Receptor
PDB id Resolution Class Description Source Keywords
1WO2 2.01 Å EC: 3.2.1.1 CRYSTAL STRUCTURE OF THE PIG PANCREATIC ALPHA-AMYLASE COMPLE MALTO-OLIGOSAACHARIDES UNDER THE EFFECT OF THE CHLORIDE ION SUS SCROFA BETA-ALPHA-BARRELS HYDROLASE
Ref.: MOLECULAR BASIS OF THE EFFECTS OF CHLORIDE ION ON T ACID-BASE CATALYST IN THE MECHANISM OF PANCREATIC ALPHA-AMYLASE BIOCHEMISTRY V. 44 3194 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:500;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:498;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:2000;
A:2001;
A:2002;
A:2003;
A:2004;
A:2005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
BGC GLC GLC B:1;
C:1;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1C...
BGC GLC D:1;
Valid;
none;
submit data
342.297 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PIG 2.2 Å EC: 3.2.1.1 PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE OLIGOSACCHAR SUS SCROFA ALPHA-AMYLASE ALPHA-1 4-GLUCAN-4-GLUCANOHYDROLASE GLYCOSYLTRANSFERASE GLYCOSYLTRANSFERASE
Ref.: CARBOHYDRATE AND PROTEIN-BASED INHIBITORS OF PORCIN PANCREATIC ALPHA-AMYLASE: STRUCTURE ANALYSIS AND CO OF THEIR BINDING CHARACTERISTICS. J.MOL.BIOL. V. 260 409 1996
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1OSE - BGC AC1 GLC AC1 n/a n/a
2 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
3 1HX0 - GLC AC1 GLC AC1 n/a n/a
4 1WO2 - BGC GLC GLC n/a n/a
5 1JFH Ki = 9 mM MA3 MA2 n/a n/a
6 3L2L - GLC GLC GLC GLC n/a n/a
7 1UA3 - GLC GLC GLC n/a n/a
8 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
9 1PPI Ki = 9.7 uM BGC GLC DAF GLC n/a n/a
10 1PIG ic50 = 0.7 nM BGC GLC AGL GLC HMC AGL n/a n/a
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3OLE Ki = 0.0147 uM GLC GLC G6D GLC ACI G6D ACI n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC G6D GLC ACI GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM BGC GLC G6D GLC HSD G6D HSD n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC GLC AGL HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - GLC GLC GLC GLC GLC GLC n/a n/a
17 3OLI Ki = 0.0416 uM GLC GLC G6D GLC HSD G6D HSD n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - BGC GLC AC1 n/a n/a
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - GLC AC1 n/a n/a
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - GLC AGL HMC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC AC1 GLC AC1 n/a n/a
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - BGC GLC GLC n/a n/a
34 1JFH Ki = 9 mM MA3 MA2 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - GLC GLC GLC n/a n/a
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM BGC GLC DAF GLC n/a n/a
39 1PIG ic50 = 0.7 nM BGC GLC AGL GLC HMC AGL n/a n/a
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3OLE Ki = 0.0147 uM GLC GLC G6D GLC ACI G6D ACI n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC G6D GLC ACI GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM BGC GLC G6D GLC HSD G6D HSD n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC GLC AGL HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - GLC GLC GLC GLC GLC GLC n/a n/a
17 3OLI Ki = 0.0416 uM GLC GLC G6D GLC HSD G6D HSD n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - BGC GLC AC1 n/a n/a
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - GLC AC1 n/a n/a
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - GLC AGL HMC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC AC1 GLC AC1 n/a n/a
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - BGC GLC GLC n/a n/a
34 1JFH Ki = 9 mM MA3 MA2 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - GLC GLC GLC n/a n/a
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM BGC GLC DAF GLC n/a n/a
39 1PIG ic50 = 0.7 nM BGC GLC AGL GLC HMC AGL n/a n/a
40 1G94 - GLC GLC GLC DAF DAF n/a n/a
41 1KXH - GLC GLC AC1 n/a n/a
42 1G9H - BGC DAF n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GLC GLC; Similar ligands found: 347
No: Ligand ECFP6 Tc MDL keys Tc
1 CT3 1 1
2 DXI 1 1
3 BGC BGC BGC GLC 1 1
4 CE8 1 1
5 MLR 1 1
6 GLC BGC BGC 1 1
7 BGC BGC BGC 1 1
8 CEY 1 1
9 BGC BGC BGC BGC 1 1
10 BMA BMA BMA BMA BMA 1 1
11 MAN BMA BMA BMA BMA BMA 1 1
12 MAN BMA BMA 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GLA GAL BGC 1 1
15 BMA BMA BMA BMA BMA BMA 1 1
16 CTT 1 1
17 BGC GLC GLC 1 1
18 MAN BMA BMA BMA BMA 1 1
19 GLC BGC BGC BGC 1 1
20 BGC GLC GLC GLC GLC 1 1
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
22 GLC GAL GAL 1 1
23 CE5 1 1
24 MAN MAN BMA BMA BMA BMA 1 1
25 CTR 1 1
26 BGC GLC GLC GLC GLC GLC GLC 1 1
27 MT7 1 1
28 MTT 1 1
29 GLC BGC GLC 1 1
30 GAL GAL GAL 1 1
31 GLC BGC BGC BGC BGC 1 1
32 BMA MAN BMA 1 1
33 BMA BMA BMA 1 1
34 BGC BGC GLC 1 1
35 GLC GLC GLC GLC GLC 1 1
36 GLC BGC BGC BGC BGC BGC 1 1
37 BGC GLC GLC GLC 1 1
38 GLA GAL GLC 1 1
39 B4G 1 1
40 CEX 1 1
41 CE6 1 1
42 MAB 0.909091 1
43 CBK 0.909091 1
44 MAL 0.909091 1
45 BMA GAL 0.909091 1
46 BGC GAL 0.909091 1
47 LBT 0.909091 1
48 N9S 0.909091 1
49 BGC BMA 0.909091 1
50 GLC GAL 0.909091 1
51 GAL BGC 0.909091 1
52 LAT 0.909091 1
53 CBI 0.909091 1
54 BMA BMA 0.909091 1
55 B2G 0.909091 1
56 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
57 LAT GLA 0.765957 1
58 BMA BMA BMA GLA BMA 0.758621 1
59 BMA BMA GLA BMA BMA 0.758621 1
60 GLA GAL GAL 0.754717 1
61 GLC GLC GLC BGC 0.741379 1
62 BMA BMA BMA BMA 0.672414 0.941176
63 MMA MAN 0.653846 0.942857
64 DR5 0.653846 0.942857
65 NGA GAL BGC 0.650794 0.733333
66 GLA EGA 0.648148 0.942857
67 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
68 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
69 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
70 XYT 0.637931 0.767442
71 ABD 0.637681 0.75
72 BMA BMA MAN GLA GLA 0.633333 1
73 GAL NGA GLA BGC GAL 0.628571 0.733333
74 GLC GLC XYP 0.622951 1
75 GLA GAL BGC 5VQ 0.62069 0.891892
76 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
77 BGC BGC XYS BGC 0.61194 0.942857
78 MAL EDO 0.607143 0.942857
79 U63 0.6 0.891892
80 BGC BGC BGC XYS GAL 0.6 0.942857
81 NGA GLA GAL BGC 0.591549 0.733333
82 GLA GAL GLC NBU 0.590164 0.846154
83 NGR 0.584906 1
84 MAN GLC 0.584906 1
85 GLA GLA 0.584906 1
86 GLC GLC 0.584906 1
87 LB2 0.584906 1
88 GLA GAL 0.584906 1
89 M3M 0.584906 1
90 GLC BGC 0.584906 1
91 BGC BGC BGC FRU 0.580645 0.868421
92 GLC GAL NAG GAL 0.577465 0.733333
93 LAT NAG GAL 0.577465 0.733333
94 BGC GLA GAL FUC 0.573529 0.970588
95 OXZ BGC BGC 0.571429 0.6875
96 G3I 0.571429 0.767442
97 8B7 0.571429 0.970588
98 GAL FUC 0.571429 0.941176
99 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.733333
100 G2I 0.571429 0.767442
101 BGC GAL NAG GAL 0.571429 0.733333
102 FUC GAL GLC 0.571429 0.970588
103 GLC GAL FUC 0.571429 0.970588
104 LAT FUC 0.571429 0.970588
105 FUC GAL GLC BGC 0.571429 0.970588
106 BGC GAL FUC 0.571429 0.970588
107 GAL NAG GAL GLC 0.571429 0.733333
108 BGC GLC 0.566038 1
109 BMA MAN 0.566038 1
110 2M4 0.566038 1
111 BQZ 0.56 0.909091
112 GLC GLC XYS 0.553846 0.970588
113 GLO GLC GLC GLC 0.545455 0.970588
114 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
115 LAG 0.545455 0.6
116 SOR GLC GLC GLC 0.545455 0.970588
117 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
118 GLC GLC ACI G6D GLC GLC 0.54321 0.702128
119 GLC GLC DAF BGC 0.54321 0.702128
120 AAO 0.54321 0.733333
121 ACR GLC GLC GLC 0.54321 0.702128
122 ARE 0.54321 0.733333
123 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.54321 0.942857
124 GLC GLC AGL HMC GLC 0.54321 0.702128
125 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 XYS BGC BGC XYS BGC XYS BGC 0.541667 0.942857
128 XYS BGC BGC XYS BGC BGC XYS 0.541667 0.942857
129 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
130 5GO 0.540984 0.66
131 NLC 0.540984 0.733333
132 GAL NDG 0.540984 0.733333
133 GAL BGC BGC XYS 0.536232 0.942857
134 GLC GLC BGC 0.534483 1
135 GLC GLC GLC 0.534483 1
136 DEL 0.534483 0.970588
137 GLC GLC GLC GLC 0.534483 1
138 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
139 BGC BGC BGC GLC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC BGC 0.534483 1
141 MVP 0.533333 0.733333
142 SGA BGC 0.532258 0.66
143 TRE 0.531915 1
144 BGC BGC 0.526316 0.914286
145 LMU 0.523077 0.785714
146 LMT 0.523077 0.785714
147 DMU 0.523077 0.785714
148 UMQ 0.523077 0.785714
149 NAG GAL BGC 0.521127 0.733333
150 GLC G6D ADH GLC 0.519481 0.733333
151 GLC G6D ACI GLC 0.519481 0.733333
152 GLC ACI GLD GLC 0.519481 0.733333
153 GLC ACI G6D BGC 0.519481 0.733333
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
155 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
156 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.518519 0.942857
157 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
159 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.518519 0.942857
160 GAL XYS XYS BGC BGC XYS BGC BGC 0.518519 0.942857
161 XYS GAL GLC BGC BGC XYS BGC XYS 0.518519 0.942857
162 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
163 BMA MAN MAN MAN 0.516129 1
164 FUC BGC GAL 0.515625 0.970588
165 FUC GLC BGC GAL 0.515625 0.970588
166 SOR GLC GLC 0.515152 0.970588
167 RCB 0.514286 0.622642
168 GAL BGC NAG GAL 0.513889 0.733333
169 GLA MBG 0.509091 0.942857
170 DAF BGC GLC 0.506667 0.733333
171 ACI GLD GLC GAL 0.506667 0.733333
172 DAF GLC GLC 0.506667 0.733333
173 6UZ 0.5 0.846154
174 TXT 0.5 0.767442
175 MAN MAN BMA 0.5 1
176 GAC 0.5 0.767442
177 BMA BMA MAN 0.5 1
178 GAL BGC NAG NAG GAL GAL 0.493976 0.6875
179 GLC ACI G6D GLC 0.493827 0.702128
180 GLC ACI GLD GAL 0.493827 0.702128
181 QV4 0.493827 0.733333
182 BGC BGC BGC BGC BGC BGC BGC 0.491803 1
183 BGC BGC BGC BGC BGC 0.491803 1
184 GLC GLC GLC PO4 SGC GLC 0.487805 0.66
185 NPJ 0.485714 0.622642
186 MAN BMA MAN 0.484375 1
187 MAN MAN MAN 0.484375 1
188 ACR 0.481013 0.733333
189 QPS 0.481013 0.733333
190 4MU BGC BGC BGC BGC 0.480519 0.767442
191 GAL NAG MAN 0.478873 0.733333
192 BGC BGC XYS BGC XYS XYS GAL 0.47561 0.942857
193 DOM 0.474576 0.942857
194 GLO GLC GLC 0.472222 0.942857
195 10M 0.471429 0.733333
196 GLA GAL NAG 0.471429 0.733333
197 MAN BMA NAG 0.471429 0.733333
198 GAL GAL SO4 0.469697 0.66
199 8VZ 0.46875 0.673469
200 FMO 0.467742 0.868421
201 4MU BGC BGC 0.467532 0.767442
202 BGC BGC SGC MGL 0.465753 0.868421
203 MGL SGC GLC GLC 0.465753 0.868421
204 MGL SGC BGC BGC 0.465753 0.868421
205 CM5 0.465753 0.891892
206 ACR GLC GLC GLC GLC 0.4625 0.702128
207 ACR GLC 0.4625 0.702128
208 BGC BGC XYS XYS GAL 0.4625 0.942857
209 NAG GAL GAL NAG GAL 0.460526 0.6875
210 CGC 0.460317 0.941176
211 MA4 0.459459 0.891892
212 5QP 0.459016 0.885714
213 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.702128
214 ACI G6D GLC ACI G6D BGC 0.457831 0.702128
215 DAF GLC DAF GLC GLC 0.457831 0.702128
216 ACI GLD GLC ACI G6D BGC 0.457831 0.702128
217 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.702128
218 AC1 GLC AC1 BGC 0.457831 0.702128
219 MDM 0.457627 0.942857
220 M13 0.457627 0.942857
221 MAN MMA 0.457627 0.942857
222 GAL MBG 0.457627 0.942857
223 RZM 0.457627 0.688889
224 LSE 0.457143 0.6875
225 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
226 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.653061
227 GTM BGC BGC 0.450704 0.868421
228 MAN MAN BMA MAN 0.449275 1
229 MAN MAN MAN MAN 0.449275 1
230 ACG 0.448276 0.695652
231 NAG BMA 0.447761 0.653061
232 GAL GLC NAG GAL FUC 0.447059 0.717391
233 FUC GAL NAG GAL BGC 0.447059 0.717391
234 GLC NAG GAL GAL FUC 0.447059 0.717391
235 GAL A2G 0.446154 0.733333
236 GAL NAG 0.446154 0.733333
237 GAL NGA 0.446154 0.733333
238 NAG GAL 0.446154 0.733333
239 BMA MAN MAN MAN MAN 0.444444 1
240 M5S 0.442857 1
241 MAN BMA MAN MAN MAN 0.442857 1
242 NAG GAL GAL NAG 0.441558 0.6875
243 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
244 MAN MAN MAN GLC 0.441176 1
245 GAL GAL 0.440678 1
246 GAL GLC 0.440678 1
247 LAK 0.440678 1
248 MAN BMA 0.440678 1
249 MLB 0.440678 1
250 MAN MAN 0.440678 1
251 GLA GLC 0.440678 1
252 BMA GLA 0.440678 1
253 BGC GLA 0.440678 1
254 GLA BGC 0.440678 1
255 GLA BMA 0.440678 1
256 DAF GLC 0.44 0.733333
257 DAF BGC 0.44 0.733333
258 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
259 TM6 0.438356 0.916667
260 ABL 0.4375 0.702128
261 FRU GAL 0.435484 0.842105
262 BMA FRU 0.435484 0.842105
263 W9T 0.435484 0.842105
264 FUC GLA GLA 0.432836 0.970588
265 FUC GAL GLA 0.432836 0.970588
266 GAL GAL FUC 0.432836 0.970588
267 GLA GAL FUC 0.432836 0.970588
268 GLA GLA FUC 0.432836 0.970588
269 GLF B8D 0.428571 0.775
270 BGC OXZ 0.428571 0.666667
271 IFM BGC 0.428571 0.711111
272 VAM 0.428571 0.868421
273 IFM BMA 0.428571 0.711111
274 A2G GAL GLC FUC 0.428571 0.717391
275 ISX 0.428571 0.761905
276 BMA IFM 0.428571 0.711111
277 9MR 0.428571 0.744186
278 A2G GAL BGC FUC 0.428571 0.717391
279 7SA 0.426966 0.702128
280 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
281 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
282 MAN MAN MAN BMA MAN 0.426667 1
283 A2G GAL 0.426471 0.653061
284 GLC GLC GLC GLC BGC 0.42623 1
285 BMA MAN MAN 0.42623 1
286 GLC GLC GLC GLC GLC BGC 0.42623 1
287 GLC DMJ 0.421875 0.695652
288 NOJ GLC 0.421875 0.695652
289 MAN MNM 0.421875 0.702128
290 NOY BGC 0.421875 0.702128
291 PA1 GCS 0.419355 0.767442
292 GCS GCS 0.419355 0.767442
293 3SA 0.417722 0.733333
294 HMC AGL GLC 0.417722 0.717391
295 GAL 0.416667 0.848485
296 ALL 0.416667 0.848485
297 GXL 0.416667 0.848485
298 MAN 0.416667 0.848485
299 GIV 0.416667 0.848485
300 GLA 0.416667 0.848485
301 GLC 0.416667 0.848485
302 BGC 0.416667 0.848485
303 6SA 0.416667 0.733333
304 WOO 0.416667 0.848485
305 BMA 0.416667 0.848485
306 XZZ BGC BGC 0.416667 0.702128
307 BGC GLC AC1 GLC AC1 0.41573 0.702128
308 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.673469
309 3SA 3SA 0.41573 0.702128
310 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.673469
311 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.673469
312 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.673469
313 GAL NAG GAL 0.415584 0.702128
314 GCS GCS GCS GCS GCS 0.415385 0.767442
315 GCS GCS GCS 0.415385 0.767442
316 GCS GCS GCS GCS GCS GCS GCS GCS 0.415385 0.804878
317 GCS GCS GCS GCS GCS GCS 0.415385 0.767442
318 P3M 0.414286 0.767442
319 MAN DGO 0.412698 0.914286
320 AGL GLC HMC AGL GLC BGC 0.411111 0.653061
321 NAG NAG BMA 0.410256 0.634615
322 NAG NDG BMA 0.410256 0.634615
323 T6P 0.409836 0.767442
324 MAN G63 0.409091 0.653061
325 GDQ GLC 0.409091 0.666667
326 FUC BGC GAL NAG GAL 0.409091 0.717391
327 MMA 0.403846 0.857143
328 AMG 0.403846 0.857143
329 GYP 0.403846 0.857143
330 MBG 0.403846 0.857143
331 MAN 7D1 0.403226 0.888889
332 GAL MGC 0.402985 0.702128
333 BGC BGC XYS BGC XYS GAL 0.4 0.916667
334 A2G GAL NAG FUC GAL GLC 0.4 0.673469
335 MAN MAN MAN MAN MAN MAN MAN 0.4 1
336 RIB 0.4 0.742857
337 FUB 0.4 0.742857
338 GLC GAL NAG GAL FUC A2G 0.4 0.673469
339 FUC NDG GAL 0.4 0.717391
340 A2G MBG 0.4 0.702128
341 MBG A2G 0.4 0.702128
342 Z6J 0.4 0.742857
343 FUC NAG GAL 0.4 0.717391
344 AHR 0.4 0.742857
345 BDR 0.4 0.742857
346 32O 0.4 0.742857
347 GAL NDG FUC 0.4 0.717391
Ligand no: 2; Ligand: BGC GLC; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLC 1 1
2 2M4 1 1
3 BMA MAN 1 1
4 BMA BMA MAN 0.808511 1
5 MAN MAN BMA 0.808511 1
6 BGC BGC BGC BGC BGC BGC BGC 0.791667 1
7 BGC BGC BGC BGC BGC 0.791667 1
8 MAN MAN MAN GLC 0.690909 1
9 FUC GAL 0.66 0.941176
10 BQZ 0.622222 0.909091
11 GAL NAG MAN 0.612903 0.733333
12 LB2 0.612245 1
13 BMA BMA 0.612245 1
14 MAN GLC 0.612245 1
15 B2G 0.612245 1
16 BMA GAL 0.612245 1
17 GLA GAL 0.612245 1
18 BGC BMA 0.612245 1
19 MAL 0.612245 1
20 MAB 0.612245 1
21 GLC BGC 0.612245 1
22 GLC GLC 0.612245 1
23 GAL BGC 0.612245 1
24 M3M 0.612245 1
25 GLC GAL 0.612245 1
26 NGR 0.612245 1
27 LAT 0.612245 1
28 CBK 0.612245 1
29 GLA GLA 0.612245 1
30 LBT 0.612245 1
31 N9S 0.612245 1
32 BGC GAL 0.612245 1
33 CBI 0.612245 1
34 TRE 0.595238 1
35 GLA MBG 0.591837 0.942857
36 GLC GLC BGC 0.584906 1
37 GLC GLC GLC 0.584906 1
38 BGC BGC BGC GLC BGC BGC 0.584906 1
39 BGC BGC BGC BGC BGC BGC 0.584906 1
40 GLC GLC GLC GLC 0.584906 1
41 GLC BGC BGC BGC BGC BGC BGC 0.584906 1
42 BGC GLC GLC GLC GLC 0.566038 1
43 MAN BMA BMA BMA BMA 0.566038 1
44 BGC GLC GLC 0.566038 1
45 GLC GAL GAL 0.566038 1
46 CTT 0.566038 1
47 DXI 0.566038 1
48 BMA MAN BMA 0.566038 1
49 MT7 0.566038 1
50 BGC GLC GLC GLC GLC GLC GLC 0.566038 1
51 CT3 0.566038 1
52 BMA BMA BMA BMA BMA 0.566038 1
53 BGC BGC BGC BGC 0.566038 1
54 BMA BMA BMA BMA BMA BMA 0.566038 1
55 GLC BGC BGC BGC BGC BGC 0.566038 1
56 BGC BGC BGC 0.566038 1
57 CE6 0.566038 1
58 GLC BGC BGC BGC BGC 0.566038 1
59 GLA GAL BGC 0.566038 1
60 CE8 0.566038 1
61 BMA BMA BMA 0.566038 1
62 GLA GAL GLC 0.566038 1
63 CEX 0.566038 1
64 MLR 0.566038 1
65 CE5 0.566038 1
66 MAN MAN BMA BMA BMA BMA 0.566038 1
67 GAL GAL GAL 0.566038 1
68 B4G 0.566038 1
69 CTR 0.566038 1
70 MTT 0.566038 1
71 GLC GLC GLC GLC GLC 0.566038 1
72 CEY 0.566038 1
73 BGC BGC BGC GLC 0.566038 1
74 BGC BGC GLC 0.566038 1
75 GLC BGC BGC BGC 0.566038 1
76 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
77 BGC GLC GLC GLC 0.566038 1
78 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.566038 1
79 MAN BMA BMA BMA BMA BMA 0.566038 1
80 MAN BMA BMA 0.566038 1
81 GLC BGC GLC 0.566038 1
82 GLC BGC BGC 0.566038 1
83 BMA MAN MAN MAN 0.561404 1
84 LAT GLA 0.56 1
85 GLA GAL GAL 0.54386 1
86 GLA GLA FUC 0.542373 0.970588
87 GLA GAL FUC 0.542373 0.970588
88 GAL GAL FUC 0.542373 0.970588
89 FUC GLA GLA 0.542373 0.970588
90 FUC GAL GLA 0.542373 0.970588
91 GAL FUC 0.537037 0.941176
92 U63 0.537037 0.891892
93 MAN MMA 0.528302 0.942857
94 MDM 0.528302 0.942857
95 MMA MAN 0.528302 0.942857
96 M13 0.528302 0.942857
97 DR5 0.528302 0.942857
98 RZM 0.528302 0.688889
99 GAL MBG 0.528302 0.942857
100 GLA EGA 0.527273 0.942857
101 DOM 0.518519 0.942857
102 BGC BGC 0.518519 0.914286
103 FMO 0.508772 0.868421
104 GAL A2G 0.508475 0.733333
105 NAG GAL 0.508475 0.733333
106 GAL NAG 0.508475 0.733333
107 GAL NGA 0.508475 0.733333
108 BGC BGC BGC BGC BGC BGC BGC BGC 0.508197 1
109 BMA BMA MAN GLA GLA 0.5 1
110 MAL EDO 0.491228 0.942857
111 GLA MAN ABE 0.484848 0.916667
112 GAL NDG 0.483333 0.733333
113 NLC 0.483333 0.733333
114 NOJ GLC 0.482759 0.695652
115 MMA 0.478261 0.857143
116 MBG 0.478261 0.857143
117 AMG 0.478261 0.857143
118 GYP 0.478261 0.857143
119 MAN MAN MAN 0.47541 1
120 MAN BMA MAN 0.47541 1
121 ABL 0.474576 0.702128
122 CGC 0.474576 0.941176
123 MVP 0.474576 0.733333
124 W9T 0.473684 0.842105
125 FRU GAL 0.473684 0.842105
126 BMA FRU 0.473684 0.842105
127 5QP 0.473684 0.885714
128 T6P 0.472727 0.767442
129 GDQ GLC 0.466667 0.666667
130 9MR 0.465517 0.744186
131 IFM BMA 0.465517 0.711111
132 BMA IFM 0.465517 0.711111
133 BGC OXZ 0.465517 0.666667
134 IFM BGC 0.465517 0.711111
135 FUC GLC BGC GAL 0.460317 0.970588
136 G2F BGC BGC BGC BGC BGC 0.460317 0.868421
137 A2G GAL 0.460317 0.653061
138 FUC BGC GAL 0.460317 0.970588
139 GAL GAL SO4 0.460317 0.66
140 GLA GAL BGC 5VQ 0.459016 0.891892
141 MAN MNM 0.457627 0.702128
142 GLC DMJ 0.457627 0.695652
143 NOY BGC 0.457627 0.702128
144 BMA MAN MAN MAN MAN 0.455882 1
145 XYT 0.451613 0.767442
146 MAN DGO 0.448276 0.914286
147 BMA BMA BMA GLA BMA 0.447761 1
148 BMA BMA GLA BMA BMA 0.447761 1
149 2GS 0.446809 0.857143
150 P3M 0.446154 0.767442
151 GLC GLC XYP 0.446154 1
152 GAL BGC BGC XYS 0.442857 0.942857
153 MAN G63 0.442623 0.653061
154 GLA GAL NAG 0.441176 0.733333
155 MAN BMA NAG 0.441176 0.733333
156 SOR GLC GLC 0.439394 0.970588
157 MAN MAN MAN MAN 0.439394 1
158 MAN MAN BMA MAN 0.439394 1
159 MAN 7D1 0.438596 0.888889
160 GLA GAL GLC NBU 0.4375 0.846154
161 NAG BMA 0.4375 0.653061
162 MAN MAN MAN BMA MAN 0.43662 1
163 GAL MGC 0.435484 0.702128
164 8VZ 0.435484 0.673469
165 GLC GLC GLC BGC 0.432836 1
166 M5S 0.432836 1
167 MAN BMA MAN MAN MAN 0.432836 1
168 GAL 0.431818 0.848485
169 GXL 0.431818 0.848485
170 GIV 0.431818 0.848485
171 BMA 0.431818 0.848485
172 WOO 0.431818 0.848485
173 MAN 0.431818 0.848485
174 ALL 0.431818 0.848485
175 GLC 0.431818 0.848485
176 BGC 0.431818 0.848485
177 GLA 0.431818 0.848485
178 BGC BGC BGC FRU 0.430769 0.868421
179 GLA BMA 0.428571 1
180 MLB 0.428571 1
181 BGC GLA 0.428571 1
182 GAL GLC 0.428571 1
183 MAN MAN 0.428571 1
184 GLA BGC 0.428571 1
185 LAK 0.428571 1
186 KHO 0.428571 0.888889
187 MAN BMA 0.428571 1
188 GAL GAL 0.428571 1
189 BMA GLA 0.428571 1
190 GLA GLC 0.428571 1
191 GLO GLC GLC GLC 0.426471 0.970588
192 LAG 0.426471 0.6
193 SOR GLC GLC GLC 0.426471 0.970588
194 GAL BGC NAG GAL 0.424658 0.733333
195 FUC GAL GLC BGC 0.424242 0.970588
196 G3I 0.424242 0.767442
197 UMQ 0.424242 0.785714
198 GLC GAL FUC 0.424242 0.970588
199 BGC GAL FUC 0.424242 0.970588
200 DMU 0.424242 0.785714
201 LMU 0.424242 0.785714
202 FUC GAL GLC 0.424242 0.970588
203 LAT FUC 0.424242 0.970588
204 LMT 0.424242 0.785714
205 G2I 0.424242 0.767442
206 OXZ BGC BGC 0.424242 0.6875
207 8B7 0.424242 0.970588
208 TUR 0.423729 0.842105
209 BTU 0.423729 0.842105
210 GLC FRU 0.423729 0.842105
211 GAL NAG GAL GLC 0.418919 0.733333
212 BGC GAL NAG GAL 0.418919 0.733333
213 BGC GLA GAL FUC 0.416667 0.970588
214 ISX 0.416667 0.761905
215 MAN MMA MAN 0.415385 0.942857
216 NPJ 0.414286 0.622642
217 BMA MAN MAN 0.413793 1
218 GLC GLC GLC GLC GLC BGC 0.413793 1
219 GLC GLC GLC GLC BGC 0.413793 1
220 NAG GAL GAL NAG GAL 0.413333 0.6875
221 G1P 0.411765 0.697674
222 GL1 0.411765 0.697674
223 XGP 0.411765 0.697674
224 ALX 0.411765 0.697674
225 M1P 0.411765 0.697674
226 BNX 0.411765 0.697674
227 GLC GLC XYS 0.411765 0.970588
228 56N 0.410714 0.833333
229 MAN IFM 0.409836 0.727273
230 GLC IFM 0.409836 0.727273
231 FUC NAG GAL 0.408451 0.717391
232 OPM MAN MAN 0.408451 0.804878
233 GAL NDG FUC 0.408451 0.717391
234 FUC NDG GAL 0.408451 0.717391
235 LAT NAG GAL 0.407895 0.733333
236 GLC GAL NAG GAL 0.407895 0.733333
237 MAN MAN MAN MAN MAN MAN MAN 0.407895 1
238 6UZ 0.405797 0.846154
239 LSE 0.405797 0.6875
240 GLC 7LQ 0.403226 0.885714
241 IDC 0.402985 0.6
242 MVL BMA 0.402985 0.6
243 GAL NGT 0.402985 0.66
244 NGT GAL 0.402985 0.66
245 BMA MVL 0.402985 0.6
246 GLO GLC GLC 0.402778 0.942857
247 RCB 0.402778 0.622642
248 GTM BGC BGC 0.4 0.868421
249 10M 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PIG; Ligand: BGC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1pig.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PIG; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1pig.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PIG; Ligand: AGL GLC HMC AGL GLC BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pig.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1PIG; Ligand: BGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1pig.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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