-->
Receptor
PDB id Resolution Class Description Source Keywords
4YVN 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH ABTS AT A N BINDING SITE BACILLUS SUBTILIS (STRAIN 168) SPORE COAT PROTEIN A OXIDOREDUCTASE LACCASE ABTS
Ref.: CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH 2,2-AZINOBIS-(3-ETHYLBENZOTHIAZOLINE-6-SULFONATE) A BINDING SITE ACTA CRYSTALLOGR.,SECT.F V. 72 328 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:606;
A:607;
A:608;
A:609;
A:605;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
EBS A:604;
Valid;
none;
submit data
514.619 C18 H18 N4 O6 S4 CCN1c...
GOL A:610;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CU A:603;
A:602;
A:601;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
63.546 Cu [Cu+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YVN 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH ABTS AT A N BINDING SITE BACILLUS SUBTILIS (STRAIN 168) SPORE COAT PROTEIN A OXIDOREDUCTASE LACCASE ABTS
Ref.: CRYSTAL STRUCTURE OF COTA LACCASE COMPLEXED WITH 2,2-AZINOBIS-(3-ETHYLBENZOTHIAZOLINE-6-SULFONATE) A BINDING SITE ACTA CRYSTALLOGR.,SECT.F V. 72 328 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1OF0 - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
2 3ZDW - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
3 4YVN - EBS C18 H18 N4 O6 S4 CCN1c2ccc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EBS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EBS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YVN; Ligand: EBS; Similar sites found with APoc: 271
This union binding pocket(no: 1) in the query (biounit: 4yvn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2E5A LAQ 1.15274
2 3E9I XAH 1.21704
3 2J5B TYE 1.43678
4 1DQX BMP 1.49813
5 3NEM AMO 1.59817
6 4I54 1C1 1.69972
7 3IAL PR8 1.75439
8 3VRY B43 1.76211
9 5FBN 5WF 1.84502
10 3E85 BSU 1.89873
11 4J7H TRH 1.91083
12 4J7H TLO 1.91083
13 3LU1 UD2 1.92308
14 4ZH7 FUC GAL NAG GAL FUC 1.94932
15 2IO8 ADP 1.94932
16 6GIN IR2 1.99336
17 4XP7 FNR 2.02312
18 2GU8 796 2.07715
19 4D06 NAR 2.12014
20 6EXF LYS 2.15054
21 3Q60 ATP 2.15633
22 5C8L GLC 2.1978
23 4YBN FAD 2.23214
24 5N87 N66 2.23642
25 4DXD 9PC 2.27273
26 5J75 6GQ 2.27273
27 1ZB6 GST 2.28013
28 1ZHX HC3 2.28311
29 3LVW GSH 2.33918
30 3UH0 TSB 2.3913
31 1ZNY GDP 2.41546
32 3EUF BAU 2.43902
33 5X8G S0N 2.47423
34 3DLG GWE 2.5
35 5AE2 FYC 2.53411
36 5AE2 FAD 2.53411
37 3OV6 MK0 2.53411
38 4CSV STI 2.54545
39 1SDW IYT 2.54777
40 3CW9 AMP 2.57937
41 3HQP OXL 2.60521
42 5H04 NAI 2.6253
43 1O6Z NAD 2.64026
44 2FB3 GTP 2.64706
45 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 2.65957
46 5DEY 59T 2.6936
47 5A3T MMK 2.7027
48 4FAJ LEU VAL THR LEU VAL PHE VAL 2.72904
49 1P7T ACO 2.72904
50 4EWN 0VR 2.7668
51 5HW4 SAM 2.82258
52 6GW1 CHO 2.86624
53 4L80 1VU 2.87356
54 4OMJ 2TX 2.8777
55 1UNB PN1 2.89389
56 2YJ0 420 2.89855
57 5XDT MB3 2.92208
58 2RCU BUJ 2.92398
59 6GW4 CHO 2.9316
60 3VHE 42Q 3.06407
61 5LY1 PPI 3.11891
62 2OJW ADP 3.125
63 2WSA 646 3.19635
64 2WSA MYA 3.19635
65 1PIG BGC 3.22581
66 3ZEI AWH 3.22581
67 4QAC KK3 3.22581
68 3FW9 SLX 3.23232
69 4FHD EEM 3.26087
70 4FHD 0TT 3.26087
71 2VFT SOR 3.31754
72 5IVE 6E8 3.33333
73 1S4M LUM 3.41297
74 3P7N FMN 3.50877
75 2Y6Q I7T 3.51759
76 4IGQ THR M3L GLN 3.61111
77 4CS4 AXZ 3.64964
78 4CS4 ANP 3.64964
79 2AG4 OLA 3.65854
80 2AG4 LP3 3.65854
81 4G31 0WH 3.67893
82 4UWJ 7L5 3.6855
83 4UWJ MYA 3.6855
84 3T4L ZEA 3.7037
85 3GZ8 APR 3.7037
86 1DRY AAG 3.7037
87 1DRY AKG 3.7037
88 4QYN RTL 3.7594
89 3STK PLM 3.78788
90 2ZRU FMN 3.80435
91 3QRC SCR 3.82166
92 1OPK P16 3.83838
93 3KCC CMP 3.84615
94 3A7R LAQ 3.85757
95 3FHI ANP 3.8961
96 4TW7 37K 3.90625
97 4Z9D NAD 4
98 5ML3 DL3 4.02685
99 3X00 ZOF EDN ZOF 4.08163
100 4WUJ FMN 4.08163
101 5N2D 8J8 4.16667
102 4QRH 0O2 4.28571
103 1KHZ ADV 4.30622
104 1H4H XYP XYS XYP 4.30622
105 4WN5 MVC 4.34783
106 4AZP A9M 4.34783
107 5FYR INS 4.36242
108 5F3I 5UJ 4.44444
109 1B7Y FYA 4.48343
110 4RFM 3P6 4.51128
111 2PVN P63 4.54545
112 5JCA FAD 4.57746
113 4HWS 1B3 4.62287
114 2GQS ADP 4.64135
115 2GQS C2R 4.64135
116 5NIU 8YZ 4.6875
117 4AU8 Z3R 4.72973
118 5EYP LOC 4.73373
119 1Y52 BTN 4.7619
120 5N5U 7N8 4.77707
121 4IAW LIZ 4.78723
122 5EW9 5VC 4.79705
123 2Q1W NAD 4.8048
124 5N2F 8HW 4.83871
125 2UUU PL3 4.87329
126 3VHH VHH 4.87805
127 4IEN GDP 4.90798
128 3T3C 017 5.05051
129 5FWJ MMK 5.09554
130 2EQA AMP 5.11364
131 5LRT ADP 5.11811
132 1T27 PCW 5.16605
133 2A1L PCW 5.18518
134 6GNO XDI 5.18518
135 3B1Q NOS 5.21472
136 1WOR RED 5.21978
137 6MPT C30 5.24476
138 5OCG 9R5 5.29101
139 2I8T GDD 5.38922
140 5ISY NAD 5.40541
141 5BU3 4W9 5.43478
142 4HKP TKW 5.44872
143 2YNE YNE 5.46875
144 2YNE NHW 5.46875
145 6CC0 EWM 5.48523
146 4OFG PCG 5.55556
147 4B2Z P5S 5.58036
148 5TA6 79D 5.58659
149 4KBA 1QM 5.74018
150 5W4W 9WG 5.74018
151 3H7J PPY 5.76132
152 4X7Q 3YR 5.76923
153 2R5V HHH 5.88235
154 1XE7 GUN 5.91133
155 3MTX PGT 5.96026
156 3P2H NOO 5.97015
157 5LXT GTP 5.98958
158 5LXT ACP 5.98958
159 1OUK 084 6.01093
160 1VA6 P2S 6.04288
161 1VA6 ADP 6.04288
162 2RHQ GAX 6.04288
163 1HKK NAA NAA AMI 6.04396
164 2ART LPA AMP 6.10687
165 3L9R L9R 6.12245
166 3L9R L9Q 6.12245
167 2YC5 6BC 6.14035
168 3FGC FMN 6.19718
169 5IH9 6BF 6.26866
170 5H9Y BGC BGC BGC BGC 6.30631
171 5H9Y BGC BGC BGC BGC BGC 6.30631
172 6FA4 D1W 6.35838
173 3LKJ LKJ 6.38298
174 1C3V NDP 6.53061
175 2QCD U5P 6.53846
176 1NFS DED 6.55738
177 2CM4 RCL 6.66667
178 3D72 FAD 6.71141
179 5XLY C2E 6.76692
180 6EHH 2GE 6.81818
181 1HXD BTN 6.85358
182 2Z6C FMN 6.97674
183 5DQ8 FLF 7.08333
184 3TTI KBI 7.11207
185 6GVZ CHO 7.21311
186 1TT8 PHB 7.31707
187 3FUR Z12 7.35294
188 3L5R 47X 7.37705
189 4NJH 2K8 7.3913
190 4NJH SAM 7.3913
191 5DG2 GAL GLC 7.40741
192 4MNS 2AX 7.54717
193 3E2M E2M 7.56757
194 3LXK MI1 7.64526
195 5IXG OTP 7.69231
196 1MID LAP 7.69231
197 3RWP ABQ 7.71704
198 4KU7 PCG 7.84314
199 5OX6 A1Z 7.93651
200 4NP3 2L2 8
201 5FP4 YC8 8.08383
202 1WN3 HXC 8.08823
203 1QIN GIP 8.19672
204 1OPB RET 8.20895
205 5VL2 9EG 8.33333
206 2QM9 TDZ 8.3871
207 4H8N NDP 8.3871
208 1WPY BTN 8.51064
209 2DXU BT5 8.51064
210 3A6T 8OG 8.52713
211 4WHZ 3NL 8.57143
212 1C4Q GLA GAL BGC 8.69565
213 2X34 UQ8 8.83978
214 5LHT TIH 8.84354
215 5JAX 6J7 8.88889
216 6G9I CXX 8.92857
217 2X32 OTP 8.93855
218 5WL1 D3D 9.09091
219 5U98 1KX 9.09091
220 3HUJ AGH 9.09091
221 3KJQ B94 9.14634
222 1QY1 PRZ 9.1954
223 2Z6D FMN 9.23077
224 5IXH OTP 9.31677
225 1LSH PLD 9.40439
226 1BHX ASP PHE GLU GLU ILE 9.52381
227 4YDU ADP 9.62099
228 5BVE 4VG 9.69529
229 1KQW RTL 9.70149
230 5NCF 8T5 9.73451
231 2RDE C2E 9.96016
232 6D6L FY4 10
233 3SAO DBH 10
234 5NLD LBT 10.0719
235 3A5Y KAA 10.1449
236 4URX HXY 10.2703
237 3KYF 5GP 5GP 10.3896
238 1LVG 5GP 10.6061
239 3KYG 5GP 5GP 11.0132
240 3A5Z KAA 11.2805
241 4Q0P 0MK 11.5385
242 1F5F DHT 11.7073
243 5LYH 7B8 11.9171
244 6H39 FGY 12.2642
245 4K3H 1OM 12.7119
246 4M1U MBG A2G 12.8571
247 1PVC ILE SER GLU VAL 13.0252
248 1F0X FAD 13.0604
249 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
250 5VM0 9EG 13.2812
251 1KDK DHT 13.5593
252 5FLJ QUE 13.9785
253 3TAY MN0 14.1104
254 4RYV ZEA 14.1935
255 1Y7P RIP 14.3498
256 5JFS 6K0 14.6104
257 5HES 032 14.658
258 5TZO 7V7 14.8936
259 1KGI T4A 14.9606
260 3TCT 3MI 15.748
261 4NG2 OHN 15.9292
262 2F3R G5P 15.942
263 5AYT L6Y 16.9811
264 5LDQ NAP 18.0791
265 5FUI APY 19.697
266 3G08 FEE 23.2323
267 3RUG DB6 23.2323
268 5FKP 6UL 23.2323
269 3OYW TDG 23.8806
270 2QO4 CHD 25.3968
271 5FPX GLY SER SER HIS HIS HIS HIS HIS 25.6637
APoc FAQ
Feedback