Receptor
PDB id Resolution Class Description Source Keywords
3WDX 1.9 Å EC: 3.2.1.73 THE COMPLEX STRUCTURE OF E113A WITH GLUCOTRIOSE PAECILOMYCES 13-14-BETA-GLUCANASE 13(4)-BETA-GLUCANASE PTLIC16A BETJELLYROLL FOLD HYDROLASE
Ref.: STRUCTURAL AND MUTAGENETIC ANALYSES OF A 1,3-1,4-BETA-GLUCANASE FROM PAECILOMYCES THERMOPHIL BIOCHIM.BIOPHYS.ACTA V.1844 366 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC GLC A:304;
B:304;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1O...
BGC BGC BGC A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WDX 1.9 Å EC: 3.2.1.73 THE COMPLEX STRUCTURE OF E113A WITH GLUCOTRIOSE PAECILOMYCES 13-14-BETA-GLUCANASE 13(4)-BETA-GLUCANASE PTLIC16A BETJELLYROLL FOLD HYDROLASE
Ref.: STRUCTURAL AND MUTAGENETIC ANALYSES OF A 1,3-1,4-BETA-GLUCANASE FROM PAECILOMYCES THERMOPHIL BIOCHIM.BIOPHYS.ACTA V.1844 366 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WDU - BGC C6 H12 O6 C([C@@H]1[....
2 3WDY - CBI C12 H22 O11 C([C@@H]1[....
3 3WDX - BGC BGC BGC n/a n/a
4 3WDV - CBI C12 H22 O11 C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WDU - BGC C6 H12 O6 C([C@@H]1[....
2 3WDY - CBI C12 H22 O11 C([C@@H]1[....
3 3WDX - BGC BGC BGC n/a n/a
4 3WDV - CBI C12 H22 O11 C([C@@H]1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2WNE - GLC BGC BGC BGC BGC BGC BGC n/a n/a
2 2W52 - BGC BGC BGC BGC n/a n/a
3 2W39 - BGC BGC n/a n/a
4 2WLQ - BGC BGC BGC ASO BGC BGC ASO n/a n/a
5 3WDU - BGC C6 H12 O6 C([C@@H]1[....
6 3WDY - CBI C12 H22 O11 C([C@@H]1[....
7 3WDX - BGC BGC BGC n/a n/a
8 3WDV - CBI C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC GLC; Similar ligands found: 270
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC GLC 1 1
2 MAN GLC 0.833333 1
3 LB2 0.833333 1
4 M3M 0.833333 1
5 BGC BGC BGC BGC BGC 0.754717 1
6 GLC BGC BGC BGC BGC BGC BGC 0.754717 1
7 GLC BGC BGC BGC 0.754717 1
8 BGC BGC BGC GLC BGC BGC 0.754717 1
9 BGC BGC BGC ASO BGC BGC ASO 0.754717 1
10 BGC BGC BGC 0.754717 1
11 BGC BGC BGC BGC BGC BGC BGC BGC 0.741379 1
12 BGC BGC BGC BGC 0.741379 1
13 CE8 0.735849 1
14 CEY 0.735849 1
15 BGC BGC BGC GLC 0.735849 1
16 BGC GLC GLC GLC 0.735849 1
17 GLC BGC BGC 0.735849 1
18 MLR 0.735849 1
19 MT7 0.735849 1
20 GLC GLC GLC GLC GLC GLC GLC GLC 0.735849 1
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.735849 1
22 BGC GLC GLC 0.735849 1
23 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.735849 1
24 GAL GAL GAL 0.735849 1
25 BMA MAN BMA 0.735849 1
26 BMA BMA BMA BMA BMA BMA 0.735849 1
27 BGC GLC GLC GLC GLC GLC GLC 0.735849 1
28 GLA GAL GLC 0.735849 1
29 MTT 0.735849 1
30 CE6 0.735849 1
31 GLC BGC BGC BGC BGC 0.735849 1
32 CE5 0.735849 1
33 BGC BGC BGC BGC BGC BGC 0.735849 1
34 MAN BMA BMA BMA BMA 0.735849 1
35 GLC GLC BGC 0.735849 1
36 BMA BMA BMA 0.735849 1
37 CTT 0.735849 1
38 CEX 0.735849 1
39 GLC GAL GAL 0.735849 1
40 B4G 0.735849 1
41 BGC GLC GLC GLC GLC 0.735849 1
42 GLC GLC BGC GLC GLC GLC GLC 0.735849 1
43 GLC BGC GLC 0.735849 1
44 BMA BMA BMA BMA BMA 0.735849 1
45 MAN BMA BMA 0.735849 1
46 GLC GLC GLC GLC GLC GLC GLC 0.735849 1
47 CT3 0.735849 1
48 DXI 0.735849 1
49 MAN MAN BMA BMA BMA BMA 0.735849 1
50 GLC BGC BGC BGC BGC BGC 0.735849 1
51 GLC GLC GLC GLC GLC 0.735849 1
52 CTR 0.735849 1
53 BMA BMA BMA BMA BMA BMA MAN 0.714286 0.970588
54 MAN BMA BMA BMA BMA BMA 0.714286 0.970588
55 LAT GLA 0.705882 1
56 BMA MAN MAN 0.701754 1
57 GLA GAL GAL 0.672414 1
58 GLA GAL BGC 0.672414 1
59 B2G 0.660377 1
60 GLC BGC 0.660377 1
61 GAL GLC 0.660377 1
62 GLA GLA 0.660377 1
63 CBI 0.660377 1
64 BGC BMA 0.660377 1
65 BMA GAL 0.660377 1
66 N9S 0.660377 1
67 MAB 0.660377 1
68 BGC GLC 0.660377 1
69 CBK 0.660377 1
70 GLA GAL 0.660377 1
71 GAL BGC 0.660377 1
72 MAL MAL 0.660377 0.970588
73 GLC GAL 0.660377 1
74 BGC GAL 0.660377 1
75 LAT 0.660377 1
76 BMA BMA 0.660377 1
77 LBT 0.660377 1
78 MAL 0.660377 1
79 GLC GLC GLC GLC GLC GLC 0.609375 1
80 MMA MAN 0.607143 0.942857
81 DR5 0.607143 0.942857
82 GLA EGA 0.603448 0.942857
83 G2F BGC BGC BGC BGC BGC 0.603175 0.868421
84 NAG GAL GAL NAG GAL 0.597222 0.6875
85 GAL GAL SO4 0.587302 0.702128
86 GLC GLC XYP 0.584615 1
87 P3M 0.584615 0.767442
88 BMA BMA GLA BMA BMA 0.58209 1
89 GLA GAL BGC 5VQ 0.580645 0.891892
90 GLC GLC GLC BGC 0.567164 1
91 MAL EDO 0.566667 0.942857
92 OXZ BGC BGC 0.560606 0.6875
93 G3I 0.560606 0.767442
94 G2I 0.560606 0.767442
95 BMA BMA MAN 0.559322 0.970588
96 BGC BGC G2F SHG 0.555556 0.846154
97 GLC GLC GLC GLC 0.553846 1
98 GLA GAL GLC NBU 0.553846 0.846154
99 MAN MAN 0.553571 1
100 BGC BGC 0.553571 1
101 2M4 0.553571 1
102 GAL NGA GLA BGC GAL 0.552632 0.733333
103 CGC 0.548387 0.941176
104 MAN BMA MAN MAN MAN 0.544118 1
105 M5S 0.544118 1
106 GLC GLC XYS 0.544118 0.970588
107 SOR GLC GLC GLC 0.536232 0.970588
108 U63 0.533333 0.891892
109 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.526316 0.942857
110 BGC BGC BGC XYS BGC BGC 0.526316 0.942857
111 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.526316 0.942857
112 M13 0.525424 0.942857
113 GAL MBG 0.525424 0.942857
114 MDM 0.525424 0.942857
115 NGA GLA GAL BGC 0.519481 0.733333
116 BMA MAN 0.516667 0.914286
117 LAG 0.514286 0.6
118 GLO GLC GLC GLC 0.513514 0.942857
119 GAL NAG GAL FUC 0.512821 0.717391
120 GLA NAG GAL FUC 0.512821 0.717391
121 GAL FUC 0.508197 0.941176
122 SOR GLC GLC 0.507246 0.970588
123 GLA GAL NAG 0.507042 0.733333
124 NAG GAL GAL 0.507042 0.733333
125 MAN BMA NAG 0.507042 0.733333
126 GLC GAL NAG GAL 0.506494 0.733333
127 MVP 0.5 0.733333
128 LAT NAG GAL 0.5 0.733333
129 BGC GAL NAG GAL 0.5 0.733333
130 MAN MAN MAN GLC 0.5 1
131 ABD 0.5 0.75
132 GAL NAG GAL BGC 0.5 0.733333
133 GLC GLC BGC XYS BGC XYS 0.5 0.942857
134 NGA GAL BGC 0.5 0.733333
135 BGC BGC XYS BGC 0.493333 0.942857
136 UMQ 0.492754 0.785714
137 LMT 0.492754 0.785714
138 DMU 0.492754 0.785714
139 LMU 0.492754 0.785714
140 NGA GAL 0.492537 0.733333
141 GAL NAG 0.492537 0.733333
142 NAG GAL 0.492537 0.733333
143 TRE 0.490196 1
144 GLC GLC G6D ACI GLC GLC GLC 0.488095 0.785714
145 BGC RAM BGC GAD 0.488095 0.846154
146 BGC BGC BGC XYS GAL 0.487179 0.942857
147 GAL BGC NAG GAL 0.486842 0.733333
148 GLO GLC GLC 0.486486 0.942857
149 RCB 0.486486 0.622642
150 FUC BGC GAL 0.485294 0.970588
151 NLC 0.484848 0.733333
152 GAL NDG 0.484848 0.733333
153 NDG GAL 0.484848 0.733333
154 NOY BGC 0.47619 0.75
155 GLA MBG 0.474576 0.942857
156 6UZ 0.472222 0.846154
157 NAG MAN GAL MAN MAN NAG GAL 0.471264 0.6875
158 MAN MAN BMA 0.46875 1
159 DOM 0.467742 0.942857
160 GAL BGC BGC XYS 0.466667 0.942857
161 MAN MAN MAN MAN 0.464789 1
162 MAN MAN BMA MAN 0.464789 1
163 GAL A2G 0.462687 0.733333
164 A2G GAL 0.462687 0.733333
165 GAL NGA 0.462687 0.733333
166 BGC GLA GAL FUC 0.460526 0.970588
167 CM5 0.460526 0.891892
168 NPJ 0.459459 0.622642
169 NAG GAL GAL NAG 0.455696 0.6875
170 GAL NAG GAL NAG GAL NAG 0.455696 0.673469
171 NAG GAL BGC 0.454545 0.733333
172 MA4 0.454545 0.891892
173 QV4 0.453488 0.733333
174 GAL NAG MAN 0.453333 0.733333
175 MAN NAG GAL 0.453333 0.733333
176 5QP 0.453125 0.885714
177 FUC GLA GLA 0.449275 0.970588
178 FUC GAL GLA 0.449275 0.970588
179 GLA GAL FUC 0.449275 0.970588
180 GAL GAL FUC 0.449275 0.970588
181 GLA GLA FUC 0.449275 0.970588
182 47N 0.447761 0.891892
183 AAL GAL 0.447761 0.891892
184 BGC BGC BGC XYS BGC XYS GAL 0.447059 0.942857
185 GAL BGC BGC BGC XYS BGC XYS 0.447059 0.942857
186 MAN MNM 0.446154 0.75
187 10M 0.445946 0.733333
188 GLC BGC BGC BGC XYS BGC XYS XYS 0.445783 0.916667
189 GLC GLC GLC G6D ADH GLC 0.444444 0.6875
190 NAG BMA 0.442857 0.653061
191 BGC BGC SGC MGL 0.441558 0.868421
192 MAN MAN MAN BMA MAN 0.441558 1
193 MGL SGC GLC GLC 0.441558 0.868421
194 8VZ 0.441176 0.673469
195 GLC G6D ACI GLC 0.440476 0.785714
196 GLC ACI G6D BGC 0.440476 0.785714
197 GLC ACI GLD GLC 0.440476 0.785714
198 GLC G6D ADH GLC 0.440476 0.785714
199 NOJ GLC 0.439394 0.727273
200 FMO 0.439394 0.868421
201 4MU BGC BGC BGC BGC 0.439024 0.767442
202 FUC BGC GAL NAG GAL 0.438202 0.717391
203 BGC BGC XYS BGC XYS BGC XYS 0.4375 0.942857
204 BGC BGC BGC XYS BGC XYS XYS 0.4375 0.942857
205 GLC BGC BGC XYS BGC XYS XYS 0.4375 0.942857
206 MAN MAN MAN MAN MAN MAN MAN MAN 0.436782 0.846154
207 FUC GAL NAG GAL FUC 0.435294 0.702128
208 AAO 0.433333 0.733333
209 ACR GLC GLC GLC 0.433333 0.733333
210 GLC GLC ACI G6D GLC GLC 0.433333 0.733333
211 GLC GLC DAF BGC 0.433333 0.733333
212 ARE 0.433333 0.733333
213 GLC GLC AGL HMC GLC 0.433333 0.733333
214 SGA BGC 0.432836 0.702128
215 LSE 0.432432 0.6875
216 FUC LAT 0.430556 0.970588
217 GLC GAL FUC 0.430556 0.970588
218 FUC GAL GLC 0.430556 0.970588
219 LAT FUC 0.430556 0.970588
220 BGC GAL FUC 0.430556 0.970588
221 GAL NAG GAL 0.43038 0.702128
222 NAG NAG BMA MAN 0.430233 0.634615
223 T6P 0.428571 0.767442
224 RZM 0.428571 0.688889
225 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.426966 0.942857
226 GLC BGC BGC XYS BGC XYS XYS GAL 0.426966 0.942857
227 GAL BGC BGC BGC XYS XYS 0.426966 0.942857
228 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.426966 0.942857
229 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.426966 0.942857
230 4MU BGC BGC 0.426829 0.767442
231 GLA MAN ABE 0.426667 0.916667
232 GTM BGC BGC 0.426667 0.868421
233 9MR 0.424242 0.744186
234 BMA IFM 0.424242 0.744186
235 IFM BMA 0.424242 0.744186
236 ISX 0.424242 0.761905
237 BGC OXZ 0.424242 0.666667
238 IFM BGC 0.424242 0.744186
239 MAN MMA MAN 0.422535 0.942857
240 TXT 0.421687 0.767442
241 ACI GLD GLC GAL 0.421687 0.785714
242 DAF GLC GLC 0.421687 0.785714
243 GAC 0.421687 0.767442
244 DAF BGC GLC 0.421687 0.785714
245 5GO 0.42029 0.66
246 GAL NGA A2G 0.418919 0.673469
247 GLC DMJ 0.41791 0.727273
248 BMA BMA BMA BMA GLA BMA GLA 0.417582 0.846154
249 ABL 0.411765 0.702128
250 GLC GLC FRU 0.410256 0.868421
251 4MU MAN MAN 0.409639 0.767442
252 BGC BGC ZZ1 0.409639 0.767442
253 BMA FRU 0.409091 0.842105
254 FRU GAL 0.409091 0.842105
255 DEL 0.409091 0.970588
256 NAG NDG BMA 0.407407 0.634615
257 NAG NAG BMA 0.407407 0.634615
258 GAL GAL GLC EMB MEC 0.406593 0.622642
259 DAF GLC DAF GLC GLC 0.404494 0.75
260 BGC GLC AC1 GLC GLC GLC AC1 0.404494 0.75
261 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.404494 0.75
262 AC1 GLC AC1 BGC 0.404494 0.75
263 ACI G6D GLC ACI G6D BGC 0.404494 0.75
264 ACI GLD GLC ACI G6D BGC 0.404494 0.75
265 GLA GAL NAG FUC GAL GLC 0.404255 0.717391
266 VAM 0.402985 0.868421
267 GLF B8D 0.402985 0.775
268 NAG BMA MAN MAN MAN MAN 0.402299 0.733333
269 GAL MGC 0.4 0.702128
270 MAN 7D1 0.4 0.888889
Ligand no: 2; Ligand: BGC BGC BGC; Similar ligands found: 229
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC 1 1
2 GLC BGC BGC BGC 1 1
3 GLC BGC BGC BGC BGC BGC BGC 1 1
4 BGC BGC BGC BGC BGC 1 1
5 BGC BGC BGC ASO BGC BGC ASO 1 1
6 BGC BGC BGC GLC BGC BGC 1 1
7 MAN GLC 0.888889 1
8 M3M 0.888889 1
9 LB2 0.888889 1
10 BGC BGC GLC 0.754717 1
11 P3M 0.754386 0.767442
12 BMA MAN MAN 0.709091 1
13 GLA GAL GAL 0.709091 1
14 GLA GAL BGC 0.709091 1
15 BGC BGC BGC BGC 0.689655 1
16 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
17 NAG GAL GAL NAG GAL 0.647059 0.6875
18 M13 0.641509 0.942857
19 MDM 0.641509 0.942857
20 GAL MBG 0.641509 0.942857
21 MAN MAN MAN GLC 0.622951 1
22 MAN BMA MAN MAN MAN 0.619048 1
23 M5S 0.619048 1
24 GAL GAL SO4 0.616667 0.702128
25 BMA BMA MAN 0.589286 0.970588
26 2M4 0.584906 1
27 BGC BGC 0.584906 1
28 MAN MAN 0.584906 1
29 GLC GLC GLC GLC 0.580645 1
30 CGC 0.576271 0.941176
31 MAN BMA NAG 0.575758 0.733333
32 GLA GAL NAG 0.575758 0.733333
33 NAG GAL GAL 0.575758 0.733333
34 GAL GLC 0.545455 1
35 BGC GAL 0.545455 1
36 GLA GLA 0.545455 1
37 BMA GAL 0.545455 1
38 GAL BGC 0.545455 1
39 CBK 0.545455 1
40 CBI 0.545455 1
41 BGC BMA 0.545455 1
42 MAB 0.545455 1
43 GLA GAL 0.545455 1
44 BMA BMA 0.545455 1
45 GLC GAL 0.545455 1
46 LBT 0.545455 1
47 LAT 0.545455 1
48 BGC GLC 0.545455 1
49 GLC BGC 0.545455 1
50 MAL 0.545455 1
51 N9S 0.545455 1
52 B2G 0.545455 1
53 MAL MAL 0.545455 0.970588
54 MAN BMA BMA BMA BMA 0.534483 1
55 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
56 GAL GAL GAL 0.534483 1
57 GLC GAL GAL 0.534483 1
58 GLC GLC BGC 0.534483 1
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
60 GLC GLC GLC GLC GLC 0.534483 1
61 GLA GAL GLC 0.534483 1
62 BMA BMA BMA 0.534483 1
63 BGC BGC BGC BGC BGC BGC 0.534483 1
64 CE6 0.534483 1
65 GLC BGC BGC BGC BGC 0.534483 1
66 MLR 0.534483 1
67 BMA MAN BMA 0.534483 1
68 GLC GLC GLC GLC GLC GLC GLC 0.534483 1
69 CEY 0.534483 1
70 GLC BGC BGC 0.534483 1
71 GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
72 BGC GLC GLC 0.534483 1
73 B4G 0.534483 1
74 MT7 0.534483 1
75 MAN MAN BMA BMA BMA BMA 0.534483 1
76 BMA BMA BMA BMA BMA 0.534483 1
77 CEX 0.534483 1
78 BMA BMA BMA BMA BMA BMA 0.534483 1
79 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
80 BGC GLC GLC GLC GLC 0.534483 1
81 MTT 0.534483 1
82 CE5 0.534483 1
83 CT3 0.534483 1
84 CE8 0.534483 1
85 CTR 0.534483 1
86 CTT 0.534483 1
87 BGC GLC GLC GLC 0.534483 1
88 DXI 0.534483 1
89 GLC BGC GLC 0.534483 1
90 MAN BMA BMA 0.534483 1
91 GLC GLC BGC GLC GLC GLC GLC 0.534483 1
92 GLC BGC BGC BGC BGC BGC 0.534483 1
93 BGC BGC BGC GLC 0.534483 1
94 MAN MAN MAN MAN 0.530303 1
95 MAN MAN BMA MAN 0.530303 1
96 MAN BMA BMA BMA BMA BMA 0.52459 0.970588
97 BMA BMA BMA BMA BMA BMA MAN 0.52459 0.970588
98 TRE 0.520833 1
99 GAL NAG GAL BGC 0.520548 0.733333
100 LAT NAG GAL 0.520548 0.733333
101 BGC GAL NAG GAL 0.520548 0.733333
102 BMA MAN 0.517241 0.914286
103 NAG GAL 0.515625 0.733333
104 NGA GAL 0.515625 0.733333
105 GAL NAG 0.515625 0.733333
106 GLA NAG GAL FUC 0.513158 0.717391
107 GAL NAG GAL FUC 0.513158 0.717391
108 GAL NGA GLA BGC GAL 0.513158 0.733333
109 GAL FUC 0.508475 0.941176
110 GLC GAL NAG GAL 0.506667 0.733333
111 NOY BGC 0.5 0.75
112 LAT GLA 0.5 1
113 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
114 AAL GAL AAL GAL 0.493333 0.891892
115 NAG GAL GAL NAG 0.493333 0.6875
116 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
117 AAL GAL AAL GLA 0.493333 0.891892
118 MAN MAN BMA 0.491803 1
119 MAN MMA MAN 0.484848 0.942857
120 FUC BGC GAL 0.484848 0.970588
121 GAL A2G 0.484375 0.733333
122 A2G GAL 0.484375 0.733333
123 GAL NGA 0.484375 0.733333
124 U63 0.483333 0.891892
125 NGA GLA GAL BGC 0.480519 0.733333
126 MAN MAN MAN BMA MAN 0.479452 1
127 GLA EGA 0.47541 0.942857
128 DR5 0.474576 0.942857
129 MMA MAN 0.474576 0.942857
130 GLA MBG 0.473684 0.942857
131 NAG GAL BGC 0.472973 0.733333
132 FUC BGC GAL NAG GAL 0.470588 0.717391
133 GLA GLA FUC 0.469697 0.970588
134 GAL GAL FUC 0.469697 0.970588
135 GLA GAL FUC 0.469697 0.970588
136 FUC GAL GLA 0.469697 0.970588
137 FUC GLA GLA 0.469697 0.970588
138 47N 0.46875 0.891892
139 AAL GAL 0.46875 0.891892
140 DOM 0.466667 0.942857
141 NAG NAG BMA MAN 0.463415 0.634615
142 NOJ GLC 0.460317 0.727273
143 GLC DMJ 0.460317 0.727273
144 GLA MAN RAM TYV GLA MAN RAM TYV 0.454545 0.868421
145 GLA MAN RAM ABE GLA MAN RAM ABE 0.454545 0.868421
146 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
147 OPM MAN MAN 0.452055 0.804878
148 5QP 0.451613 0.885714
149 FUC BGC GAL NAG 0.451219 0.717391
150 T6P 0.45 0.767442
151 RZM 0.45 0.688889
152 GLC GLC GLC GLC GLC GLC 0.449275 1
153 IFM BGC 0.444444 0.744186
154 IFM BMA 0.444444 0.744186
155 MAN MNM 0.444444 0.75
156 BMA IFM 0.444444 0.744186
157 9MR 0.444444 0.744186
158 GLA MAN ABE 0.444444 0.916667
159 MAL EDO 0.444444 0.942857
160 BGC OXZ 0.444444 0.666667
161 MAN 7D1 0.442623 0.888889
162 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
163 NLC 0.439394 0.733333
164 NDG GAL 0.439394 0.733333
165 GAL NDG 0.439394 0.733333
166 GAL MGC 0.439394 0.702128
167 WZ3 0.438356 0.916667
168 FMO 0.4375 0.868421
169 GAL NGA A2G 0.43662 0.673469
170 NAG GAL NAG 0.434211 0.6875
171 NAG BMA MAN MAN MAN MAN 0.433735 0.733333
172 BMA BMA GLA BMA BMA 0.430556 1
173 AAL GAL AAL GAL AAL GAL AAL GAL 0.430233 0.825
174 GLC GLC XYP 0.428571 1
175 FRU GAL 0.428571 0.842105
176 BMA FRU 0.428571 0.842105
177 GLA MAN RAM RAM ABE MAN GLA 0.425532 0.868421
178 BGC BGC ZZ1 0.425 0.767442
179 4MU MAN MAN 0.425 0.767442
180 BGC GLA GAL FUC 0.421053 0.970588
181 NAG BMA 0.42029 0.653061
182 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
183 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
184 GLA GAL BGC 5VQ 0.41791 0.891892
185 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
186 GLC GLC GLC BGC 0.416667 1
187 FUC GAL NAG GAL FUC 0.416667 0.702128
188 BGC BGC G2F SHG 0.415584 0.846154
189 NAG BMA MAN MAN MAN MAN MAN 0.4125 0.868421
190 KHO 0.409836 0.888889
191 MAN BMA 0.409836 1
192 BGC GLA 0.409836 1
193 BMA GLA 0.409836 1
194 GLA BGC 0.409836 1
195 GLA BMA 0.409836 1
196 GLA GLC 0.409836 1
197 MLB 0.409836 1
198 LAK 0.409836 1
199 GAL GAL 0.409836 1
200 MVP 0.409091 0.733333
201 ABL 0.409091 0.702128
202 FUC GAL NAG GAL BGC 0.409091 0.717391
203 SGA BGC 0.409091 0.702128
204 G2I 0.408451 0.767442
205 G3I 0.408451 0.767442
206 OXZ BGC BGC 0.408451 0.6875
207 WOO 0.408163 0.848485
208 BGC 0.408163 0.848485
209 GXL 0.408163 0.848485
210 GAL 0.408163 0.848485
211 GLC 0.408163 0.848485
212 ALL 0.408163 0.848485
213 MAN 0.408163 0.848485
214 GLA 0.408163 0.848485
215 BMA 0.408163 0.848485
216 GIV 0.408163 0.848485
217 GAL BGC BGC XYS 0.407895 0.942857
218 MAN DGO 0.40625 0.914286
219 GLA MMA ABE 0.405405 0.868421
220 GLC GLC BGC XYS BGC XYS 0.405063 0.942857
221 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
222 MAN MAN NAG MAN NAG 0.404494 0.6875
223 NAG MAN GAL MAN MAN NAG GAL 0.404494 0.6875
224 NAG NAG BMA MAN MAN 0.404494 0.6875
225 3MG 0.403846 0.857143
226 SOR GLC GLC 0.402778 0.970588
227 GLA GAL GLC NBU 0.4 0.846154
228 2M8 0.4 0.911765
229 ISX 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WDX; Ligand: BGC BGC BGC; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 3wdx.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E3N 6CM 0.01239 0.40694 1.96078
2 2WSA MYA 0.02247 0.42607 3.02013
3 2WSA 646 0.02247 0.42607 3.02013
4 3STK PLM 0.01031 0.41175 3.0303
5 3E8T UQ8 0.007613 0.43551 3.18182
6 1DY4 SNP 0.009709 0.43393 3.69128
7 4ZZW CBI 0.01032 0.41397 4.02685
8 4BKJ STI 0.005751 0.41249 4.02685
9 1Y0G 8PP 0.005884 0.4315 4.18848
10 3ILR IXD 0.0135 0.41799 5.36913
11 3ILR SGN IXD 0.01517 0.41799 5.36913
12 3ILR SGN 0.0135 0.41799 5.36913
13 2RG0 CTT 0.007172 0.41262 5.7047
14 2RFZ CTR 0.004681 0.40959 5.7047
15 3WSJ MK1 0.005548 0.42163 6.03448
16 3E85 BSU 0.02196 0.40174 6.96203
17 3G08 FEE 0.03091 0.40521 7.07071
18 1ERB ETR 0.01258 0.40029 8.74317
19 4XT2 43L 0.006486 0.40696 9.40171
20 3B00 16A 0.000004607 0.49237 10.2941
21 4BPZ GLC BGC BGC 0.00000208 0.49173 14.4531
Pocket No.: 2; Query (leader) PDB : 3WDX; Ligand: BGC BGC GLC; Similar sites found: 51
This union binding pocket(no: 2) in the query (biounit: 3wdx.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IH9 6BF 0.004164 0.42752 2.34899
2 1ST0 GTG 0.01267 0.40458 2.34899
3 3AGC RCC 0.009004 0.40361 2.53623
4 3STK PLM 0.00216 0.43911 3.0303
5 3E8T UQ8 0.004281 0.44412 3.18182
6 5ML3 DL3 0.01832 0.40055 3.3557
7 1DY4 SNP 0.002145 0.46224 3.69128
8 2OVW CBI 0.00009494 0.42483 3.69128
9 2QO4 CHD 0.005924 0.41437 3.96825
10 1OJJ GLC GAL 0.00007722 0.4329 4.02685
11 1OJK GLC BGC 0.00008184 0.43216 4.02685
12 4ZZW CBI 0.00477 0.42601 4.02685
13 4WVO 3UZ 0.01009 0.40143 4.02685
14 4BKJ STI 0.008931 0.40084 4.02685
15 4ZSI GLP 0.001409 0.41587 4.09357
16 4ZSI 4R1 0.002477 0.40417 4.09357
17 2ZCQ B65 0.0245 0.40032 4.09556
18 1Y0G 8PP 0.005903 0.42807 4.18848
19 4FHD EEM 0.008454 0.4101 4.36242
20 4FHD 0TT 0.008454 0.4101 4.36242
21 1QIN GIP 0.01064 0.40563 4.37158
22 1WUB OTP 0.007584 0.42305 4.49438
23 4WUP 3UF 0.03065 0.40126 4.61538
24 5E89 TD2 0.002576 0.4009 5.03597
25 3ILR IXD 0.00356 0.44201 5.36913
26 3ILR SGN IXD 0.004051 0.44201 5.36913
27 3ILR SGN 0.00356 0.44201 5.36913
28 2ZHL NAG GAL GAL NAG 0.0003627 0.47778 5.40541
29 4QA8 PJZ 0.0007796 0.44492 5.67686
30 2RG0 CTT 0.0006684 0.45462 5.7047
31 1EWF PC1 0.01347 0.40964 5.7047
32 2RFZ CTR 0.005069 0.40059 5.7047
33 2FTB OLA 0.01195 0.40686 6.4
34 4YLZ LAT NAG GAL 0.00009022 0.41185 6.53595
35 5A5W GUO 0.02139 0.40037 6.71937
36 3E85 BSU 0.01345 0.40869 6.96203
37 3G08 FEE 0.008794 0.42852 7.07071
38 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.013 0.4052 7.07071
39 4U0W 16G 0.0005753 0.43529 8.53659
40 1T27 PCW 0.01693 0.40692 9.22509
41 3VQ2 LP4 LP5 MYR DAO 0.01085 0.41587 9.39597
42 4XT2 43L 0.003616 0.41452 9.40171
43 2WT2 GAL NAG GAL NAG GAL NAG 0.00591 0.40862 9.73154
44 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.01654 0.40153 10.2041
45 3B00 16A 0.0000004699 0.51671 10.2941
46 1URX AAL GAL AAL GLA 0.00009008 0.44856 10.7383
47 3RUG DB6 0.01754 0.40796 11.2745
48 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.01189 0.40584 12.3711
49 4WO4 JLS 0.006471 0.42427 13
50 4BPZ GLC BGC BGC 0.0000001811 0.51566 14.4531
51 3QUZ QUV 0.01326 0.41854 16.1826
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