKT GNP 13.0682
554 3WYG GTP 13.1579
555 6BCA GSP 13.245
556 1WUW TSU 13.3333
557 2HCJ GDP 13.5135
558 5L3R GCP 13.6364
559 2G77 GDP 13.6364
560 1Z06 GNP 13.6364
561 2G77 AF3 13.6364
562 1ZD9 GDP 13.8298
563 1KK1 GNP 14.2045
564 4D81 ADP 14.2045
565 1NJF ADP 14.2045
566 1NJF AGS 14.2045
567 6H5E ANP 14.2045
568 1FQJ GDP 14.2857
569 5Y6N ADP 14.7727
570 2WIC GNP 14.7727
571 2GK6 ADP 14.7727
572 2V7Q ATP 14.7727
573 1W0J ADP 14.7727
574 2V7Q ADP 14.7727
575 1QF9 ALF 14.7727
576 1QF9 C5P 14.7727
577 1QF9 ADP 14.7727
578 2CK3 ANP 14.7727
579 4RZ3 ADP 14.7727
580 1W0J ADP BEF 14.7727
581 1Q19 SSC 14.7727
582 2EB5 OXL 14.7727
583 2CK3 ADP 14.7727
584 3IIJ ADP 14.7727
585 3CHT 4NB 14.7727
586 4XTR ADP 14.7826
587 4XVU ATP 14.7826
588 4XTR ATP 14.7826
589 1Z0J GTP 15.2941
590 5KUT GDP 15.3409
591 5K5Z ANP 15.3409
592 6C92 EGV 15.3409
593 1YRB GDP 15.9091
594 1LVK MNT BEF 15.9091
595 1IZC PYR 15.9091
596 1ZC3 GNP 15.9292
597 1YVD GNP 15.9763
598 4J0Q GDP 16.4773
599 2WJG GDP 16.4773
600 1NY5 ADP 16.4773
601 2Y8E GNP 16.4773
602 3MJH GTP 16.6667
603 5UQW GDP 16.9312
604 1TU3 GNP 16.9591
605 2EFE GNH 17.0455
606 2A5J GDP 17.0455
607 1X6V ADP 17.0455
608 2OFW ADX 17.0455
609 1G16 GDP 17.0588
610 1R2Q GNP 17.0588
611 1Z0A GDP 17.2414
612 5TB5 GDP 17.2973
613 5TAR GDP 17.2973
614 5WDR GNP 17.5439
615 1VHT BA3 17.6136
616 3T34 GDP 17.6136
617 2FNA ADP 17.6136
618 4TL6 ANP 17.6136
619 3RWO GDP 17.6136
620 4D0G GTP 17.7143
621 2W2X GSP 17.7419
622 6FA4 GNP 17.9191
623 2JLR ANP 18.1818
624 4DKX GDP 18.1818
625 1Z0F GDP 18.1818
626 4HI0 GDP 18.1818
627 2BCG GDP 18.1818
628 2ZEJ GDP 18.1818
629 5UIV ADP 18.1818
630 1YZN GNP 18.1818
631 5OCG GNP 18.1818
632 3RAB GNP 18.3432
633 2HT6 GDP 18.3908
634 2C5L GTP 18.4971
635 1S8F GDP 18.75
636 3CPJ GDP 18.75
637 3SFV GDP 18.75
638 3REF GDP 18.75
639 2XTZ GSP 18.75
640 4K81 GTP 18.75
641 1OIX GDP 18.75
642 3TKL GTP 18.75
643 5SZH GNP 18.75
644 3NKV GNP 18.8571
645 5O2T GSP 18.9349
646 4CVN ADP 18.9781
647 5E95 GDP 19.0476
648 1LFD GNP 19.1617
649 2HV8 GTP 19.186
650 3KP6 SAL 19.2053
651 5WLB GNP 19.2771
652 3KUD GDP 19.2771
653 1WQ1 GDP 19.2771
654 2UZI GTP 19.2771
655 3DDC GNP 19.2771
656 5O74 GDP 19.3182
657 4XGU ADP 19.3182
658 1OIV GDP 19.3182
659 5JCZ GDP 19.3182
660 4LX0 BEF GDP 19.3182
661 3MBI HSX 19.3182
662 4QO5 NAG 19.3182
663 1YZQ GNP 19.4118
664 4LHW GNP 19.5402
665 3QBT GNP 19.5402
666 3TNF GNP 19.5402
667 4C4P GNP 19.6532
668 1X1R GDP 19.6629
669 1D5C GDP 19.7531
670 2D7C GTP 19.7605
671 1CLU DBG 19.8795
672 2F9L GDP 19.8864
673 2EW1 GNP 19.8864
674 3HQ9 OXL 19.8864
675 2Y65 ADP 20
676 5CK5 GDP 20.4545
677 2ZE7 AMP 20.4545
678 2ZE7 DST 20.4545
679 1NVV GNP 20.4545
680 2VHJ ADP 20.4545
681 6D5M GNP 20.4545
682 6D5L GNP 20.4545
683 6D56 GNP 20.4545
684 6D55 GNP 20.4545
685 6D59 GNP 20.4545
686 6D5J GNP 20.4545
687 6D5G GNP 20.4545
688 6BVJ GNP 20.4545
689 6BVK GNP 20.4545
690 6D5V GNP 20.4545
691 6D5E GNP 20.4545
692 6BVL GNP 20.4545
693 6BVI GNP 20.4545
694 6D5H GNP 20.4545
695 6BVM GNP 20.4545
696 5HR5 ADP 21.0227
697 2OBM ADP 21.5909
698 3WY9 GDP 21.875
699 1Z2A GDP 22.0238
700 1P72 ADP 22.1591
701 5AK0 8V1 22.7273
702 2WHX ADP 23.2955
703 4D0N GDP 23.8636
704 2BIF SIN 23.8636
705 2BIF ANP 23.8636
706 1IN4 ADP 25
707 4ZI2 GNP 25.5639
708 6BCB GSP 26.0274
709 1FP6 ADP 26.7045
710 4WZA ACP 26.7045
711 4WZA ADP 26.7045
712 4QRH 0O2 27.8409
713 4E03 ADP 28.9773
714 3W5J GDP 30.6818
715 2VOH CIT 30.7692
716 5LEF GTP 31.25
717 5UWS GNP 31.8182
718 1JJ7 ADP 35.7955
719 1IHU AF3 46.0227
720 1IHU ADP 46.0227
721 5UWU GNP 50
Pocket No.: 2; Query (leader) PDB : 4BQS; Ligand: ADP; Similar sites found with APoc: 720
This union binding pocket(no: 2) in the query (biounit: 4bqs.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1F9V ADP None
2 5GVR LMR None
3 1VG1 GDP None
4 4WG0 CHD None
5 3IUY AMP None
6 4RJD TFP None
7 2B4B COA None
8 5H4S RAM None
9 1VG8 GNP None
10 3RV5 DXC None
11 1VBO MAN MAN MAN None
12 2ZX2 RAM None
13 3BFX A3P None
14 6F7X MFU None
15 3BU1 HSM None
16 3ZW0 FUC None
17 5XNA SHV None
18 2NLQ GLY None
19 5CXX FER None
20 4LZB URA 1.13636
21 5KSP GDP 1.70455
22 3BER AMP 1.70455
23 2Z5F A3P 1.70455
24 2UW1 GVM 1.70455
25 1SAZ ACP 1.70455
26 4HDO GNP 1.79641
27 2GDJ ANP 2.27273
28 1XP8 AGS 2.27273
29 1U0J ADP 2.27273
30 4P4T GDP 2.27273
31 1D2N ANP 2.27273
32 5CIC 51R 2.27273
33 2QQ0 THM 2.27273
34 2AJ4 ANP 2.27273
35 3U6B GDP 2.84091
36 1D8T GDP 2.84091
37 4G5G GDP 2.84091
38 1D2E GDP 2.84091
39 5W76 GDP 2.84091
40 5JBQ GDP 2.84091
41 5W7Q GDP 2.84091
42 3U6K GDP 2.84091
43 3EZ2 ADP 2.84091
44 5W75 GDP 2.84091
45 1Q7E MET 2.84091
46 5W75 SUC 2.84091
47 2BVN GNP 2.84091
48 1VKJ A3P 2.84091
49 5OSW DIU 2.84091
50 1H65 GDP 2.84091
51 3FYH ADP 2.84091
52 1UJ2 C5P 2.84091
53 2C77 GNP 2.84091
54 1UJ2 ADP 2.84091
55 2C78 GNP 2.84091
56 2B8T THM 2.84091
57 4CSD MFU 2.84091
58 4D1J DGJ 2.84091
59 3WSG CIT 2.84091
60 3FKQ ATP 3.21716
61 1T5C ADP 3.40909
62 3LRE ADP 3.40909
63 1BG2 ADP 3.40909
64 1DAR GDP 3.40909
65 2FSH ANP 3.40909
66 5LB3 ADP 3.40909
67 3BOS CDP 3.40909
68 3KJI ADP 3.40909
69 1TQ4 GDP 3.40909
70 4UCC ZKW 3.40909
71 3QF7 ANP 3.40909
72 5J1S ATP 3.40909
73 5I34 GDP 3.40909
74 4KVG GTP 3.40909
75 3KC1 2T6 3.40909
76 4N4J HG1 3.40909
77 2P4S DIH 3.40909
78 1OYJ GSH 3.40909
79 3H86 AP5 3.40909
80 3M6P BB2 3.40909
81 6A20 ADP 3.97727
82 5U32 GDP 3.97727
83 3EWA ANP 3.97727
84 4IHQ ADP 3.97727
85 2ZFI ADP 3.97727
86 5ZBR ANP 3.97727
87 2PL3 ADP 3.97727
88 1NRJ GTP 3.97727
89 1KY3 GDP 3.97727
90 3T1O GDP 3.97727
91 4KBF AMP 3.97727
92 1QHG ATP 3.97727
93 5VGR GDP 3.97727
94 2Q8M AMP 3.97727
95 2WOJ ADP ALF 3.97727
96 3ZS9 ADP ALF 3.97727
97 2OWZ CIT 3.97727
98 3HQP FDP 3.97727
99 4LBP 1WG 4
100 1KAO GDP 4.19162
101 5Z2M GTP 4.34783
102 3COB ADP 4.54545
103 1B0U ATP 4.54545
104 4AG5 ADP 4.54545
105 2W58 ADP 4.54545
106 1V8K ANP 4.54545
107 3P4X ADP 4.54545
108 4ZNL BEF ADP 4.54545
109 2J0V GDP 4.54545
110 2ZTS ADP 4.54545
111 4YJ1 ADP 4.54545
112 3IO3 ADP 4.54545
113 5I0H ADP BEF 4.54545
114 5JCP GDP ALF 4.54545
115 5J6Y GLC 4.54545
116 5J6Y BGC 4.54545
117 4RD0 GDP 4.54545
118 1G7C 5GP 4.54545
119 2J5V PCA 4.54545
120 2GMV UN8 4.54545
121 4F06 PHB 4.54545
122 2QCX PF1 4.54545
123 4IOK XPO 4.54545
124 1SVM ATP 4.54545
125 5LLB 6YZ 4.54545
126 2I4I AMP 4.54545
127 1NHX FTB 4.54545
128 4IOK ADP 4.54545
129 1NHX PEP 4.54545
130 3BD9 A3P 4.54545
131 2GMV PEP 4.54545
132 2JK0 ASP 4.54545
133 3UWB BB2 4.54545
134 1NST A3P 4.54545
135 2IYL GDP 4.57746
136 1GUA GNP 4.93827
137 2VVG ADP 5.11364
138 2CBZ ATP 5.11364
139 1JI0 ATP 5.11364
140 5TSH ADP 5.11364
141 5LTJ ADP 5.11364
142 2RCN GDP 5.11364
143 4LC1 GDP 5.11364
144 5TSH ANP 5.11364
145 5BQ5 ADP BEF 5.11364
146 2XAU ADP 5.11364
147 1I4D GDP 5.11364
148 1DS6 GDP 5.11364
149 4IEE AGS 5.11364
150 1XMV ADP 5.11364
151 5LTJ BEF 5.11364
152 5L3W GDP 5.11364
153 2WMO GTP 5.11364
154 5MZN ADP 5.11364
155 4DID GDP 5.11364
156 1RYH GNP 5.11364
157 6B8B ADP 5.11364
158 5EXT ADP 5.11364
159 1A4R GNH 5.11364
160 4BAS GNP 5.11364
161 3LXR GDP 5.11364
162 5YLF BGC 5.11364
163 2OZE AGS 5.11364
164 1A4R GDP 5.11364
165 2GCO GNP 5.11364
166 4XSH GSP 5.11364
167 5NM7 GLY 5.11364
168 3TMK T5A 5.11364
169 4U5X GNP 5.11364
170 5HPY GDP 5.11364
171 2GCN GDP 5.11364
172 2ZJ5 ADP 5.11364
173 3QXC ATP 5.11364
174 2WKQ GTP 5.11364
175 3ZQ6 ADP ALF 5.11364
176 1KMQ GNP 5.11364
177 5UPK GNP 5.11364
178 1MH1 GNP 5.11364
179 4GOX A3P 5.11364
180 4XFR CIT 5.11364
181 1NF3 GNP 5.11364
182 2FJK 13P 5.11364
183 1E96 GTP 5.11364
184 1Z0K GTP 5.23256
185 4KFU ACP 5.68182
186 4LPS GDP 5.68182
187 4P3Y GDP 5.68182
188 2IS6 ADP 5.68182
189 1SVI GDP 5.68182
190 4PX9 ADP 5.68182
191 5XDR ADP 5.68182
192 4JLV ADP 5.68182
193 3A1S GDP 5.68182
194 4V03 ADP 5.68182
195 6FAA ADP 5.68182
196 4PJ3 ANP 5.68182
197 1HE1 AF3 5.68182
198 1W7J ADP BEF 5.68182
199 5VHC BEF ADP 5.68182
200 1CR1 TTP 5.68182
201 2A9K GDP 5.68182
202 2YOH WMJ 5.68182
203 3FIU POP 5.68182
204 2IXE ATP 5.68182
205 4ZDJ UTP 5.68182
206 1OYY AGS 5.68182
207 4R2I ANP 5.68182
208 5X40 ACP 5.68182
209 1L2T ATP 5.68182
210 2FJU GSP 5.68182
211 1HE1 GDP 5.68182
212 4NON GDP 5.68182
213 4WBD CIT 5.68182
214 4TMK T5A 5.68182
215 2X7I CIT 5.68182
216 2BME GNP 5.68182
217 5EE7 5MV 5.68182
218 3K5I AIR 5.68182
219 5CX8 TG6 5.68182
220 4LH7 NMN 5.68182
221 4XOI GTP 5.68182
222 3SBD GNP 5.68182
223 1B7T ADP 5.76923
224 1KK8 BEF ADP 5.84416
225 5Z69 AGS 5.91398
226 1U8Z GDP 5.95238
227 2WJH GDP 6.0241
228 2WJH FLC 6.0241
229 1DTL BEP 6.21118
230 1G6H ADP 6.25
231 1F6B GDP 6.25
232 3WYA GDP 6.25
233 3BFV ADP 6.25
234 1SKQ GDP 6.25
235 3TBK ANP 6.25
236 4QOS ADP 6.25
237 2D7D ADP 6.25
238 2NGR GDP 6.25
239 3FB4 AP5 6.25
240 2FH5 GTP 6.25
241 1M7G ADX 6.25
242 1AKY AP5 6.25
243 2XTN GTP 6.25
244 2ZPA ADP 6.25
245 2NGR AF3 6.25
246 1M7G ADP 6.25
247 1XKV ATP 6.25
248 1M7B GTP 6.25
249 1GWN GTP 6.25
250 3R7F CP 6.25
251 3BC1 GNP 6.25
252 1YTM ATP 6.25
253 2Q2Y MKR 6.25
254 2Q2Y ADP 6.25
255 1M7G AV2 6.25
256 4ZKD GDP 6.25
257 5G1N PAL 6.25
258 3Q85 GNP 6.50888
259 4JLS 3ZE 6.57895
260 3T12 GDP ALF 6.61765
261 2AWN ADP 6.81818
262 2NCD ADP 6.81818
263 3DC4 ADP 6.81818
264 4YMU ATP 6.81818
265 2CJW GDP 6.81818
266 1OXV ANP 6.81818
267 1YZG GDP 6.81818
268 4R98 GNH 6.81818
269 5FTB ANP 6.81818
270 5IRN ADP 6.81818
271 1G4U AF3 6.81818
272 1WDT GTP 6.81818
273 5FHD ADP ALF 6.81818
274 1UKZ ADP 6.81818
275 1GRN AF3 6.81818
276 5XC5 GTP 6.81818
277 1GRN GDP 6.81818
278 5IRC GDP 6.81818
279 1G4U GDP 6.81818
280 1OW3 GDP 6.81818
281 3FVQ ATP 6.81818
282 1M2O GNP 6.81818
283 5H67 ATP 6.81818
284 6DEF GCP 6.81818
285 5LV1 78T 6.81818
286 1F5N GNP 6.81818
287 1TX4 ALF GDP 6.81818
288 1OE0 TTP 6.81818
289 3AB4 THR 6.81818
290 5H68 AGS 6.81818
291 1SQL GUN 6.84932
292 1CXZ GSP 6.97674
293 2KIN ADP 7
294 4WOP CTP 7.11111
295 2QTV GNP 7.18563
296 3Q72 GNP 7.22892
297 6BC0 GSP 7.33333
298 5TQZ GLC 7.33333
299 1YQT ADP 7.38636
300 3NHB ADP 7.38636
301 5YV5 ADP 7.38636
302 3UIE ANP 7.38636
303 3B5J 12D 7.38636
304 3GJ3 GDP 7.38636
305 3GJ7 GDP 7.38636
306 3GJ4 GDP 7.38636
307 3GJ0 GDP 7.38636
308 1MKY GDP 7.38636
309 5FG3 GDP 7.38636
310 5YT0 GDP 7.38636
311 5BXQ GDP 7.38636
312 3CH5 GDP 7.38636
313 3GJ5 GDP 7.38636
314 3GJ8 GDP 7.38636
315 3E70 GDP 7.38636
316 4DCT GDP 7.38636
317 1SQ5 ADP 7.38636
318 4R43 GDP 7.38636
319 3DZD ADP 7.38636
320 2PEZ DAT 7.38636
321 2PEZ GGZ 7.38636
322 6B4K ANP 7.38636
323 4H1V GNP 7.38636
324 5M7P ADP 7.38636
325 5KSZ GCP 7.38636
326 3AB3 GDP 7.38636
327 2CHG ANP 7.38636
328 4ITR GDP 7.38636
329 5IRR GSP 7.38636
330 4HAT GNP 7.38636
331 5DI9 GNP 7.38636
332 1RJ9 GCP 7.38636
333 1ZCB GDP 7.38636
334 5UWH GNP 7.38636
335 6AU6 GDP 7.38636
336 5UWW GNP 7.38636
337 5UWI GNP 7.38636
338 5UWQ GNP 7.38636
339 6CIT GNP 7.38636
340 5UWO GNP 7.38636
341 5UWR GNP 7.38636
342 3CX8 GSP 7.38636
343 5DIF GNP 7.38636
344 5DHF GNP 7.38636
345 5UWJ GNP 7.38636
346 5UWT GNP 7.38636
347 3M1I GTP 7.38636
348 4OHY ANP 7.38636
349 1IBR GNP 7.38636
350 1GPJ CIT 7.38636
351 3VMF GTP 7.38636
352