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 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(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 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 177 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: 151
This union binding pocket(no: 1) in the query (biounit: 4yvn.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E5A LAQ 0.01775 0.42257 1.15274
2 3E9I XAH 0.01977 0.42174 1.21704
3 1DQX BMP 0.01492 0.41662 1.49813
4 4I54 1C1 0.02863 0.41291 1.69972
5 3E85 BSU 0.02437 0.42486 1.89873
6 4ZH7 FUC GAL NAG GAL FUC 0.01107 0.41096 1.94932
7 2GU8 796 0.006094 0.47069 2.07715
8 4D06 NAR 0.01132 0.42282 2.12014
9 3Q60 ATP 0.01529 0.40931 2.15633
10 5C8L GLC 0.02133 0.41107 2.1978
11 4YBN FAD 0.0208 0.4192 2.23214
12 5N87 N66 0.003447 0.46743 2.23642
13 5J75 6GQ 0.009118 0.42206 2.27273
14 1ZB6 GST 0.001422 0.48311 2.28013
15 1ZHX HC3 0.03311 0.40507 2.28311
16 3LVW GSH 0.001946 0.48322 2.33918
17 1ZNY GDP 0.0007233 0.46346 2.41546
18 3EUF BAU 0.01981 0.40337 2.43902
19 5X8G S0N 0.02935 0.43003 2.47423
20 3DLG GWE 0.01036 0.46326 2.5
21 3OV6 MK0 0.03271 0.40967 2.53411
22 4CSV STI 0.03058 0.40127 2.54545
23 5H04 NAI 0.02316 0.40204 2.6253
24 1O6Z NAD 0.03677 0.40054 2.64026
25 2FB3 GTP 0.02072 0.42003 2.64706
26 5DEY 59T 0.02267 0.43576 2.6936
27 5A3T MMK 0.00254 0.47138 2.7027
28 1P7T ACO 0.02659 0.4067 2.72904
29 4OMJ 2TX 0.04151 0.40682 2.8777
30 5XDT MB3 0.04708 0.40396 2.92208
31 2RCU BUJ 0.01353 0.45184 2.92398
32 2WSA MYA 0.02272 0.45137 3.19635
33 2WSA 646 0.02272 0.45137 3.19635
34 3FW9 SLX 0.02491 0.40182 3.23232
35 4FHD 0TT 0.01668 0.42765 3.26087
36 4FHD EEM 0.01668 0.42765 3.26087
37 5IVE 6E8 0.004434 0.45884 3.33333
38 1S4M LUM 0.03922 0.40175 3.41297
39 2Y6Q I7T 0.0146 0.44585 3.51759
40 4IGQ THR M3L GLN 0.002891 0.45221 3.61111
41 2AG4 OLA 0.01569 0.44921 3.65854
42 2AG4 LP3 0.01726 0.44886 3.65854
43 4UWJ 7L5 0.008512 0.46801 3.6855
44 4UWJ MYA 0.008512 0.46801 3.6855
45 3T4L ZEA 0.0051 0.43688 3.7037
46 3GZ8 APR 0.02102 0.40914 3.7037
47 1DRY AAG 0.03796 0.40207 3.7037
48 1DRY AKG 0.03796 0.40207 3.7037
49 4QYN RTL 0.00795 0.42842 3.7594
50 2ZRU FMN 0.01524 0.4338 3.80435
51 3KCC CMP 0.02495 0.40308 3.84615
52 3A7R LAQ 0.0271 0.4207 3.85757
53 3FHI ANP 0.03651 0.40181 3.8961
54 4TW7 37K 0.006856 0.4428 3.90625
55 4Z9D NAD 0.02392 0.40498 4
56 5ML3 DL3 0.02261 0.42445 4.02685
57 3X00 ZOF EDN ZOF 0.03391 0.43627 4.08163
58 4WUJ FMN 0.02519 0.40118 4.08163
59 4QRH 0O2 0.02603 0.40274 4.28571
60 1KHZ ADV 0.006322 0.44249 4.30622
61 1H4H XYP XYS XYP 0.01364 0.41157 4.30622
62 4WN5 MVC 0.009966 0.42898 4.34783
63 4AZP A9M 0.03081 0.40321 4.34783
64 5F3I 5UJ 0.04498 0.41851 4.44444
65 2PVN P63 0.02928 0.40976 4.54545
66 4AU8 Z3R 0.01411 0.40444 4.72973
67 5EYP LOC 0.007488 0.43466 4.73373
68 5J8O 6GZ 0.007315 0.42689 4.83871
69 2UUU PL3 0.03247 0.43185 4.87329
70 3T3C 017 0.03108 0.40735 5.05051
71 5FWJ MMK 0.01201 0.40757 5.09554
72 2EQA AMP 0.003859 0.45249 5.11364
73 5LRT ADP 0.01614 0.41865 5.11811
74 1T27 PCW 0.00932 0.4515 5.16605
75 2A1L PCW 0.004632 0.46975 5.18518
76 3B1Q NOS 0.01265 0.41647 5.21472
77 4HKP TKW 0.02981 0.40235 5.44872
78 2YNE YNE 0.008124 0.47684 5.46875
79 2YNE NHW 0.008124 0.47684 5.46875
80 4B2Z P5S 0.02837 0.42027 5.58036
81 5TA6 79D 0.01178 0.4298 5.58659
82 1RYA GDP 0.008423 0.43682 5.625
83 5W4W 9WG 0.02214 0.41689 5.74018
84 2R5V HHH 0.01433 0.40651 5.88235
85 1XE7 GUN 0.007698 0.43145 5.91133
86 3MTX PGT 0.04109 0.4056 5.96026
87 3P2H NOO 0.01844 0.40583 5.97015
88 1OUK 084 0.0009352 0.54051 6.01093
89 5BYZ 4WE 0.01811 0.42396 6.03448
90 3L9R L9R 0.009857 0.44605 6.12245
91 3L9R L9Q 0.03793 0.41095 6.12245
92 3FGC FMN 0.004739 0.44209 6.19718
93 4HIA FMN 0.01657 0.42994 6.25
94 5IH9 6BF 0.03499 0.41242 6.26866
95 5H9Y BGC BGC BGC BGC 0.01459 0.40888 6.30631
96 5H9Y BGC BGC BGC BGC BGC 0.01301 0.40243 6.30631
97 3LKJ LKJ 0.02112 0.42234 6.38298
98 2QCD U5P 0.02033 0.40814 6.53846
99 1NFS DED 0.02087 0.40376 6.55738
100 2CM4 RCL 0.001364 0.47242 6.66667
101 5XLY C2E 0.02035 0.40569 6.76692
102 1HXD BTN 0.009586 0.42576 6.85358
103 4BKJ STI 0.02112 0.41259 6.98413
104 5DQ8 FLF 0.0123 0.42488 7.08333
105 1TT8 PHB 0.01388 0.42471 7.31707
106 3FUR Z12 0.03358 0.42305 7.35294
107 3L5R 47X 0.007162 0.48204 7.37705
108 2GJ5 VD3 0.003978 0.46768 7.40741
109 4MNS 2AX 0.01491 0.44441 7.54717
110 3LXK MI1 0.02028 0.41755 7.64526
111 5IXG OTP 0.004404 0.47253 7.69231
112 1WN3 HXC 0.005597 0.44565 8.08823
113 2QM9 TDZ 0.0107 0.42595 8.3871
114 4H8N NDP 0.03865 0.4087 8.3871
115 4WHZ 3NL 0.0003048 0.53806 8.57143
116 1C4Q GLA GAL BGC 0.04497 0.43306 8.69565
117 2X4Z X4Z 0.001714 0.48381 8.78378
118 4RT1 C2E 0.01058 0.41762 8.92857
119 2X32 OTP 0.01364 0.44456 8.93855
120 5U98 1KX 0.02087 0.44356 9.09091
121 1QY1 PRZ 0.007431 0.4335 9.1954
122 2Z6D FMN 0.009804 0.42384 9.23077
123 5IXH OTP 0.003697 0.4726 9.31677
124 1LSH PLD 0.006961 0.44571 9.40439
125 4YDU ADP 0.02161 0.41158 9.62099
126 5BVE 4VG 0.0117 0.45787 9.69529
127 1KQW RTL 0.01023 0.41991 9.70149
128 5NCF 8T5 0.008275 0.41081 9.73451
129 3IX8 TX3 0.01198 0.42936 9.82659
130 3A5Y KAA 0.03767 0.4017 10.1449
131 1LVG 5GP 0.01367 0.41188 10.6061
132 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.04486 0.42557 10.989
133 3A5Z KAA 0.006517 0.44692 11.2805
134 2QZ3 XYP XYP XYP 0.02569 0.40592 12.4324
135 4K3H 1OM 0.01632 0.41312 12.7119
136 4M1U MBG A2G 0.01635 0.41974 12.8571
137 1O44 852 0.04735 0.40868 12.963
138 1F0X FAD 0.04796 0.40834 13.0604
139 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.00005977 0.42762 13.1579
140 5FLJ QUE 0.02974 0.40249 13.9785
141 3TAY MN0 0.00418 0.45142 14.1104
142 4RYV ZEA 0.003859 0.43437 14.1935
143 1Y7P RIP 0.006418 0.40209 14.3498
144 5JFS 6K0 0.04348 0.41098 14.6104
145 5HES 032 0.02265 0.40701 14.658
146 1KGI T4A 0.002262 0.4629 14.9606
147 4NG2 OHN 0.01536 0.42115 15.9292
148 5LDQ NAP 0.0035 0.43873 18.0791
149 3G08 FEE 0.01973 0.4421 23.2323
150 3OYW TDG 0.01299 0.40183 23.8806
151 2QO4 CHD 0.03178 0.4089 25.3968
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