Receptor
PDB id Resolution Class Description Source Keywords
5H9Y 1.97 Å EC: 3.2.1.39 CRYSTAL STRUCTURE OF GH FAMILY 64 LAMINARIPENTAOSE-PRODUCING GLUCANASE FROM PAENIBACILLUS BARENGOLTZII COMPLEXED WITH L AMINARIHEXAOSE. PAENIBACILLUS BARENGOLTZII BETA-1 3-GLUCAN RECOGNITION GLYCOSIDE HYDROLASE FAMILY 64GLUCANASE GH64-TLP-SF SUPERFAMILY HYDROLASE
Ref.: THE RECOGNITION MECHANISM OF TRIPLE-HELICAL BETA-1, BY A BETA-1,3-GLUCANASE CHEM. COMMUN. (CAMB.) V. 53 9368 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:510;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
BGC BGC BGC BGC A:506;
Valid;
none;
submit data
666.579 n/a O(C1O...
BGC BGC BGC BGC BGC A:501;
Valid;
none;
submit data
828.72 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H9Y 1.97 Å EC: 3.2.1.39 CRYSTAL STRUCTURE OF GH FAMILY 64 LAMINARIPENTAOSE-PRODUCING GLUCANASE FROM PAENIBACILLUS BARENGOLTZII COMPLEXED WITH L AMINARIHEXAOSE. PAENIBACILLUS BARENGOLTZII BETA-1 3-GLUCAN RECOGNITION GLYCOSIDE HYDROLASE FAMILY 64GLUCANASE GH64-TLP-SF SUPERFAMILY HYDROLASE
Ref.: THE RECOGNITION MECHANISM OF TRIPLE-HELICAL BETA-1, BY A BETA-1,3-GLUCANASE CHEM. COMMUN. (CAMB.) V. 53 9368 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5H9Y - BGC BGC BGC BGC 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 5 families.
1 5H9Y - BGC BGC BGC BGC 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 3 families.
1 5H9Y - BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC BGC; Similar ligands found: 276
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC BGC 1 1
2 BGC BGC BGC BGC BGC BGC BGC BGC 1 1
3 GLA GAL GAL 0.924528 1
4 GLA GAL BGC 0.924528 1
5 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
6 B4G 0.830189 1
7 CEX 0.830189 1
8 CE8 0.830189 1
9 CT3 0.830189 1
10 DXI 0.830189 1
11 BGC GLC GLC GLC GLC 0.830189 1
12 CTT 0.830189 1
13 BGC GLC GLC GLC 0.830189 1
14 MAN MAN BMA BMA BMA BMA 0.830189 1
15 GLC GAL GAL 0.830189 1
16 MAN BMA BMA BMA BMA 0.830189 1
17 GAL GAL GAL 0.830189 1
18 BGC GLC GLC GLC GLC GLC GLC 0.830189 1
19 GLA GAL GLC 0.830189 1
20 MTT 0.830189 1
21 MT7 0.830189 1
22 GLC BGC BGC 0.830189 1
23 CEY 0.830189 1
24 BMA BMA BMA 0.830189 1
25 GLC BGC BGC BGC BGC BGC 0.830189 1
26 BGC BGC BGC GLC 0.830189 1
27 GLC BGC GLC 0.830189 1
28 MLR 0.830189 1
29 BGC GLC GLC 0.830189 1
30 GLC GLC BGC 0.830189 1
31 BMA MAN BMA 0.830189 1
32 BMA BMA BMA BMA BMA BMA 0.830189 1
33 CTR 0.830189 1
34 GLC BGC BGC BGC BGC 0.830189 1
35 GLC GLC GLC GLC GLC GLC GLC GLC 0.830189 1
36 BMA BMA BMA BMA BMA 0.830189 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.830189 1
38 BGC BGC BGC BGC BGC BGC 0.830189 1
39 CE6 0.830189 1
40 CE5 0.830189 1
41 GLC GLC GLC GLC GLC GLC GLC 0.830189 1
42 MAN BMA BMA 0.830189 1
43 GLC GLC GLC GLC GLC 0.830189 1
44 GLC GLC BGC GLC GLC GLC GLC 0.830189 1
45 MAN BMA BMA BMA BMA BMA 0.77193 0.970588
46 BMA BMA BMA BMA BMA BMA MAN 0.77193 0.970588
47 GLA GAL 0.754717 1
48 GLC BGC 0.754717 1
49 BMA BMA 0.754717 1
50 BGC BMA 0.754717 1
51 GLA GLA 0.754717 1
52 BGC GAL 0.754717 1
53 CBI 0.754717 1
54 BGC GLC 0.754717 1
55 GAL GLC 0.754717 1
56 BMA GAL 0.754717 1
57 N9S 0.754717 1
58 B2G 0.754717 1
59 GLC GAL 0.754717 1
60 MAB 0.754717 1
61 LBT 0.754717 1
62 GAL BGC 0.754717 1
63 CBK 0.754717 1
64 LAT 0.754717 1
65 MAL MAL 0.754717 0.970588
66 MAL 0.754717 1
67 BGC BGC GLC 0.741379 1
68 GAL NGA GLA BGC GAL 0.732394 0.733333
69 NGA GLA GAL BGC 0.694444 0.733333
70 BGC BGC BGC ASO BGC BGC ASO 0.689655 1
71 GLC BGC BGC BGC 0.689655 1
72 BGC BGC BGC BGC BGC 0.689655 1
73 BGC BGC BGC GLC BGC BGC 0.689655 1
74 GLC BGC BGC BGC BGC BGC BGC 0.689655 1
75 BGC BGC BGC 0.689655 1
76 GLC GAL NAG GAL 0.680556 0.733333
77 LAT NAG GAL 0.676056 0.733333
78 BGC GAL NAG GAL 0.676056 0.733333
79 GAL NAG GAL BGC 0.676056 0.733333
80 BMA BMA GLA BMA BMA 0.656716 1
81 LAT GLA 0.642857 1
82 GLC GLC GLC BGC 0.641791 1
83 NAG GAL BGC 0.625 0.733333
84 LB2 0.603448 1
85 M3M 0.603448 1
86 MAN GLC 0.603448 1
87 NAG GAL GAL 0.6 0.733333
88 MAN BMA NAG 0.6 0.733333
89 GLA GAL NAG 0.6 0.733333
90 GLC GLC GLC GLC GLC GLC 0.588235 1
91 SGA BGC 0.578125 0.702128
92 MAN MAN MAN GLC 0.573529 1
93 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.571429 0.942857
94 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.571429 0.942857
95 BGC BGC BGC XYS BGC BGC 0.571429 0.942857
96 NGA GAL BGC 0.569444 0.733333
97 ABD 0.564103 0.75
98 5GO 0.560606 0.66
99 NAG GAL GAL NAG GAL 0.558442 0.6875
100 MMA MAN 0.557377 0.942857
101 M13 0.557377 0.942857
102 DR5 0.557377 0.942857
103 MDM 0.557377 0.942857
104 GAL MBG 0.557377 0.942857
105 GLA EGA 0.555556 0.942857
106 BGC GLA GAL FUC 0.546667 0.970588
107 GLC GLC BGC XYS BGC XYS 0.545455 0.942857
108 GLC GLC XYP 0.542857 1
109 P3M 0.542857 0.767442
110 BGC BGC XYS BGC 0.539474 0.942857
111 GLA GAL NAG FUC GAL GLC 0.539326 0.717391
112 GAL NAG GAL NAG GAL NAG 0.538462 0.673469
113 NAG GAL GAL NAG 0.538462 0.6875
114 GLA GAL BGC 5VQ 0.537313 0.891892
115 G2F BGC BGC BGC BGC BGC 0.536232 0.868421
116 FUC GAL NAG GAL BGC 0.534884 0.717391
117 BGC BGC BGC XYS GAL 0.531646 0.942857
118 MAL EDO 0.523077 0.942857
119 BMA MAN MAN 0.522388 1
120 U63 0.515625 0.891892
121 BMA BMA MAN 0.515625 0.970588
122 GLA GAL GLC NBU 0.514286 0.846154
123 GLC GLC G6D ACI GLC GLC GLC 0.511628 0.785714
124 GLC GAL NAG GAL FUC FUC 0.511111 0.702128
125 BGC GAL NAG GAL FUC FUC 0.511111 0.702128
126 BGC BGC 0.508197 1
127 MAN MAN 0.508197 1
128 2M4 0.508197 1
129 OXZ BGC BGC 0.5 0.6875
130 GAL GAL SO4 0.5 0.702128
131 FUC GAL GLC 0.5 0.970588
132 BGC GAL FUC 0.5 0.970588
133 LAT FUC 0.5 0.970588
134 GLC GAL FUC 0.5 0.970588
135 G2I 0.5 0.767442
136 FUC LAT 0.5 0.970588
137 G3I 0.5 0.767442
138 FUC BGC GAL NAG GAL 0.494382 0.717391
139 MAN MAN BMA MAN 0.493151 1
140 MAN MAN MAN MAN 0.493151 1
141 GAL FUC 0.492308 0.941176
142 AAO 0.488889 0.733333
143 GLC GLC DAF BGC 0.488889 0.733333
144 ACR GLC GLC GLC 0.488889 0.733333
145 ARE 0.488889 0.733333
146 GLC GLC ACI G6D GLC GLC 0.488889 0.733333
147 GLC GLC AGL HMC GLC 0.488889 0.733333
148 BGC BGC BGC XYS BGC XYS GAL 0.488372 0.942857
149 GAL BGC BGC BGC XYS BGC XYS 0.488372 0.942857
150 MAN BMA MAN MAN MAN 0.486486 1
151 M5S 0.486486 1
152 GLC GLC XYS 0.486486 0.970588
153 GLC GLC GLC G6D ADH GLC 0.483516 0.6875
154 BGC BGC BGC XYS BGC XYS XYS 0.481481 0.942857
155 BGC BGC XYS BGC XYS BGC XYS 0.481481 0.942857
156 GLC BGC BGC XYS BGC XYS XYS 0.481481 0.942857
157 BGC BGC G2F SHG 0.481013 0.846154
158 LAG 0.48 0.6
159 SOR GLC GLC GLC 0.48 0.970588
160 A2G GAL NAG FUC GAL GLC 0.479167 0.673469
161 GLC GAL NAG GAL FUC A2G 0.479167 0.673469
162 GAL GAL GLC EMB MEC 0.477778 0.622642
163 BMA MAN 0.476923 0.914286
164 GAL BGC BGC XYS 0.474359 0.942857
165 GLC GLC FRU 0.474359 0.868421
166 NLC 0.471429 0.733333
167 NDG GAL 0.471429 0.733333
168 GAL NDG 0.471429 0.733333
169 NAG NAG BMA MAN 0.471264 0.634615
170 GLC BGC BGC BGC XYS BGC XYS XYS 0.470588 0.916667
171 MAN MAN MAN BMA MAN 0.468354 1
172 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.466667 0.942857
173 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.466667 0.942857
174 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.466667 0.942857
175 GLC BGC BGC XYS BGC XYS XYS GAL 0.466667 0.942857
176 GAL BGC BGC BGC XYS XYS 0.466667 0.942857
177 GLC G6D ADH GLC 0.465116 0.785714
178 GLC G6D ACI GLC 0.465116 0.785714
179 GLC ACI G6D BGC 0.465116 0.785714
180 GLC ACI GLD GLC 0.465116 0.785714
181 TXT 0.464286 0.767442
182 ACI GLD GLC GAL 0.464286 0.785714
183 DAF BGC GLC 0.464286 0.785714
184 DAF GLC GLC 0.464286 0.785714
185 GAC 0.464286 0.767442
186 MVP 0.463768 0.733333
187 DEL 0.462687 0.970588
188 NAG GAL NAG 0.4625 0.6875
189 GLO GLC GLC GLC 0.4625 0.942857
190 NAG BMA MAN MAN MAN MAN 0.45977 0.733333
191 DMU 0.459459 0.785714
192 UMQ 0.459459 0.785714
193 LMU 0.459459 0.785714
194 LMT 0.459459 0.785714
195 GAL BGC NAG GAL 0.45679 0.733333
196 MAN MAN BMA 0.455882 1
197 RCB 0.455696 0.622642
198 SOR GLC GLC 0.453333 0.970588
199 4MU MAN MAN 0.452381 0.767442
200 BGC BGC ZZ1 0.452381 0.767442
201 GLC GLC GLC GLC 0.452055 1
202 FUC BGC GAL 0.452055 0.970588
203 GLC AGL GLC HMC 0.450549 0.717391
204 GLC GLC GLC PO4 SGC GLC 0.449438 0.673469
205 ACR 0.448276 0.733333
206 QPS 0.448276 0.733333
207 4MU BGC BGC BGC BGC 0.447059 0.767442
208 GLA MAN RAM ABE GLA MAN RAM ABE 0.446809 0.868421
209 GLA MAN RAM TYV GLA MAN RAM TYV 0.446809 0.868421
210 TRE 0.446429 1
211 NAG NAG BMA MAN MAN 0.445652 0.6875
212 MAN MAN NAG MAN NAG 0.445652 0.6875
213 QV4 0.444444 0.733333
214 GLC ACI GLD GAL 0.444444 0.733333
215 GLC ACI G6D GLC 0.444444 0.733333
216 GAL NAG MAN 0.443038 0.733333
217 MAN NAG GAL 0.443038 0.733333
218 CGC 0.442857 0.941176
219 6UZ 0.441558 0.846154
220 GLA MBG 0.4375 0.942857
221 GLO GLC GLC 0.4375 0.942857
222 ACR GLC 0.436782 0.733333
223 ACR GLC GLC GLC GLC 0.436782 0.733333
224 4MU BGC BGC 0.435294 0.767442
225 MAN MMA MAN 0.432432 0.942857
226 MGL SGC GLC GLC 0.432099 0.868421
227 BGC BGC SGC MGL 0.432099 0.868421
228 NPJ 0.43038 0.622642
229 ACI G6D GLC ACI G6D BGC 0.428571 0.75
230 ACI GLD GLC ACI G6D BGC 0.428571 0.75
231 AC1 GLC AC1 BGC 0.428571 0.75
232 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.428571 0.75
233 DAF GLC DAF GLC GLC 0.428571 0.75
234 BGC GLC AC1 GLC GLC GLC AC1 0.428571 0.75
235 FUC BGC GAL NAG 0.426966 0.717391
236 OPM MAN MAN 0.425 0.804878
237 GLA MAN RAM RAM ABE MAN GLA 0.42 0.868421
238 NAG MAN GAL BMA NAG MAN NAG GAL 0.418367 0.673469
239 NAG MAN GAL BMA NDG MAN NAG GAL 0.418367 0.673469
240 MAN BMA NAG NAG MAN NAG GAL GAL 0.418367 0.673469
241 NAG MAN MAN MAN NAG GAL NAG GAL 0.418367 0.673469
242 10M 0.417722 0.733333
243 GTM BGC BGC 0.417722 0.868421
244 A2G GAL BGC FUC 0.417582 0.717391
245 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.416667 0.733333
246 SIA GAL NAG GAL GLC 0.415929 0.622642
247 BGC GAL NAG SIA GAL 0.415929 0.622642
248 SIA GAL NAG GAL BGC 0.415929 0.622642
249 CM5 0.414634 0.891892
250 DOM 0.411765 0.942857
251 GAL A2G 0.410959 0.733333
252 8VZ 0.410959 0.673469
253 GAL NGA 0.410959 0.733333
254 A2G GAL 0.410959 0.733333
255 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.410526 0.680851
256 MA4 0.409639 0.891892
257 FMO 0.408451 0.868421
258 NOJ GLC 0.408451 0.727273
259 TM6 0.407407 0.916667
260 BGC SGC BGC SGC BGC SGC BGC SGC 0.407407 0.916667
261 BMA NGT MAN MAN 0.406593 0.66
262 ACG 0.40625 0.695652
263 LSE 0.405063 0.6875
264 DAF BGC 0.404762 0.785714
265 DAF GLC 0.404762 0.785714
266 7SA 0.402062 0.702128
267 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.6875
268 5QP 0.4 0.885714
269 MAN MAN MAN BMA MAN MAN MAN 0.4 0.942857
270 FUC GAL GLA 0.4 0.970588
271 NAG MAN GAL MAN MAN NAG GAL 0.4 0.6875
272 FUC GLA GLA 0.4 0.970588
273 GAL GAL FUC 0.4 0.970588
274 GLA GAL FUC 0.4 0.970588
275 GLA GLA FUC 0.4 0.970588
276 NOY BGC 0.4 0.75
Ligand no: 2; Ligand: BGC BGC 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 : 5H9Y; Ligand: BGC BGC BGC BGC; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 5h9y.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WOE ADP 0.0004804 0.48393 1.8018
2 1WW5 SGA BGC 0.0124 0.41156 1.875
3 1PIG BGC 0.0003732 0.47543 2.02703
4 3JQ3 ADP 0.01118 0.40352 2.18579
5 4DSU BZI 0.002517 0.44884 2.25225
6 1ZNY GDP 0.001389 0.4577 2.41546
7 4YLZ LAT NAG GAL 0.001693 0.45594 2.61438
8 1Y7P RIP 0.01308 0.40868 2.69058
9 3E9I XAH 0.009952 0.41799 2.92793
10 3K4Z CBI 0.01728 0.40552 3.11419
11 3QRC SCR 0.0003392 0.4686 3.18471
12 5NCF 8T5 0.01722 0.40301 3.53982
13 4IAW LIZ 0.01111 0.40365 3.7234
14 3JU6 ANP 0.009552 0.41586 3.78378
15 5T7I LAT NAG GAL 0.0007014 0.47439 3.87097
16 5KJW 53C 0.009075 0.41363 3.98126
17 3CBC DBS 0.0004167 0.49571 4.0404
18 5TV6 PML 0.002455 0.43987 4.16667
19 4FUA PGH 0.01039 0.41402 4.18605
20 1QKQ MAN 0.00008403 0.49641 4.22535
21 3H0L ADP 0.002809 0.43703 4.25532
22 1M15 ADP 0.01212 0.4187 4.27928
23 1M15 ARG 0.01212 0.4187 4.27928
24 3MTX PGT 0.02923 0.402 4.63576
25 4K55 H6P 0.0002009 0.50161 4.83871
26 1EX7 5GP 0.01129 0.41222 4.83871
27 5D9G GLU ASN LEU TYR PHE GLN 0.009119 0.41215 4.87805
28 3SAO DBH 0.00004251 0.54682 5
29 2VDF OCT 0.000002911 0.627 5.13834
30 3ZO7 K6H 0.01262 0.40527 5.31915
31 2GQS C2R 0.003359 0.41925 5.48523
32 1OFL NGK GCD 0.01307 0.40438 5.63063
33 1J3R 6PG 0.0122 0.40172 5.78947
34 3OYW TDG 0.0087 0.41789 5.97015
35 1SLT NDG GAL 0.009813 0.40489 5.97015
36 1W6P NDG GAL 0.02345 0.40012 5.97015
37 5T8U LPA 0.005068 0.41539 6.11111
38 3WG3 A2G GAL NAG FUC 0.006205 0.42732 6.17978
39 4YVN EBS 0.01459 0.40888 6.30631
40 3A5Y KAA 0.008345 0.41599 6.37681
41 2GC0 PAN 0.003735 0.40333 6.38298
42 3HCH RSM 0.004627 0.42808 6.84932
43 1KGI T4A 0.005881 0.42159 7.08661
44 4L4J NAG NAG BMA MAN NAG 0.009595 0.4006 8.1448
45 4QPW XYP XYP XYP 0.00301 0.40538 8.4507
46 2G30 ALA ALA PHE 0.0000339 0.52055 8.52713
47 4FE2 AIR 0.00499 0.42016 8.62745
48 4V15 PLP 0.01042 0.40089 9.23483
49 2D6M LBT 0.002715 0.42197 9.43396
50 1GT4 UNA 0.003669 0.41008 9.43396
51 4RYV ZEA 0.005975 0.41645 9.67742
52 5HWV MBN 0.004941 0.43019 10
53 1LSH PLD 0.003219 0.44156 10.1351
54 5LRT ADP 0.0116 0.40921 10.1351
55 5DYO FLU 0.0007553 0.47591 11.0092
56 5F6U 5VK 0.002025 0.44913 12.1019
57 1G1T SIA GAL MAG FUC 0.0193 0.40483 12.1019
58 5FPE 3TR 0.004275 0.43064 12.3874
59 3WV6 GAL BGC 0.006391 0.40112 12.5
60 2RDE C2E 0.004898 0.40602 13.1474
61 2YKL NLD 0.001184 0.44455 13.2075
62 5H9Q TD2 0.000953 0.4579 13.5484
63 4QYN RTL 0.007552 0.41485 14.2857
Pocket No.: 2; Query (leader) PDB : 5H9Y; Ligand: BGC BGC BGC BGC BGC; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 5h9y.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IGQ THR M3L GLN 0.02215 0.40323 1.66667
2 2J5B TYE 0.008428 0.41319 2.01149
3 4L3L 5FI 0.02006 0.4188 2.30263
4 3OV6 MK0 0.0226 0.41725 2.51889
5 4FFG LBS 0.003118 0.4458 3.37838
6 4FFG 0U8 0.003784 0.42551 3.37838
7 3IES M24 0.02165 0.42278 3.81125
8 2W5P CL8 0.01374 0.40215 6.04027
9 3A16 PXO 0.01188 0.41726 6.16622
10 4YVN EBS 0.01301 0.40243 6.30631
11 3NZ1 3NY 0.01471 0.40288 9.96169
12 5F6U 5VK 0.0001883 0.50596 12.1019
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