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Receptor
PDB id Resolution Class Description Source Keywords
4YLK 1.4 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF DYRK1A IN COMPLEX WITH 10-CHLORO-SUBSTI INDOLO[3,2-C]QUINOLONE-6-CARBOXYLIC ACID INHIBITOR 5S HOMO SAPIENS HALOGEN INHIBITOR STRUCTURAL GENOMICS STRUCTURAL GENOMICSCONSORTIUM SGC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: 10-IODO-11H-INDOLO[3,2-C]QUINOLINE-6-CARBOXYLIC ACI SELECTIVE INHIBITORS OF DYRK1A. J.MED.CHEM. V. 58 3131 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:516;
A:518;
A:509;
A:507;
A:514;
A:517;
A:513;
A:510;
A:515;
A:511;
A:508;
A:512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:506;
A:503;
A:501;
A:505;
A:502;
A:504;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
IOD A:520;
Invalid;
none;
submit data
126.904 I [I-]
4E2 A:519;
Valid;
none;
ic50 = 0.18 uM
422.604 C16 H8 Cl I N2 O2 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A1G 2.15 Å EC: 2.7.12.1 CRYSTAL STRUCTURE OF HUMAN DYRK1A IN COMPLEX WITH COMPOUND 3 HOMO SAPIENS DYRK1A TRANSFERASE
Ref.: DISCOVERY OF DS42450411 AS A POTENT ORALLY ACTIVE H PRODUCTION INHIBITOR: DESIGN AND OPTIMIZATION OF NO 4-AMINOPYRIMIDINE DERIVATIVES. BIOORG. MED. CHEM. LETT. V. 28 3333 2018
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5A4T ic50 = 1.3 uM AJG C10 H7 N3 O S CC(=O)N=C1....
2 5A4Q ic50 = 2.9 uM Y3L C9 H7 Cl N2 O S CC(=O)Nc1n....
3 6EIQ Ki = 383 nM B6Z C22 H25 N5 O2 S CN1CCN(CC1....
4 6EIF Ki = 104 nM B5T C18 H14 N4 O2 S c1cc(cnc1)....
5 6A1F ic50 = 0.33 uM 9OF C15 H17 N3 O CC1(Cc2cc(....
6 5A3X ic50 = 0.8 uM QIV C9 H8 N2 O2 S CC(=O)Nc1n....
7 4YLK ic50 = 0.18 uM 4E2 C16 H8 Cl I N2 O2 c1cc2c3c(c....
8 6A1G ic50 = 0.054 uM 9OL C21 H26 N4 CC1(Cc2cc(....
9 6EIL - B6B C17 H15 N5 O2 COc1ccc(cc....
10 6EIS Ki = 252 nM B6N C22 H12 F4 N4 O c1cc2c(cc1....
11 4MQ1 - 2C3 C25 H22 Cl2 N6 O4 COc1ncc2c(....
12 6EIJ Ki = 1680 nM B5Z C23 H26 N6 O3 S c1cc(cc(c1....
13 4YLL ic50 = 0.12 uM 4E3 C16 H8 Br I N2 O2 c1cc2c3c(c....
14 6EIR Ki = 575 nM B6H C25 H30 N6 O3 S CCC(=O)Nc1....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5A4T ic50 = 1.3 uM AJG C10 H7 N3 O S CC(=O)N=C1....
2 5A4Q ic50 = 2.9 uM Y3L C9 H7 Cl N2 O S CC(=O)Nc1n....
3 6EIQ Ki = 383 nM B6Z C22 H25 N5 O2 S CN1CCN(CC1....
4 6EIF Ki = 104 nM B5T C18 H14 N4 O2 S c1cc(cnc1)....
5 6A1F ic50 = 0.33 uM 9OF C15 H17 N3 O CC1(Cc2cc(....
6 5A3X ic50 = 0.8 uM QIV C9 H8 N2 O2 S CC(=O)Nc1n....
7 4YLK ic50 = 0.18 uM 4E2 C16 H8 Cl I N2 O2 c1cc2c3c(c....
8 6A1G ic50 = 0.054 uM 9OL C21 H26 N4 CC1(Cc2cc(....
9 6EIL - B6B C17 H15 N5 O2 COc1ccc(cc....
10 6EIS Ki = 252 nM B6N C22 H12 F4 N4 O c1cc2c(cc1....
11 4MQ1 - 2C3 C25 H22 Cl2 N6 O4 COc1ncc2c(....
12 6EIJ Ki = 1680 nM B5Z C23 H26 N6 O3 S c1cc(cc(c1....
13 4YLL ic50 = 0.12 uM 4E3 C16 H8 Br I N2 O2 c1cc2c3c(c....
14 6EIR Ki = 575 nM B6H C25 H30 N6 O3 S CCC(=O)Nc1....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5A4T ic50 = 1.3 uM AJG C10 H7 N3 O S CC(=O)N=C1....
2 5A4Q ic50 = 2.9 uM Y3L C9 H7 Cl N2 O S CC(=O)Nc1n....
3 6EIQ Ki = 383 nM B6Z C22 H25 N5 O2 S CN1CCN(CC1....
4 6EIF Ki = 104 nM B5T C18 H14 N4 O2 S c1cc(cnc1)....
5 6A1F ic50 = 0.33 uM 9OF C15 H17 N3 O CC1(Cc2cc(....
6 5A3X ic50 = 0.8 uM QIV C9 H8 N2 O2 S CC(=O)Nc1n....
7 4YLK ic50 = 0.18 uM 4E2 C16 H8 Cl I N2 O2 c1cc2c3c(c....
8 6A1G ic50 = 0.054 uM 9OL C21 H26 N4 CC1(Cc2cc(....
9 6EIL - B6B C17 H15 N5 O2 COc1ccc(cc....
10 6EIS Ki = 252 nM B6N C22 H12 F4 N4 O c1cc2c(cc1....
11 4MQ1 - 2C3 C25 H22 Cl2 N6 O4 COc1ncc2c(....
12 6EIJ Ki = 1680 nM B5Z C23 H26 N6 O3 S c1cc(cc(c1....
13 4YLL ic50 = 0.12 uM 4E3 C16 H8 Br I N2 O2 c1cc2c3c(c....
14 6EIR Ki = 575 nM B6H C25 H30 N6 O3 S CCC(=O)Nc1....
15 6FYR - EAQ C20 H21 N6 O CC(C)(C)c1....
16 6FT7 - E6Q C16 H10 N2 O c1ccc(cc1)....
17 6FYP ic50 = 143 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
18 6FYV ic50 = 11 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
19 6FYL ic50 = 7 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
20 4IFC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 4IIR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 4IJP ic50 = 0.016 uM 1EH C20 H14 Cl N3 O2 S2 c1cc(c2cc(....
23 6FT8 - E6T C16 H10 N2 O2 c1cc(cc(c1....
24 5J1W ic50 = 0.19 uM 6FB C11 H8 N4 c1cncc2c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4E2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4E2 1 1
2 4E3 0.705882 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A1G; Ligand: 9OL; Similar sites found with APoc: 589
This union binding pocket(no: 1) in the query (biounit: 6a1g.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZXE PGZ None
2 5MT9 SRO None
3 2X1L MET 1.38889
4 2V58 LZJ 1.66667
5 5YJS SAL 1.66667
6 4XFR CIT 1.66667
7 3E7S AT2 1.66667
8 1F9V ADP 1.72911
9 1W8S FBP 1.90114
10 2PYW ADP 1.94444
11 5MRH Q9Z 1.94444
12 3HQP OXL 1.94444
13 5AVF TAU 1.94553
14 6MFL OPV 1.94805
15 4LCN GNG 2.03046
16 6EAC ANP 2.04918
17 3S6X SIA GAL BGC 2.15385
18 4C5N ACP 2.17391
19 4LSY FLC 2.1978
20 2BMB PMM 2.22222
21 4FE2 ADP 2.22222
22 4FE2 AIR 2.22222
23 2IF8 ADP 2.22222
24 3BOF HCS 2.22222
25 6EOM ALA LYS 2.22222
26 2YP9 SIA CMO 2.22222
27 1Q8A HCS 2.22222
28 1EB9 HBA 2.29008
29 4I94 ANP 2.33333
30 3OQJ 3CX 2.33463
31 4O4F ATP 2.41935
32 4O4F IHP 2.41935
33 5HV7 RBL 2.5
34 5EQY 5RA 2.5
35 3TII ANP 2.5
36 3V4S ATP 2.5
37 3V4S ADP 2.5
38 3A16 PXO 2.5
39 6HSP CO8 2.5
40 2ORO 228 2.5
41 1XDN ATP 2.52708
42 1GSA ADP 2.53165
43 1SDW IYT 2.54777
44 4PO2 ASN ARG LEU LEU LEU THR GLY 2.55319
45 3VOT ADP 2.58824
46 3HPY MCT 2.589
47 4RDL FUC GAL NDG FUC 2.5974
48 2ATJ BHO 2.5974
49 1OBD ATP 2.61438
50 4GLW 0XT 2.62295
51 3NZ1 3NY 2.68199
52 2G30 ALA ALA PHE 2.71318
53 1NXJ TLA 2.73224
54 2VDF OCT 2.7668
55 3X01 AMP 2.77778
56 1M0W ANP 2.77778
57 5G48 1FL 2.77778
58 3ORQ ADP 2.77778
59 5DXT 5H5 2.77778
60 1EHI ADP 2.77778
61 1KC7 PPR 2.77778
62 2Z3U CRR 2.77778
63 4LH7 1X8 2.78638
64 1IA9 ANP 2.85714
65 1I7L ATP 2.91262
66 5IH1 GDP 2.98013
67 5IH1 6BQ 2.98013
68 5NM7 GLY 3.00752
69 3I9U DTU 3.04183
70 3WVR AMP 3.05556
71 3K5I ADP 3.05556
72 3K5I AIR 3.05556
73 4OKD GLC GLC GLC 3.05556
74 4UWH JXM 3.05556
75 4NOS ITU 3.05556
76 1RZX ACE VAL LYS GLU SER LEU VAL 3.06122
77 5D63 FUC GLA GLA 3.07167
78 5H9P TD2 3.16456
79 2Q7D ANP 3.17919
80 1EXF GLY 3.30579
81 4PZ6 GMP 3.33333
82 5AE9 OKO 3.33333
83 5W75 SUC 3.33333
84 4U98 ACP 3.33333
85 4GYI ADP 3.33333
86 6EZ6 C5Z 3.33333
87 5IM3 DTP 3.33333
88 2QHV OC9 3.33333
89 2HGS ADP 3.33333
90 3T1A 5MA 3.33333
91 4R9F BMA BMA 3.33333
92 3NOJ PYR 3.36134
93 2GQR ADP 3.37553
94 2GQS ADP 3.37553
95 2GQS C2R 3.37553
96 4NFE BEN 3.37553
97 1Z2P ACP 3.39506
98 1Z2P I3S 3.39506
99 2AQX ATP 3.46021
100 2ET1 GLV 3.48259
101 5C8W PCG 3.4965
102 4XBA 5GP 3.5
103 2FB3 MET 3.52941
104 6E8I PTR 3.5503
105 6FOF LAT 3.57143
106 4ZS4 ATP 3.58306
107 3OCP CMP 3.59712
108 6FL8 TIY 3.61111
109 6FL8 ADP 3.61111
110 3UDZ ADP 3.61111
111 4ZGP ADP 3.61111
112 5OLK DTP 3.61111
113 2YW2 ATP 3.61111
114 1VRP ADP 3.61111
115 3KAL ADP 3.61111
116 1T36 ADP 3.61111
117 5FCF GLY GLY GLY 3.61111
118 1TZD ADP 3.63636
119 5OES ADP 3.72671
120 1GT4 UNA 3.77358
121 1OGX EQU 3.81679
122 6BU0 IHP 3.81679
123 5HWV MBN 3.84615
124 2OVD DAO 3.84615
125 1PK8 ATP 3.88889
126 5VZ0 ADP 3.88889
127 4MZU TDR 3.88889
128 3R4S SLB 3.88889
129 3VPC ADP 3.90071
130 5C1P ADP 3.92157
131 4KU7 PCG 3.92157
132 5C1P DAL DAL 3.92157
133 3PDT ADP 4
134 3SHR CMP 4.01338
135 5FI4 5XV 4.02477
136 4EZW ASN ARG LEU LEU LEU THR GLY 4.10959
137 4D4U FUC GAL NAG 4.12698
138 3I0O ADP 4.12979
139 6C1S EFV 4.16667
140 4XJ6 GH3 4.16667
141 1I1E DM2 4.16667
142 2RIF AMP 4.25532
143 4XMF HSM 4.34783
144 3SBZ MLI 4.36508
145 1CBK ROI 4.375
146 3R51 MMA 4.375
147 2Z49 AMG 4.39815
148 2Z48 A2G 4.39815
149 5COU ATP 4.44444
150 6AC9 ANP 4.44444
151 1BWO LPC 4.44444
152 5JAX 6J7 4.44444
153 2QK4 ATP 4.44444
154 1U6R ADP 4.47368
155 4OUC 5ID 4.48179
156 6G34 5ID 4.48179
157 1AUX AGS 4.50161
158 1W2D 4IP 4.5283
159 1W2D ADP 4.5283
160 5HZX 2GE 4.54545
161 5VKM GAL SIA 4.62963
162 1ZTH ADP 4.65116
163 1ZP9 ATP 4.65116
164 3KIF GDL 4.71698
165 4OCJ NDG 4.72222
166 4CC6 L5Y 4.72222
167 4AZW ATP 4.72222
168 6GW4 CHO 4.72222
169 3PAK MAN 4.72973
170 2ZL7 FUC GAL NGA 4.74576
171 5TT6 ATP 4.82234
172 2GCG DGY 4.84848
173 4XDA RIB 4.85437
174 3T0X DIW 4.87805
175 4DFU QUE 4.96894
176 5C4L SIS 4.98442
177 5C4L 4XR 4.98442
178 5I35 ANP 5
179 5MW8 ATP 5
180 4OCV ANP 5
181 5VLQ ANP 5
182 5TDF ADP 5
183 1F52 ADP 5
184 4R38 RBF 5
185 2YRX AMP 5.09978
186 1CKM GTP 5.15152
187 1CKN GTP 5.15152
188 1BC5 ACE ASN TRP GLU THR PHE 5.20446
189 1IOW ADP 5.22876
190 1IOW PHY 5.22876
191 4BTV RB3 5.23256
192 4N4J HG1 5.27778
193 4WW7 AMP 5.36398
194 1MJT ITU 5.4755
195 3ZJX BOG 5.53633
196 3TY5 ATP 5.55556
197 3TY5 ADP 5.55556
198 4OFG PCG 5.55556
199 3DNT ATP 5.55556
200 2BKK ADP 5.68182
201 3TM0 ANP 5.70342
202 3TM0 B31 5.70342
203 4PU5 ANP 5.73951
204 4RYV ZEA 5.80645
205 4RF7 ARG 5.83333
206 1G51 AMP 5.83333
207 5CKW ANP 5.83333
208 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 5.83658
209 4LRJ ANP 5.91716
210 4P25 FUC GAL NAG FUC 5.96026
211 4NS0 PIO 6.01504
212 4D52 GIV 6.03175
213 2CFM AMP 6.11111
214 5LXB 7A9 6.19835
215 3RE4 TO1 6.20155
216 1WBI BTN 6.20155
217 6FA4 D1W 6.35838
218 4NZN ANP 6.36364
219 4NZN 2OU 6.36364
220 2IO8 ADP 6.38889
221 5JDA AMP 6.38889
222 2B6N ALA PRO THR 6.38889
223 3VPD ANP 6.40569
224 4JGP PYR 6.45161
225 5CIC 51R 6.48148
226 3IT7 TLA 6.59341
227 3WW2 SF9 6.64062
228 5IGI ZIT 6.64452
229 5IGI GMP 6.64452
230 4YRI 4JH 6.66667
231 2ZWS PLM 6.66667
232 2VQD AP2 6.68103
233 3HAV ATP 6.68896
234 4BQS ADP 6.81818
235 2XG5 EC2 6.88073
236 2XG5 EC5 6.88073
237 4B1M FRU FRU 7.02703
238 6DW2 HD4 7.05882
239 4Y24 TD2 7.14286
240 6CZI 38E 7.14286
241 5NC1 NAG 7.173
242 1NE6 SP1 7.22222
243 3FIU AMP 7.22892
244 5EJL C2E 7.25806
245 4AF5 CIT 7.36842
246 5AEW BNL 7.44681
247 5KJW 53C 7.49415
248 3Q60 ATP 7.5
249 3BP1 GUN 7.58621
250 3AKK ADP 7.69231
251 3ETH ATP 7.88732
252 1VBH PEP 8.05556
253 3WO0 ALA 8.05556
254 3WO0 ADP 8.05556
255 1RZ1 NAD 8.07453
256 3SAO DBH 8.125
257 2VWT PYR 8.2397
258 5DZT AMP 8.33333
259 5LXT ACP 8.39161
260 4R78 AMP 8.41424
261 4CS9 AMP 8.46561
262 2WBV SIA 8.46561
263 3PN1 IVH 8.49057
264 2YKL NLD 8.49057
265 4IX4 ADP 8.57143
266 1SWG BTN 8.59375
267 2OFW ADX 8.65385
268 2QX0 PH2 8.80503
269 5ZCT ANP 8.82353
270 2BS5 BGC GAL FUC 8.88889
271 4XYM A12 8.88889
272 1HFE CYS 8.94309
273 3CF6 SP1 8.98204
274 5EXK 5AD 9.06344
275 4CYI ATP 9.16667
276 6CGD GNP 9.18033
277 6CGD AKN 9.18033
278 3RGA LSB 9.18728
279 6E2B PT7 9.21053
280 5TWJ SAM 9.25926
281 5DYO FLU 9.43396
282 1KJ8 ATP 9.44444
283 1KJ8 GAR 9.44444
284 4X3R 686 9.44444
285 2C3W GLC GLC GLC GLC 9.80392
286 2GOO NDG 9.80392
287 5GZ9 ANP 9.83607
288 1TQP ATP 9.92908
289 3K6V CIT 10.1695
290 2VPQ ANP 10.2778
291 5A96 GTP 10.4418
292 3TPV ADE 10.5556
293 1F5F DHT 10.7317
294 4CLI 5P8 11.315
295 4R3U 5AD 11.6667
296 5KO1 6UY 12.0141
297 3QX9 ATP 12.3188
298 3PNA CMP 12.3377
299 1KDK DHT 12.4294
300 4WOE ADP 12.5
301 4WOE 3S5 12.5
302 6EHH 2GE 12.5
303 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 12.6087
304 3LQV ADE 12.8205
305 1E4E ADP 12.828
306 5T8O 76Z 12.894
307 3WG3 A2G GAL NAG FUC 12.9213
308 2XZ9 PYR 12.963
309 5K2M ADP 13.2075
310 4Y85 499 13.253
311 3TDV GDP 13.7255
312 4XZ3 ACP 13.913
313 1DZK PRZ 14.0127
314 3AB4 THR 14.0449
315 3VHE 42Q 14.2061
316 3W0O HY0 14.3266
317 3W0O ADP 14.3266
318 4IDT T28 14.7222
319 5M06 ADP 14.8551
320 1GG6 APL 15.2672
321 6GWR FEW 15.5556
322 5HCY 60D 15.71
323 2PUL ACP 15.8333
324 4O1P ANP 16.1111
325 1BHX ASP PHE GLU GLU ILE 16.1905
326 4USI AKG 16.2338
327 3C1X CKK 16.3889
328 4OAV ACP 16.9444
329 3LXN MI1 17.2956
330 3H0L ADP 18.0851
331 4GJ3 0XP 18.2119
332 2UV4 AMP 18.4211
333 5EOB 5QQ 18.4953
334 4A4X JUP 18.638
335 5WNL STU 18.7134
336 4E1Z 0MX 18.9003
337 5C03 AGS 19.0058
338 6BFN DL1 19.2982
339 3VPB ADP 19.6429
340 3FHR P4O 20.2381
341 4WOV 3SM 20.5047
342 5YK1 ANP 20.8333
343 4NPT 017 21.2121
344 4G17 0VN 21.8182
345 5CEO 50D 22
346 5FIT AP2 23.8095
347 4YZC STU 24.1667
348 4E93 GUI 24.1667
349 3VRY B43 26.1111
350 6ES0 BW8 26.183
351 4OH4 ANP 26.7267
352 5LPZ ADP 26.8072
353 5TA6 79D 26.8156
354 4XH0 ADP 26.9444
355 1VJY 460 27.0627
356 3KMW ATP 27.1318
357 3E8N ATP 27.2727
358 3E8N VRA 27.2727
359 1Y57 MPZ 27.5
360 2H8H H8H 27.5
361 5U6C 7YS 27.9365
362 2CSN CKI 27.9461
363 5VCV 1N1 28.2958
364 2RIO ADP 28.3333
365 5NKB 8ZT 28.4314
366 3H9R TAK 28.4848
367 3UIM ANP 28.5276
368 2V7O DRN 28.5714
369 4FL3 ANP 28.6111
370 3FC2 IBI 28.6567
371 6GQM F8H 28.6585
372 1U5R ATP 28.7356
373 4EUU BX7 28.8401
374 4P5Z Q7M 28.8889
375 1OPK P16 28.8889
376 4DC2 ADE 28.8889
377 3NW7 LGV 28.9902
378 4Y8D 49J 29.1667
379 5JFS 6K0 29.2208
380 2WEL K88 29.3578
381 4BTK DTQ 29.3769
382 5LI1 ANP 29.3785
383 4PNI KQQ 29.4444
384 3V8S 0HD 29.4444
385 2YAB AMP 29.4444
386 4L9I 8PR 29.4444
387 5LI9 ACP 29.7143
388 5UIU 8CG 29.7214
389 2F2U M77 29.7222
390 4WNK 453 29.7222
391 4Y93 746 29.7222
392 1K3A ACP 29.7659
393 4U0I 0LI 29.8413
394 3C0G 3AM 29.9145
395 2X2M X2M 29.9363
396 5QIN J2V 30.0633
397 5LPB ADP 30.0676
398 5WO4 B7V 30.1325
399 5IH9 6BF 30.1493
400 4N70 2HX 30.1829
401 4OTH DRN 30.2053
402 3LXK MI1 30.2752
403 1U59 STU 30.3136
404 4FF8 14S 30.3406
405 5VC5 96M 30.4498
406 3PP0 03Q 30.4734
407 4ASE AV9 30.5556
408 2VN9 GVD 30.5648
409 2OO8 RAJ 30.5994
410 3EKK GS2 30.6189
411 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 30.7018
412 2JDR L20 30.7018
413 3BU5 ATP 30.719
414 1IR3 ANP 30.719
415 6GZD LCI 30.8333
416 2R5T ANP 30.8333
417 4Y0X ADP 30.8333
418 2PZI AXX 30.8333
419 2PVF ACP 30.8383
420 5HES 032 30.9446
421 5DMZ ADP 31.1111
422 3PLS ANP 31.2081
423 2QLU ADE 31.2102
424 6GIN IR2 31.2292
425 3GQI ACP 31.2883
426 4U44 3D9 31.3253
427 3KN5 ANP 31.3846
428 3CY2 MB9 31.5287
429 3MVH WFE 31.5789
430 5Y80 IRE 31.6294
431 2VZ6 FEF 31.6294
432 3KRL KRL 31.6667
433 5DBX ANP 31.7073
434 3TXO 07U 31.728
435 5HVJ ANP 31.746
436 4K33 ACP 32
437 4BFM ANP 32.0359
438 4NFN 2KC 32.0388
439 5OKT 9XK 32.1656
440 5USZ SKE 32.1799
441 3HZT J60 32.2222
442 2QCS ANP 32.2857
443 5JGA 6KC 32.381
444 2J7T 274 32.4503
445 1XJD STU 32.4638
446 6C7Y ADP 32.5175
447 6F3G CJN 32.5424
448 1RE8 BD2 32.5714
449 3IDB ANP 32.5714
450 3FHI ANP 32.5714
451 4QMN DB8 32.5806
452 5W4W 9WG 32.6284
453 4KBA 1QM 32.6284
454 4EWH T77 32.7273
455 4X7Q 3YR 32.7778
456 3TKI S25 32.8173
457 6C0T EE4 32.853
458 4USF 6UI 32.8947
459 3RI1 3RH 32.9073
460 2HY0 306 32.9193
461 5H2U 1N1 32.9588
462 5UR1 YY9 33.119
463 1JPA ANP 33.3333
464 3PVW QRX 33.3333
465 3IGO ANP 33.3333
466 6CMJ F6J 33.3333
467 5UKL SIX 33.3333
468 6BXI ANP 33.3333
469 5DH3 5BS 33.3333
470 5AX9 4KT 33.4416
471 4I6H 1C8 33.4416
472 5MJA 7O3 33.4426
473 2XVD AS6 33.4437
474 4UXL 5P8 33.5404
475 4XV1 904 33.5616
476 5EKO N17 33.6111
477 3M2W L8I 33.7793
478 4AG8 AXI 33.8608
479 2ZV2 609 33.8926
480 4JR7 GNP 33.9572
481 5DEY 59T 34.0067
482 4BHN BH9 34.1317
483 3G5D 1N1 34.2657
484 4FG8 ATP 34.2857
485 2HK5 1BM 34.4444
486 2XK9 XK9 34.472
487 3GGF GVD 34.5515
488 1CM8 ANP 34.7222
489 3ORK AGS 34.7267
490 2PVN P63 34.9432
491 4UAL 3FV 35
492 4ONA UW1 35
493 5FBN 5WF 35.0554
494 4CQE CQE 35.2518
495 2F57 23D 35.3312
496 5JKG 6LF 35.3698
497 2Y6O 1N1 35.3952
498 2WQN ADP 35.4839
499 3AQV TAK 35.5072
500 4Q5H ANP 35.5263
501 5YF9 NIO 35.9882
502 6CQF F97 36.0269
503 5JZJ AN2 36.0269
504 4RFM 3P6 36.0902
505 3SRV S19 36.1011
506 1OUK 084 36.1111
507 4LOO SB4 36.1111
508 1PHK ATP 36.2416
509 4F4P 0SB 36.2637
510 4CRL C1I 36.3889
511 3DLS ADP 36.4179
512 2YAK OSV 36.4912
513 4YMJ 4EJ 36.5132
514 3GNI ATP 36.6667
515 5A6N U7E 36.7491
516 4NST ADP 36.7521
517 3DAK ANP 36.8966
518 1BYG STU 37.0504
519 5EFQ ADP 37.1758
520 4TWP AXI 37.2694
521 4YZN 4K5 37.2822
522 3SXS PP2 37.3134
523 2OFV 242 37.5451
524 5TO8 7FM 37.5887
525 4C2V YJA 37.8947
526 3RWP ABQ 37.9421
527 5LVP ATP 37.9421
528 5UPK ANP 38.3333
529 2A19 ANP 38.3803
530 3BZ3 YAM 38.4058
531 4G31 0WH 38.4615
532 6E2O S0L 38.6441
533 5EYK 5U5 39.1304
534 3SLS ANP 39.1447
535 5DRB 5FJ 39.1753
536 4WNP 3RJ 39.3728
537 1Q8Y ADP 39.4444
538 1Q8Y ADE 39.4444
539 5L8L ADP 39.6491
540 5G1X ADP 39.6491
541 4KS7 X4Z 39.726
542 5LXM ADP 39.9293
543 5ODT ADP 39.9293
544 2GU8 796 40
545 4WB6 ATP 40
546 4WB7 ATP 40
547 5EH0 5NW 40.3101
548 4L3L 5FI 40.4605
549 4M69 ANP 40.5751
550 5XVG 8FX 40.6143
551 3E7O 35F 40.8333
552 6CZ3 FLJ 40.9091
553 5OMY 9YE 41.4322
554 2WEI VGG 41.4634
555 5EW9 5VC 41.6974
556 4CSV STI 41.8182
557 2Z7R STU 42.0561
558 4F9C 0SX 42.1053
559 3E5A VX6 42.1642
560 3ALN ANP 42.2018
561 5AWM ANP 42.5
562 4QTB 38Z 42.7778
563 4H3P ANP 43.0556
564 3GC8 B45 43.0556
565 4AT3 LTI 43.1438
566 4IZY 1J2 43.3333
567 4UX9 ANP 43.3333
568 3TTI KBI 43.3333
569 4H3Q ANP 43.3333
570 4WHZ 3NL 43.3333
571 5BVE 4VG 43.3333
572 3PTG 932 43.3333
573 1ZY5 ANP 43.8944
574 4C2W ANP 44.2308
575 4NW6 2NS 44.8916
576 2JLD AG1 45
577 4NM5 ADP 45
578 3ZRM ZRM 45.2778
579 2B9H ADP 45.3258
580 2B9F ADP 45.3258
581 2B9I ADP 45.3258
582 2B9J ADP 45.3258
583 3F7Z 34O 46.8571
584 1O9U ADZ 47.1429
585 3GC0 AMP 48.0243
586 3PE2 E1B 48.0712
587 5MY8 RXZ 48.6111
588 2BPM 529 48.8673
589 4CFU 2WC 49.835
Pocket No.: 2; Query (leader) PDB : 6A1G; Ligand: 9OL; Similar sites found with APoc: 61
This union binding pocket(no: 2) in the query (biounit: 6a1g.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4MOB ADP 1.80723
2 5W0N UPU 1.94444
3 4HE2 AMP 2.07101
4 2FMD MAN MAN 2.08333
5 2XOC ADP 2.29885
6 1SO0 GAL 2.32558
7 3MI3 LYS 2.5
8 1T9D PYD 2.5
9 4C2C ALA ALA ALA 2.77778
10 4FMS BDP 2.77778
11 2X3J ATP 2.77778
12 5WBF LAC 2.96296
13 4V36 LYN 2.98507
14 3JU6 ANP 3.33333
15 2QHS OCA 3.37553
16 3EM1 TYD 3.42466
17 4OIT MAN 3.53982
18 5X7Q GLC GLC GLC GLC 3.61111
19 5X7Q GLC GLC GLC GLC GLC 3.61111
20 4GC1 MAN MAN 3.61111
21 3VSV XYS 3.61111
22 3CBC DBS 4.0404
23 2TOH HBI 4.08163
24 2IGA XX3 4.16667
25 2IGA XXP 4.16667
26 5FS0 5JC 4.2654
27 43CA NPO 4.2735
28 3GD8 GOL 4.4843
29 6GR0 F8W 4.5977
30 2RDE C2E 4.78088
31 1IGW PYR 5
32 3KMT SAH 5.04202
33 4XJ7 ADE 5.24345
34 1RDL MMA 5.30973
35 1VKF CIT 5.31915
36 4ZU4 4TG 5.40541
37 4M44 SIA GAL NAG GAL 5.49451
38 5W10 CMP 5.55556
39 2GEK GDP 5.83333
40 3OYW TDG 5.97015
41 1MDC PLM 6.06061
42 1RQH PYR 6.11111
43 3ZO7 K6H 6.38298
44 1KJ1 MAN 6.42202
45 1NBU PH2 6.72269
46 2CDO GAL AAL GAL AAL GAL AAL 6.875
47 5NW7 9C2 7.5
48 3E3U NVC 7.61421
49 2P7Q GG6 8.27068
50 4IA6 EIC 8.33333
51 1MFI FHC 8.77193
52 2O1C PPV 9.33333
53 5B09 4MX 10.5769
54 1PVC ILE SER GLU VAL 11.3889
55 4JLS 3ZE 12.5
56 2HKA C3S 13.8462
57 2DTJ THR 14.0449
58 4HIA FMN 14.2045
59 1VC9 ATP 16.6667
60 1LTT GAL BGC 17.0732
61 4NST AF3 36.7521
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