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Receptor
PDB id Resolution Class Description Source Keywords
5T63 2.5 Å EC: 3.-.-.- THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 PROTEASE PDZ DOMAIN HYDROLASE
Ref.: THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 -INSIGHTS INTO STRUCTURE AND ACTIVITY REGULATION. J. STRUCT. BIOL. V. 198 147 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ALA ALA ALA ALA C:1;
Valid;
none;
submit data
287.34 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T63 2.5 Å EC: 3.-.-.- THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 PROTEASE PDZ DOMAIN HYDROLASE
Ref.: THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 -INSIGHTS INTO STRUCTURE AND ACTIVITY REGULATION. J. STRUCT. BIOL. V. 198 147 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA ALA ALA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA 1 1
2 ALA ALA ALA ALA 1 1
3 ALA ALA ALA ALA ALA ALA ALA 0.615385 0.923077
4 ALA ALA SER ALA SER ALA 0.591837 0.648649
5 ALA ALA ALA 0.589744 0.923077
6 ALA GLY GLY ALA ALA ALA ALA ALA 0.566038 0.705882
7 ALA GLY ALA ALA 0.541667 0.727273
8 ALA LYS ALA ALA 0.537037 0.685714
9 ALA VAL ALA 0.5 0.92
10 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.462963 0.75
11 DAL DAL 0.461538 0.846154
12 ALA ALA 0.461538 0.846154
13 ALA GLU ALA ALA GLN ALA 0.460317 0.705882
14 ALA ALA ALA ALA SER ALA ALA 0.45283 0.648649
15 ALA THR ALA ALA 0.44 0.774194
16 ALA ALA PHE 0.421053 0.766667
17 ALA ALA CE7 0.42 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T63; Ligand: ALA ALA ALA ALA; Similar sites found with APoc: 288
This union binding pocket(no: 1) in the query (biounit: 5t63.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DQX BMP 0.749064
2 4Y85 499 1.20482
3 6GWR FEW 1.26984
4 2WQN ADP 1.29032
5 1XA4 COA 1.3624
6 4ITH RCM 1.70068
7 5FEU NAP 1.71821
8 5X8I SQZ 1.7341
9 6G33 5ID 1.76991
10 1HXD BTN 1.86916
11 4ZLU ADP 1.90736
12 4ZLU 4PW 1.90736
13 4YDQ HFG 1.90736
14 4YDQ ANP 1.90736
15 5EF7 5OJ 1.92308
16 4Q4K FMN 1.96078
17 3ZNN 4WL 2.01729
18 3ZNN FAD 2.01729
19 6F3G CJN 2.0339
20 6FDF SAH 2.09581
21 3AKK ADP 2.15385
22 6EQS BV8 2.18182
23 4FG8 ATP 2.22222
24 5EFQ ADP 2.23881
25 2ZAT NAP 2.30769
26 1RM4 NDP 2.37389
27 2V7O DRN 2.38095
28 6DA9 FMN 2.45232
29 5Y86 HRM 2.45232
30 1YBQ BDH 2.45232
31 4OOE FOM 2.45232
32 4OOE NDP 2.45232
33 4REP FAD 2.45232
34 2J5V RGP 2.45232
35 5UIU 8CG 2.47678
36 1F8Y 5MD 2.54777
37 4XF6 ADP 2.5641
38 4XF6 LIP 2.5641
39 4XF6 INS 2.5641
40 5JFS 6K0 2.5974
41 1PK8 ATP 2.60664
42 6GUE FB8 2.61194
43 5YF9 NIO 2.65487
44 2VN9 GVD 2.65781
45 4CFU 2WC 2.67176
46 4BCN T9N 2.67176
47 4GN8 ASO 2.67559
48 4NTD FAD 2.7248
49 6FYL 3NG 2.75482
50 6EDK 1YA 2.76498
51 1N5D NDP 2.77778
52 3VPD ANP 2.84698
53 4LHW GNP 2.87356
54 1M9H NAD 2.8777
55 3WV1 WHH 2.92398
56 5FQD LVY 2.93255
57 3HY3 10F 2.95567
58 3GC8 B45 2.97297
59 2WT9 NIO 2.97872
60 4BHN BH9 2.99401
61 4X9M FAD 2.99728
62 2A8X FAD 2.99728
63 2Z4T C5P 2.99728
64 3AHQ FAD 2.99728
65 5KOR GDP 2.99728
66 3RDE OYP 2.99728
67 5ZTN CUR 2.99728
68 3EFS BTN 3.00429
69 1R4A GNP 3.0303
70 5Y1G AKB 3.04878
71 5Y1G NAD 3.04878
72 5JBX COA 3.06513
73 4I53 1C1 3.07263
74 5ZAI COA 3.0888
75 6CMJ F6J 3.11526
76 4M20 COA 3.14961
77 5OKT 9XK 3.18471
78 3D91 REM 3.22581
79 6APV 3L4 3.24074
80 8CGT TM6 3.26975
81 4WB7 ATP 3.26975
82 2O0J ADP 3.26975
83 4V3C C 3.26975
84 2GMH UQ5 3.26975
85 4X8O AP5 3.27103
86 3QDL FMN 3.33333
87 1UPT GTP 3.33333
88 4GOJ GNP 3.33333
89 3PD2 A3S 3.40136
90 2QCS ANP 3.42857
91 4WB6 ATP 3.42857
92 5MUA GAL 3.4965
93 2NP9 YE1 3.54223
94 2D2I NAP 3.54223
95 1RM8 BAT 3.5503
96 2I8T GDD 3.59281
97 2VSS ACO 3.62319
98 2VSS V55 3.62319
99 2VSU ACO 3.63636
100 2APH AMU ALA GMA LYS DAL DAL NH2 3.63636
101 5O96 SAM 3.67347
102 4UXL 5P8 3.72671
103 5LMC FMN 3.81471
104 4YKG FAD 3.81471
105 2BGM NAJ 3.81471
106 3RKR NAP 3.81679
107 6FYV 3NG 3.85757
108 6G34 5ID 3.92157
109 5K0A FAD 3.93939
110 3LL5 IPE 4.01606
111 5WDR GNP 4.09357
112 1US5 GLU 4.14013
113 2AQX ATP 4.15225
114 1E96 GTP 4.16667
115 1G27 BB1 4.16667
116 3AFN NAP 4.26357
117 3WXB NDP 4.30108
118 1TZD ADP 4.36364
119 2VBU CDP 4.41176
120 1S17 GNR 4.44444
121 1PR9 NAP 4.5082
122 6DEN G8A 4.63215
123 6DEN TP9 4.63215
124 6DEN FAD 4.63215
125 1PS9 FAD 4.63215
126 2VVM FAD 4.63215
127 1UPA TPP 4.63215
128 3M6P BB2 4.66321
129 5WQP NCA 4.70085
130 5WQP NAP 4.70085
131 2OO8 RAJ 4.73186
132 4LRJ ANP 4.73373
133 4J5R A1R 4.79452
134 3DDC GNP 4.81928
135 1SU2 ATP 5.03145
136 5JZJ AN2 5.05051
137 1BZY IMU 5.06912
138 3BNK FMN 5.10204
139 4ZA2 NAD 5.13834
140 3WYF GTP 5.17711
141 5HZ9 5M8 5.18518
142 3FHI ANP 5.19481
143 1SS4 GSH 5.22876
144 5YU3 NAD 5.23256
145 5YU3 PRO 5.23256
146 6FTB M0E 5.2381
147 4O4F ATP 5.24194
148 4O4F IHP 5.24194
149 4F07 FAD 5.26316
150 3F7Z 34O 5.42857
151 4C2C ALA VAL PRO ALA 5.44959
152 1KOR ARG 5.44959
153 1KOR SIN 5.44959
154 1KOR ANP 5.44959
155 5UWU GNP 5.48523
156 6CIT GNP 5.48523
157 5UWP GNP 5.48523
158 5UWQ GNP 5.48523
159 5DHF GNP 5.48523
160 5UWR GNP 5.48523
161 5UWT GNP 5.48523
162 5UWI GNP 5.48523
163 5UWJ GNP 5.48523
164 5DIF GNP 5.48523
165 5DI9 GNP 5.48523
166 5UWO GNP 5.48523
167 5UWH GNP 5.48523
168 5UWS GNP 5.48523
169 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 5.53191
170 4ZDC CO8 5.66667
171 6FP4 E1T 5.72207
172 1NX0 ALA LYS ALA ILE ALA 5.78035
173 3CB0 FMN 5.78035
174 2GJN NIS 5.79268
175 2GJN FMN 5.79268
176 4O0L NDP 5.81818
177 5OCG GNP 5.82011
178 1NZY BCA 5.94796
179 1JXZ BCA 5.94796
180 2Y7P SAL 5.9633
181 2PZ8 APC 5.98592
182 3FD5 AP2 5.99455
183 2F2U M77 5.99455
184 5MY8 RXZ 5.99455
185 5FSY AR6 6.01504
186 3GJX GTP 6.01852
187 3ZV6 NAD 6.04982
188 3A5Z KAA 6.09756
189 3O0G 3O0 6.16438
190 1GUA GNP 6.17284
191 3KUD GDP 6.17284
192 1T3D CYS 6.22837
193 2IHK CSF 6.26703
194 3RUV ANP 6.26703
195 1CKN GTP 6.36364
196 3RWO GDP 6.48649
197 3UWB BB2 6.49351
198 5O2T GSP 6.50888
199 5GS9 ARG 6.52819
200 4WUP 3UF 6.53846
201 5OVX AY5 6.53951
202 4GYI ADP 6.53951
203 3RZ3 U94 6.55738
204 3X1Z GNP 6.58683
205 4RR7 A3S 6.61765
206 1U59 STU 6.62021
207 4JNA FAD 6.76471
208 3M1I GTP 6.80628
209 5XGX DAS DLY 6.81199
210 4ZAC 4LU 6.81199
211 4EJN 0R4 6.81199
212 2V51 ATP 6.81199
213 4B1X ATP 6.81199
214 3BBH SFG 6.82927
215 4QIJ 1HA 6.88623
216 3RET PYR 6.93069
217 3RET SAL 6.93069
218 1CER NAD 6.94864
219 6CEN ACE GLY VAL NLE ARG ILE NH2 7.01754
220 5APG EEM 7.02703
221 1N83 CLR 7.03704
222 2PX8 SAH 7.0632
223 2UZH CDP 7.27273
224 5K2M ADP 7.32601
225 1UA7 ACI GLD GLC ACI G6D BGC 7.35695
226 1WA5 GTP 7.38636
227 5AHW CMP 7.48299
228 1GAR U89 7.54717
229 5VL2 9EG 7.57576
230 5YLT SFG 7.60456
231 5YLT C7N 7.60456
232 2BIW 3ON 7.62943
233 1H0H 2MD 7.62943
234 2QES ADE 7.66284
235 1SQA UI1 7.7551
236 5CUQ NSC 7.86517
237 5ZEC NAP 7.89474
238 1ZBQ NAD 7.95107
239 4XJ2 FMN 7.97872
240 1UAD GNP 8
241 3A28 NAD 8.13953
242 4NBT NAD 8.33333
243 1SG4 CO8 8.46154
244 3QV1 NAD 8.53659
245 3WGT FAD 8.64553
246 3WGT QSC 8.64553
247 1XDN ATP 8.66426
248 3VPB ADP 8.92857
249 4PO2 ASN ARG LEU LEU LEU THR GLY 8.93617
250 1U8X NAD 9.26431
251 4HAT GNP 9.28571
252 3CIP ATP 9.375
253 4B2H C3F 9.45946
254 1HKU NAD 9.49721
255 1YAG ATP 9.6
256 2YAB AMP 9.9723
257 3RK0 AMP 10.1266
258 2CC6 LUM 10.2941
259 4HSU FAD 10.4839
260 4ZI2 GNP 10.5263
261 5HQ0 LZ9 10.7143
262 5A89 ADP 10.8974
263 5A89 FMN 10.8974
264 5OVV ACE ILE GLU SER THR GLU ILE 11.3821
265 3WYG GTP 11.8421
266 4DR9 BB2 11.9792
267 2WU6 DKI 11.9891
268 1G8K MGD 12.0301
269 4Z0H NAD 12.2754
270 2Z6I FMN 12.3494
271 1M7Y PPG 12.5341
272 2Z6J FMN 12.6506
273 1S4M LUM 12.9693
274 4BCM T7Z 13.3588
275 1L6O SER LEU LYS LEU MET THR THR VAL 13.6842
276 1Q3P GLU ALA GLN THR ARG LEU 13.7615
277 2UZI GTP 14.4231
278 5OVC ACE GLU ALA GLN THR ARG LEU 14.5833
279 5TVI O8N 15.2174
280 2QXX TTP 15.7895
281 1U3G THF 15.873
282 6BJO DUY 16
283 4FOU C2E 16.2393
284 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 21.0526
285 4B1V ATP 21.875
286 2A5F NAD 23.3161
287 5VWK PRO ALA TRP ASP GLU THR ASN LEU 24.5902
288 5UWW GNP 42.8571
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