Receptor
PDB id Resolution Class Description Source Keywords
6CEL 1.7 Å EC: 3.2.1.91 CBH1 (E212Q) CELLOPENTAOSE COMPLEX HYPOCREA JECORINA HYDROLASE CELLULOSE DEGRADATION GLYCOSIDASE GLYCOPROTEINGLYCOSYLATED PROTEIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES REVEAL HOW A CEL CHAIN IS BOUND IN THE 50 A LONG TUNNEL OF CELLOBIOH I FROM TRICHODERMA REESEI. J.MOL.BIOL. V. 275 309 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC BGC A:450;
Valid;
none;
submit data
666.579 n/a O(C1O...
BGC BGC BGC BGC BGC A:455;
Valid;
none;
submit data
828.72 n/a O(C1O...
CO A:1000;
A:461;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
NAG A:435;
A:436;
Part of Protein;
Part of Protein;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DY4 1.9 Å EC: 3.2.1.91 CBH1 IN COMPLEX WITH S-PROPRANOLOL TRICHODERMA REESEI HYDROLASE(O-GLYCOSYL) HYDROLASE CELLULOSE DEAGRADATION CHSEPARATION GLYCOSIDASE GLYCOPROTEIN
Ref.: STRUCTURAL BASIS FOR ENANTIOMER BINDING AND SEPARAT COMMON BETA-BLOCKER: CRYSTAL STRUCTURE OF CELLOBIOH CEL7A WITH BOUND (S)-PROPRANOLOL AT 1.9 A RESOLUTIO J.MOL.BIOL. V. 305 79 2001
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1DY4 Ki = 44 uM SNP C16 H21 N O2 CC(C)NC[C@....
2 5CEL - BGC BGC BGC BGC n/a n/a
3 4D5J - XYP XYP XYP n/a n/a
4 4D5Q - XYP XYP n/a n/a
5 4D5V - XYP XLS n/a n/a
6 4D5I - XYP XYP XYP n/a n/a
7 4D5O - XYP XYP XYP XYP n/a n/a
8 4C4D - BGC BGC n/a n/a
9 3CEL - BGC BGC n/a n/a
10 4D5P - XYP XYP XYP XYP n/a n/a
11 6CEL - BGC BGC BGC BGC BGC n/a n/a
12 4C4C - BGC BGC BGC BGC BGC BGC BGC BGC BGC n/a n/a
13 7CEL - BGC BGC BGC BGC BGC BGC n/a n/a
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4D5V - XYP XLS n/a n/a
2 4D5I - XYP XYP XYP n/a n/a
3 4D5O - XYP XYP XYP XYP n/a n/a
4 4C4D - BGC BGC n/a n/a
5 3CEL - BGC BGC n/a n/a
6 4D5P - XYP XYP XYP XYP n/a n/a
7 6CEL - BGC BGC BGC BGC BGC n/a n/a
8 4C4C - BGC BGC BGC BGC BGC BGC BGC BGC BGC n/a n/a
9 7CEL - BGC BGC BGC BGC BGC BGC n/a n/a
10 4ZZU - SGC BGC n/a n/a
11 4ZZT - SGC SGC BGC n/a n/a
12 4ZZW Ki = 50 uM CBI C12 H22 O11 C([C@@H]1[....
13 1Z3V Kd = 77 uM LAT C12 H22 O11 C([C@@H]1[....
14 1H46 Kd = 270 uM RNP C16 H19 N O2 CC(C)N=C[C....
15 1Z3T Kd = 115 uM CBI C12 H22 O11 C([C@@H]1[....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1DY4 Ki = 44 uM SNP C16 H21 N O2 CC(C)NC[C@....
2 5CEL - BGC BGC BGC BGC n/a n/a
3 4D5J - XYP XYP XYP n/a n/a
4 4D5Q - XYP XYP n/a n/a
5 4D5V - XYP XLS n/a n/a
6 4D5I - XYP XYP XYP n/a n/a
7 4D5O - XYP XYP XYP XYP n/a n/a
8 4C4D - BGC BGC n/a n/a
9 3CEL - BGC BGC n/a n/a
10 4D5P - XYP XYP XYP XYP n/a n/a
11 6CEL - BGC BGC BGC BGC BGC n/a n/a
12 4C4C - BGC BGC BGC BGC BGC BGC BGC BGC BGC n/a n/a
13 7CEL - BGC BGC BGC BGC BGC BGC n/a n/a
14 4ZZU - SGC BGC n/a n/a
15 4ZZT - SGC SGC BGC n/a n/a
16 4ZZW Ki = 50 uM CBI C12 H22 O11 C([C@@H]1[....
17 4V20 - U63 C12 H21 F O10 C([C@@H]1[....
18 1Z3W - IDC C14 H22 N2 O9 c1cn2c(n1)....
19 1Z3V Kd = 77 uM LAT C12 H22 O11 C([C@@H]1[....
20 1H46 Kd = 270 uM RNP C16 H19 N O2 CC(C)N=C[C....
21 1Z3T Kd = 115 uM CBI C12 H22 O11 C([C@@H]1[....
22 4IPM - TCB C12 H22 O10 S C([C@@H]1[....
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 : 1DY4; Ligand: SNP; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 1dy4.bio1) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.03788 0.40479 None
2 5SWI BMA 0.01417 0.4232 1.38249
3 2UXR ICT 0.04682 0.42231 1.99005
4 5A61 3PO 0.03564 0.41813 2.07373
5 3OBT SLB 0.04957 0.41738 2.07373
6 3B00 16A 0.00246 0.48469 2.20588
7 5L9B AKG 0.04554 0.41923 2.77778
8 4U0W 16G 0.009213 0.43838 2.84553
9 2ZHL NAG GAL GAL NAG 0.007714 0.45358 3.37838
10 3FW3 GLC 0.00214 0.48313 3.38346
11 4JLZ UTP 0.0223 0.42195 3.55191
12 3WDX BGC BGC GLC 0.002145 0.46224 3.69128
13 3WDX BGC BGC BGC 0.009709 0.43393 3.69128
14 3OYW TDG 0.03803 0.42754 3.73134
15 1UR4 B2G 0.03265 0.40031 3.7594
16 3T50 FMN 0.02159 0.41688 3.90625
17 3WG3 A2G GAL NAG FUC 0.02582 0.43681 3.93258
18 5C79 PBU 0.04732 0.42197 4
19 4H6B 10X 0.0361 0.41782 4.10256
20 4WVW SLT 0.04718 0.41793 4.16667
21 5E89 TD2 0.013 0.43425 4.31655
22 4MPO AMP 0.04177 0.41129 4.57516
23 3QRC SCR 0.01124 0.42248 5.09554
24 3RGA LSB 0.006277 0.45037 5.30035
25 2GC0 PAN 0.02168 0.41977 5.31915
26 4FFG 0U8 0.04902 0.40216 5.52995
27 5C3R AKG 0.03844 0.40722 6.12245
28 5C3R HMU 0.03844 0.40722 6.12245
29 1SDW IYT 0.02255 0.42878 6.6879
30 1N5S ADL 0.0134 0.43358 8.03571
31 1EPB REA 0.04662 0.40576 8.53659
32 4FE2 ASP 0.01044 0.44244 12.549
33 1UPR 4IP 0.01292 0.44921 14.6341
34 3MYZ TFX 0.0282 0.44045 15
35 5T7I LAT NAG GAL 0.01979 0.44351 16.129
36 2CBT TH2 0.02935 0.43401 16.9643
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