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Receptor
PDB id Resolution Class Description Source Keywords
5IV4 1.79 Å EC: 4.6.1.1 CRYSTAL STRUCTURE OF THE HUMAN SOLUBLE CYCLASE IN COMPLEX WI ALLOSTERIC INHIBITOR LRE1 HOMO SAPIENS HUMAN SOLUBLE ADENYLYL CYCLASE COMPLEX LRE1 INHIBITOR LYASE
Ref.: DISCOVERY OF LRE1 AS A SPECIFIC AND ALLOSTERIC INHI SOLUBLE ADENYLYL CYCLASE. NAT.CHEM.BIOL. V. 12 838 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:512;
A:509;
A:511;
A:510;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
EDO A:505;
A:504;
A:507;
A:506;
A:508;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ACT A:503;
A:502;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PEG A:514;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
LRI A:501;
Valid;
none;
submit data
280.776 C12 H13 Cl N4 S c1cc(...
GOL A:515;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL A:513;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OYA 2.03 Å EC: 4.6.1.1 HUMAN SOLAC COMPLEXED WITH (4-AMINOFURAZAN-3-YL)-[3-(1H-BENZ 2-YLMETHOXY)PHENYL]METHANONE HOMO SAPIENS LYASE
Ref.: CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLATE CYCLAS A DISTINCT, HIGHLY FLEXIBLE ALLOSTERIC BICARBONATE POCKET. CHEMMEDCHEM V. 9 823 2014
Members (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4CLP Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4CLW - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 4OZ3 ic50 = 28 uM 1Z8 C10 H7 F3 N2 c1ccc(cc1)....
4 5D0R Kd = 0.43 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
5 4CLK - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5IV3 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
7 4OYA ic50 = 0.36 uM 1VE C17 H13 N5 O3 c1ccc2c(c1....
8 4OYO - 1WC C10 H9 Cl N2 Cc1c(cn[nH....
9 4CLT Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
10 4OYP - BZ2 C9 H6 O3 c1ccc2c(c1....
11 4OYM ic50 = 11 uM 1ZC C10 H9 N3 O3 COc1cccc(c....
12 4USU - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
13 4CLZ - 4DS C16 H10 N2 O6 S4 c1cc(c(cc1....
14 5IV4 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
15 4OYI ic50 = 19 uM 1VK C9 H7 N3 O2 c1ccc(cc1)....
16 4USW Kd = 2.03 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZ2 - 1Z6 C10 H9 F N2 Cc1c(c[nH]....
18 4OYB ic50 = 1.6 uM 1VJ C13 H13 N3 O5 CCOC(=O)CO....
19 4OYX - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4CLP Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4CLW - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 4OZ3 ic50 = 28 uM 1Z8 C10 H7 F3 N2 c1ccc(cc1)....
4 5D0R Kd = 0.43 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
5 4CLK - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5IV3 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
7 4OYA ic50 = 0.36 uM 1VE C17 H13 N5 O3 c1ccc2c(c1....
8 4OYO - 1WC C10 H9 Cl N2 Cc1c(cn[nH....
9 4CLT Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
10 4OYP - BZ2 C9 H6 O3 c1ccc2c(c1....
11 4OYM ic50 = 11 uM 1ZC C10 H9 N3 O3 COc1cccc(c....
12 4USU - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
13 4CLZ - 4DS C16 H10 N2 O6 S4 c1cc(c(cc1....
14 5IV4 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
15 4OYI ic50 = 19 uM 1VK C9 H7 N3 O2 c1ccc(cc1)....
16 4USW Kd = 2.03 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZ2 - 1Z6 C10 H9 F N2 Cc1c(c[nH]....
18 4OYB ic50 = 1.6 uM 1VJ C13 H13 N3 O5 CCOC(=O)CO....
19 4OYX - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4CLP Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4CLW - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 4OZ3 ic50 = 28 uM 1Z8 C10 H7 F3 N2 c1ccc(cc1)....
4 5D0R Kd = 0.43 uM B1T C12 H6 Cl4 O2 S c1c(cc(c(c....
5 4CLK - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5IV3 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
7 4OYA ic50 = 0.36 uM 1VE C17 H13 N5 O3 c1ccc2c(c1....
8 4OYO - 1WC C10 H9 Cl N2 Cc1c(cn[nH....
9 4CLT Ki = 54.2 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
10 4OYP - BZ2 C9 H6 O3 c1ccc2c(c1....
11 4OYM ic50 = 11 uM 1ZC C10 H9 N3 O3 COc1cccc(c....
12 4USU - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
13 4CLZ - 4DS C16 H10 N2 O6 S4 c1cc(c(cc1....
14 5IV4 - LRI C12 H13 Cl N4 S c1cc(sc1)C....
15 4OYI ic50 = 19 uM 1VK C9 H7 N3 O2 c1ccc(cc1)....
16 4USW Kd = 2.03 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4OZ2 - 1Z6 C10 H9 F N2 Cc1c(c[nH]....
18 4OYB ic50 = 1.6 uM 1VJ C13 H13 N3 O5 CCOC(=O)CO....
19 4OYX - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LRI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LRI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OYA; Ligand: 1VE; Similar sites found with APoc: 436
This union binding pocket(no: 1) in the query (biounit: 4oya.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5CLO NS8 None
3 4I67 G G G RPC None
4 5N8V KZZ None
5 4NV7 COA 0.961538
6 5UGH 8AJ 1.00756
7 5MRH Q9Z 1.2766
8 3UNG ADP 1.2766
9 5DMZ ADP 1.36986
10 5U97 PIT 1.48936
11 1CT9 AMP 1.48936
12 4ARE FLC 1.48936
13 3LXN MI1 1.57233
14 5C9P FUC 1.5748
15 2WQN ADP 1.6129
16 5LRT ADP 1.70213
17 3THR C2F 1.70648
18 4E1Z 0MX 1.71821
19 5YJS SAL 1.79487
20 3E7S AT2 1.85615
21 4XFR CIT 1.87354
22 1LSH PLD 1.88088
23 2VL1 GLY GLY 1.91489
24 4WNK 453 1.91489
25 4PJ3 ANP 1.91489
26 3FWN 6PG 1.91489
27 4OKZ 3E9 1.91781
28 4N6H EJ4 1.93237
29 2R5V HHH 1.96078
30 2RDE C2E 1.99203
31 6H8S FSZ 1.99336
32 3PLS ANP 2.01342
33 2OZ5 7XY 2.02703
34 4OTH DRN 2.05279
35 3ZJX BOG 2.07612
36 3TII ANP 2.10526
37 2Z3U CRR 2.11765
38 3RGA LSB 2.12014
39 5MW8 ATP 2.12766
40 2YAB AMP 2.21607
41 4BG4 ADP 2.24719
42 2B9J ADP 2.26629
43 2VHL GLP 2.27273
44 4ZS4 ATP 2.28013
45 4WB6 ATP 2.28571
46 2R09 4IP 2.30548
47 2R0D 4IP 2.30548
48 6C0T EE4 2.30548
49 4RW3 SHV 2.31788
50 4WOE ADP 2.34043
51 3UDZ ADP 2.34043
52 5V59 8X1 2.34043
53 3B6R ADP 2.3622
54 4RD0 GDP 2.40964
55 2WKQ FMN 2.40964
56 4K55 H6P 2.41935
57 5J47 6JJ 2.41935
58 1K0E TRP 2.42826
59 5JCJ 6JM 2.43056
60 3JQ9 AX1 2.43056
61 4IZY 1J2 2.43902
62 4K33 ACP 2.46154
63 3CQL NAG 2.46914
64 3CQL NDG 2.46914
65 4UX9 ANP 2.47253
66 4K3H 1OM 2.54237
67 3PDT ADP 2.54545
68 2W90 6PG 2.55319
69 5A6B OAN 2.55319
70 2PX6 DH9 2.55319
71 4B0T ADP 2.55319
72 5LVP ATP 2.57235
73 1F9V ADP 2.59366
74 3SHZ 5CO 2.59366
75 6C1R EFD 2.60664
76 5AZC PGT 2.66667
77 2GWH PCI 2.68456
78 3P7N FMN 2.71318
79 5HC0 NPO 2.73973
80 3E70 GDP 2.7439
81 3LXK MI1 2.75229
82 4OE4 NAD 2.76596
83 4O9S 2RY 2.7907
84 4I53 1C1 2.7933
85 3FIU POP 2.81124
86 2PSJ CEI 2.82132
87 4I54 1C1 2.83286
88 1TQP ATP 2.83688
89 4O8O AHR 2.86458
90 4NV1 TYD 2.88066
91 1IYB 5GP 2.88462
92 4S00 AKR 2.90828
93 4WGF HX2 2.92683
94 2IU8 PLM 2.94118
95 5GZ9 ANP 2.95082
96 4MRP GSH 2.97872
97 6E08 NAP 2.97872
98 2P8B NSK 2.98103
99 2WD7 VGD 2.98507
100 1YYE 196 2.98507
101 2XGT NSS 2.98851
102 6F4W FMC 3.00429
103 3JQ3 ADP 3.00546
104 3ACL 3F1 3.04054
105 2RHQ GAX 3.06122
106 5HWV MBN 3.07692
107 3B9Z CO2 3.09278
108 1ZP9 ATP 3.10078
109 2QA8 GEN 3.10078
110 5LI1 ANP 3.10734
111 3SAO DBH 3.125
112 1Y7P RIP 3.13901
113 2XWL CTP 3.13901
114 5LI9 ACP 3.14286
115 5V3Y 5V8 3.14685
116 1JJE BYS 3.15315
117 4TV1 36M 3.18725
118 4L9I 8PR 3.19149
119 6FQZ 6PG 3.20513
120 1BZY IMU 3.22581
121 5FLJ QUE 3.22581
122 3K87 FAD 3.24324
123 5D9G GLU ASN LEU TYR PHE GLN 3.25203
124 3AQT RCO 3.26531
125 4MPO AMP 3.26797
126 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 3.26797
127 1U3R 338 3.3195
128 3T4L ZEA 3.33333
129 5DBX ANP 3.35366
130 1GU3 BGC BGC BGC BGC BGC 3.3557
131 1TV5 N8E 3.386
132 5LHT TIH 3.40136
133 2BP1 FLC 3.40426
134 3IGO ANP 3.40426
135 5LUN OGA 3.40909
136 3VKX T3 3.44828
137 5M37 9SZ 3.47826
138 1Q8Y ADP 3.48525
139 6FE1 V14 3.50195
140 3JU6 ANP 3.51351
141 1XMY ROL 3.51759
142 5CSS G3P 3.53982
143 4EMV 0R9 3.53982
144 3R6K FUC GAL GLA 3.60656
145 4RF7 ARG 3.61702
146 5FPE 3TR 3.61757
147 1RYD GLC 3.61757
148 4KBA 1QM 3.62538
149 2HK9 SKM 3.63636
150 3TDC 0EU 3.67454
151 1X54 4AD 3.68664
152 2AGC DAO 3.7037
153 2ZMF CMP 3.7037
154 6APV 3L4 3.7037
155 1HGX 5GP 3.82514
156 3RZ3 U94 3.82514
157 2FGE ALA ALA LEU THR ARG ALA 3.82979
158 3NZ1 3NY 3.83142
159 5OMY 9YE 3.83632
160 1QPR PPC 3.87324
161 2BHW NEX 3.87931
162 1M2Z BOG 3.89105
163 4BFM ANP 3.89222
164 1MXG ACR 3.90805
165 4JLS 3ZE 3.94737
166 3OZG SSI 4
167 2HJ3 FAD 4
168 1GQG DCD 4
169 2ED4 NAD 4.02685
170 3TTZ 07N 4.0404
171 3A5Y KAA 4.05797
172 3E3U NVC 4.06091
173 4U0W 16G 4.06504
174 3UEC ALA ARG TPO LYS 4.10959
175 5W6Y TRP 4.11392
176 6G33 5ID 4.12979
177 3G58 988 4.19948
178 2YAK OSV 4.21053
179 1ZED PNP 4.25532
180 5X13 HC4 4.25532
181 5W3Y ACO 4.26136
182 3A5Z KAA 4.26829
183 4L3L 5FI 4.27632
184 5G48 1FL 4.27807
185 3EFS BTN 4.29185
186 1PHK ATP 4.36242
187 4EI7 GDP 4.37018
188 5FOI MY8 4.41176
189 2OO8 RAJ 4.4164
190 6GNO XDI 4.44444
191 2GTF P1R 4.44444
192 5KJW 53C 4.44965
193 4LAX FK5 4.46097
194 5UKL SIX 4.46809
195 3PVW QRX 4.46809
196 4RHY 3QG 4.47761
197 3ZBQ GDP 4.5045
198 5J75 6GQ 4.54545
199 4DXD 9PC 4.54545
200 5UGW GSH 4.57143
201 3NFD COA 4.57516
202 3V8S 0HD 4.63415
203 4IBF 1D5 4.65116
204 5TQZ GLC 4.66667
205 2OJW ADP 4.6875
206 4H3Q ANP 4.69613
207 4WTR BGC BGC 4.69799
208 1O68 KIV 4.72727
209 2QCS ANP 4.811
210 1ZNY GDP 4.83092
211 5EJL C2E 4.83871
212 5JO1 6LM 4.86486
213 5H2U 1N1 4.86891
214 2EB5 OXL 4.86891
215 4XMF HSM 4.8913
216 2VWA PTY 4.9505
217 4I90 CHT 4.9505
218 2VQ5 HBA 4.97512
219 5JJU AMP 5
220 5T8U LPA 5
221 1U6R ADP 5
222 1SQK LAR 5.03979
223 5GS9 ARG 5.04451
224 1LGT BP3 5.05051
225 4B1X LAB 5.05319
226 4B1V LAB 5.05319
227 1NW4 IMH 5.07246
228 5ZZA LAB 5.09383
229 4YRI 4JH 5.10638
230 4NS3 NAD 5.10638
231 1JPA ANP 5.12821
232 5YEE LAB 5.14706
233 4RYV ZEA 5.16129
234 6DZN AE3 5.16432
235 4DR9 BB2 5.20833
236 4WN5 MVC 5.21739
237 1VRP ADP 5.24934
238 2V1O COA 5.29801
239 5U9J GER 5.32544
240 2CM4 RCL 5.33333
241 1JJ7 ADP 5.38462
242 4RDN 6MD 5.38922
243 1XVB 3BR 5.39846
244 4TW7 37K 5.46875
245 1W96 S1A 5.53191
246 3CBC DBS 5.55556
247 1S17 GNR 5.55556
248 3X01 AMP 5.59796
249 3ZGJ RMN 5.66038
250 1RJD SAM 5.68862
251 1YRO UDP 5.69106
252 2CSN CKI 5.72391
253 3GLC R5P 5.76271
254 3ORK AGS 5.78778
255 4FL3 ANP 5.82677
256 5VM6 9EG 5.83942
257 4YLZ LAT NAG GAL 5.88235
258 5TPV TYD 5.88235
259 4FE2 ADP 5.88235
260 2QHS OCA 5.90717
261 2VDF OCT 5.92885
262 5HV7 RBL 5.9633
263 1SBR VIB 6
264 1W8S FBP 6.08365
265 1TIQ COA 6.11111
266 5Y4R C2E 6.12245
267 5LGD PLM 6.14525
268 3NEM AMO 6.16438
269 4XPQ FUL 6.17021
270 1DTL BEP 6.21118
271 4RT1 C2E 6.25
272 4HIA FMN 6.25
273 6DW2 HD4 6.27451
274 2PVF ACP 6.28743
275 3TL1 JRO 6.28931
276 4ZH7 FUC GAL NAG GAL FUC 6.38298
277 5AEW BNL 6.38298
278 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 6.39269
279 5JZJ AN2 6.39731
280 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.46258
281 3FHI ANP 6.49351
282 2ALG DAO 6.52174
283 1DQN IMU 6.52174
284 4I9B NAD 6.5764
285 3R9V DXC 6.64336
286 2QHV OC9 6.66667
287 5OF1 SAL 6.66667
288 1QD1 FON 6.76923
289 3BJC WAN 6.80851
290 5X7Q GLC GLC GLC GLC GLC 6.80851
291 5IUY BOG 6.84327
292 3G2Y GF4 6.84411
293 3RET SAL 6.93069
294 3RET PYR 6.93069
295 2CYC TYR 6.93333
296 4I9A NCN 6.94444
297 6F05 GTS 6.97674
298 4FG8 ATP 6.98413
299 4LEB THR THR THR THR THR THR THR 7
300 3Q60 ATP 7.00809
301 1QKQ MAN 7.04225
302 5KY9 GDP 7.04225
303 3GQI ACP 7.05521
304 5KXQ GDP 7.06215
305 5EO8 TFU 7.07396
306 2HRL SIA GAL SIA BGC NGA CEQ 7.08661
307 5WRE 7TL 7.09677
308 2RIO ADP 7.14286
309 1P19 IMP 7.23982
310 1QK3 5GP 7.29614
311 1KZN CBN 7.31707
312 2I5F 5IP 7.33945
313 2YKL NLD 7.40741
314 5UIU 8CG 7.43034
315 1C5C TK4 7.44186
316 1HXD BTN 7.47664
317 5VJN IR8 7.48663
318 5VJN ADE 7.48663
319 4WNB 4BN 7.48663
320 5LX9 OLB 7.49186
321 3VV1 GAL FUC 7.5
322 4F9C 0SX 7.63889
323 2Z6D FMN 7.69231
324 2J73 GLC GLC GLC 7.76699
325 1MJT ITU 7.78098
326 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 7.84314
327 1HBK MYR 7.86517
328 1HBK COA 7.86517
329 4KS7 X4Z 7.87671
330 5KAU RHQ 7.87879
331 4F4S EFO 7.89474
332 2POC UD1 7.90191
333 4Q5H ANP 8.04598
334 3TDV GDP 8.16993
335 3OQJ 3CX 8.17121
336 3OYW TDG 8.20895
337 1IA9 ANP 8.21429
338 5EOO CIT 8.30189
339 4MZU TYD 8.33333
340 3S0E EOL 8.40336
341 3SE5 ANP 8.53659
342 1RJW ETF 8.55457
343 4B3J COA 8.7234
344 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 8.78661
345 4YBN FAD 8.92857
346 2ET1 GLV 8.95522
347 1GEG GLC 8.98438
348 5F7Y GLC GAL NAG GAL FUC A2G 9.22747
349 5F7N NAG GAL FUC FUC A2G 9.22747
350 1SDW IYT 9.23567
351 2GQS C2R 9.2827
352 2GQR ADP 9.2827
353 2I74 MAN MAN MAN MAN 9.52381
354 4M69 ANP 9.58466
355 1MFI FHC 9.64912
356 3IWD M2T 9.67742
357 2G30 ALA ALA PHE 9.68992
358 4LOO SB4 9.69529
359 3DOO SKM 9.74729
360 3KO0 TFP 9.90099
361 1GT4 UNA 10.0629
362 3MVH WFE 10.2339
363 3KYF 5GP 5GP 10.3896
364 3I7V B4P 10.4478
365 1CX4 CMP 10.4918
366 3KP6 SAL 10.596
367 6BR8 PGV 10.7143
368 6BR8 6OU 10.7143
369 2R5T ANP 10.7239
370 1J2Z SOG 10.7407
371 5C1M OLC 10.8108
372 2YFB SIN 10.8527
373 6A63 LAT 10.8696
374 4H2V AMP 10.9091
375 5LWY OLB 10.9244
376 4IEN GDP 11.0429
377 5TVF CGQ 11.0769
378 4K7O EKZ 11.3095
379 5H9P TD2 11.3924
380 4NG2 OHN 11.413
381 4WUJ FMN 11.5646
382 3KJQ B94 11.5789
383 3I8T LBT 11.5854
384 5ZZB LAB 11.7647
385 1I7M CG 11.9403
386 3KV8 FAH 12.2302
387 2V0U FMN 12.3288
388 6D6L FY4 12.3529
389 3ROE THM 12.4528
390 4L4J NAG NAG BMA MAN NAG 12.6697
391 5N1X 8HH 12.7119
392 5ODY 9SK 13.0435
393 5EFW FMN 13.1034
394 5MTE BB2 13.1387
395 5KEW 6SB 13.1944
396 2NGR AF3 13.2479
397 5W7B MYR 13.4752
398 5HUA FK5 13.913
399 3JRS A8S 13.9423
400 1T36 ADP 14.1361
401 5O3Q CMP 14.1667
402 1PZM 5GP 14.6919
403 4OGQ 7PH 14.7059
404 4OGQ 2WD 14.7059
405 4OGQ 1O2 14.7059
406 3ZXE PGZ 15.0376
407 2BCG GER 15.0485
408 4RJD TFP 15.1515
409 5D3X 4IP 15.5689
410 6G9I CXX 16.0714
411 2Y69 CHD 16.568
412 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 17.1053
413 2IBZ UQ6 17.3228
414 4OAS 2SW 17.7083
415 4UA3 COA 18.0412
416 5Z84 CHD 18.3673
417 5ZCO CHD 18.3673
418 5W97 CHD 18.3673
419 2QV6 GTP 18.6567
420 6C7Y ADP 18.8034
421 3ZCB ATP 19.3548
422 4FMS BDP 19.6474
423 5OM2 DXT 20
424 2GJ5 VD3 20.9877
425 3QX9 ATP 21.0145
426 1KGI T4A 22.0472
427 5OYH T99 22.2798
428 4LRJ ANP 23.6686
429 5DYO FLU 24.0566
430 2YMZ LAT 27.6923
431 1WAP TRP 28
432 4WP9 ZDA 28.2486
433 6C99 EQY 36.3636
434 4B1W LAB 37.5
435 4OH4 ANP 38.0952
436 1NU4 MLA 44.3299
437 2B9H ADP 50
Pocket No.: 2; Query (leader) PDB : 4OYA; Ligand: 1VE; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 4oya.bio2) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 6E1Q CFA 1.48936
2 5O9W AKG 1.90736
3 3W54 RNB 2.12766
4 4P86 5GP 2.18579
5 3KYG 5GP 5GP 2.20264
6 2B9F ADP 2.26629
7 2X1L MET 3.19149
8 2OO0 XAP 3.19149
9 6FYL 3NG 3.30579
10 5X8I SQZ 4.04624
11 5NM7 GLY 4.51128
12 5M36 9SZ 5.26316
13 5FUI APY 5.30303
14 5J3Z 6FQ 5.46875
15 5YSI NCA 5.92105
16 1I1Q TRP 6.17021
17 3FW4 CAQ 6.17978
18 5XLY C2E 6.40569
19 2O5L MNR 6.53595
20 4MOB ADP 6.62651
21 5X7Q GLC GLC GLC GLC 6.80851
22 3WBD SIA SIA SIA SIA SIA SIA SIA 6.91057
23 5A6N U7E 8.48057
24 4USF 6UI 8.55263
25 5YBL AKG 10.1911
26 1H8P PC 12.844
27 6FA4 D1W 16.185
28 1M48 FRG 26.3158
29 4P83 U5P 26.9231
Pocket No.: 3; Query (leader) PDB : 4OYA; Ligand: 1VE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4oya.bio2) has 60 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4OYA; Ligand: 1VE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4oya.bio2) has 60 residues
No: Leader PDB Ligand Sequence Similarity
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