Receptor
PDB id Resolution Class Description Source Keywords
3L2M 1.97 Å EC: 3.2.1.1 X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PIG PANCREATIC ALPHA-AMYL ALPHA-CYCLODEXTRIN SUS SCROFA CATALYTIC DOMAIN CARBOHYDRATE BINDING MODULE ALPHA-CYCLODECARBOHYDRATE METABOLISM GLYCOPROTEIN GLYCOSIDASE METAL-BPYRROLIDONE CARBOXYLIC ACID SECRETED HYDROLASE
Ref.: X-RAY CRYSTALLOGRAPHIC ANALYSES OF PIG PANCREATIC ALPHA-AMYLASE WITH LIMIT DEXTRIN, OLIGOSACCHARIDE, ALPHA-CYCLODEXTRIN. BIOCHEMISTRY V. 49 3101 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:502;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLC GLC GLC GLC GLC GLC A:601;
A:706;
A:803;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
990.861 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 OLIGOSACCHARIDE V-1532 SUS SCROFA ALPHA-AMYLASE ALPHA-1 4-GLUCAN-4-GLUCANOHYDROLASE GLYCOSYLTRANSFERASE
Ref.: CARBOHYDRATE AND PROTEIN-BASED INHIBITORS OF PORCINE PANCREATIC ALPHA-AMYLASE: STRUCTURE ANALYSIS AND COMPARISON 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 C6 H12 O6 C([C@@H]1[....
2 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
3 1HX0 - GLC AC1 GLC AC1 n/a n/a
4 1WO2 - GLC BGC n/a n/a
5 1JFH Ki = 9 mM GLC MA1 n/a n/a
6 3L2L - GLC GLC GLC GLC n/a n/a
7 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
8 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
9 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
10 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC 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 11 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC 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 ACI G6D GLC 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 HSD G6D GLC HSD G6D GLC BGC 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 AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
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 - 3SA C19 H33 N O13 C[C@@H]1[C....
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 - HMC AGL GLC 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 C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC 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 10 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC 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 ACI G6D GLC 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 HSD G6D GLC HSD G6D GLC BGC 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 AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
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 - 3SA C19 H33 N O13 C[C@@H]1[C....
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 - HMC AGL GLC 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 C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
40 1G94 - DAF GLC DAF GLC GLC n/a n/a
41 1KXH - ACR C25 H43 N O18 C[C@@H]1[C....
42 1G9H - DAF BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC BGC 0.777778 1
3 BMA BMA GLA BMA BMA 0.712121 1
4 BMA BMA BMA BMA BMA BMA MAN 0.688525 0.970588
5 MAN BMA BMA BMA BMA BMA 0.688525 0.970588
6 BMA GLA 0.684211 1
7 GLA GLC 0.684211 1
8 GLA BMA 0.684211 1
9 MLB 0.684211 1
10 LAK 0.684211 1
11 GAL GAL 0.684211 1
12 MAN BMA 0.684211 1
13 GLA BGC 0.684211 1
14 BGC GLA 0.684211 1
15 GLA GAL GLC 0.677966 1
16 B4G 0.677966 1
17 GLC GLC GLC GLC GLC 0.677966 1
18 BGC GLC GLC GLC GLC GLC GLC 0.677966 1
19 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.677966 1
20 BMA MAN BMA 0.677966 1
21 MAN BMA BMA 0.677966 1
22 MTT 0.677966 1
23 DXI 0.677966 1
24 BMA BMA BMA BMA BMA BMA 0.677966 1
25 BMA BMA BMA 0.677966 1
26 GLC BGC BGC BGC BGC BGC 0.677966 1
27 BGC GLC GLC GLC 0.677966 1
28 GAL GAL GAL 0.677966 1
29 BGC GLC GLC 0.677966 1
30 CE5 0.677966 1
31 CE6 0.677966 1
32 BGC BGC BGC BGC BGC BGC 0.677966 1
33 GLC GLC GLC GLC GLC GLC GLC 0.677966 1
34 BGC BGC BGC GLC 0.677966 1
35 CTR 0.677966 1
36 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
37 CTT 0.677966 1
38 CT3 0.677966 1
39 GLC GLC BGC GLC GLC GLC GLC 0.677966 1
40 BGC GLC GLC GLC GLC 0.677966 1
41 CE8 0.677966 1
42 MT7 0.677966 1
43 GLC GAL GAL 0.677966 1
44 MLR 0.677966 1
45 GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
46 MAN BMA BMA BMA BMA 0.677966 1
47 GLC BGC GLC 0.677966 1
48 GLC BGC BGC 0.677966 1
49 CEY 0.677966 1
50 GLC BGC BGC BGC BGC 0.677966 1
51 CEX 0.677966 1
52 GLC GLC BGC 0.677966 1
53 MAN MAN BMA BMA BMA BMA 0.677966 1
54 BMA BMA BMA BMA BMA 0.677966 1
55 GLC GLC GLC GLC GLC BGC 0.661017 1
56 GLC GLC GLC GLC BGC 0.661017 1
57 MAN MAN MAN 0.661017 1
58 GLC GLC GLC 0.661017 1
59 MAN MAN MAN MAN 0.656716 1
60 MAN MAN BMA MAN 0.656716 1
61 GLA EGA 0.639344 0.942857
62 GAL BGC NAG GAL 0.621622 0.733333
63 LAT GLA 0.62069 1
64 GLA GAL BGC 5VQ 0.615385 0.891892
65 GLC GLC GLC GLC 0.61194 1
66 LAT 0.610169 1
67 N9S 0.610169 1
68 LBT 0.610169 1
69 CBI 0.610169 1
70 BGC GAL 0.610169 1
71 GLA GLA 0.610169 1
72 MAL 0.610169 1
73 GAL GLC 0.610169 1
74 GLC BGC 0.610169 1
75 GAL BGC 0.610169 1
76 MAB 0.610169 1
77 BMA GAL 0.610169 1
78 BMA BMA 0.610169 1
79 CBK 0.610169 1
80 GLA GAL 0.610169 1
81 MAL MAL 0.610169 0.970588
82 GLC GAL 0.610169 1
83 BGC GLC 0.610169 1
84 BGC BMA 0.610169 1
85 B2G 0.610169 1
86 BGC BGC GLC 0.609375 1
87 MAL EDO 0.603175 0.942857
88 6SA 0.597826 0.733333
89 MAN MAN MAN BMA MAN 0.594595 1
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.588235 1
91 BGC BGC BGC BGC 0.588235 1
92 GLA GAL GLC NBU 0.588235 0.846154
93 BGC BGC XYS BGC 0.586667 0.942857
94 M5S 0.577465 1
95 MAN BMA MAN MAN MAN 0.577465 1
96 BGC BGC BGC XYS BGC BGC 0.576923 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.576923 0.942857
98 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.576923 0.942857
99 GLC GLC BGC XYS BGC XYS 0.551282 0.942857
100 GLC BGC BGC BGC XYS BGC XYS XYS 0.548781 0.916667
101 IAB 0.544444 0.733333
102 FUB AHR 0.542373 0.857143
103 AHR AHR 0.542373 0.857143
104 AHR AHR AHR 0.540984 0.857143
105 FUB AHR AHR 0.540984 0.857143
106 DR5 0.539683 0.942857
107 MMA MAN 0.539683 0.942857
108 GLA GAL GAL 0.529412 1
109 GLA GAL BGC 0.529412 1
110 GLC GLC XYP 0.527778 1
111 UMQ 0.527778 0.785714
112 LMT 0.527778 0.785714
113 LMU 0.527778 0.785714
114 DMU 0.527778 0.785714
115 GLC BGC BGC XYS BGC XYS XYS 0.525 0.942857
116 BGC BGC XYS BGC XYS BGC XYS 0.525 0.942857
117 BGC BGC BGC XYS BGC XYS XYS 0.525 0.942857
118 MAN MAN MAN BMA MAN MAN MAN 0.52381 0.942857
119 BMA BMA MAN 0.523077 0.970588
120 G2F BGC BGC BGC BGC BGC 0.521127 0.868421
121 BGC BGC BGC XYS GAL 0.518519 0.942857
122 6UZ 0.506667 0.846154
123 GLC BGC BGC XYS BGC XYS XYS GAL 0.505618 0.942857
124 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.505618 0.942857
125 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.505618 0.942857
126 GAL BGC BGC BGC XYS XYS 0.505618 0.942857
127 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.505618 0.942857
128 MAN MMA MAN 0.5 0.942857
129 GAL BGC BGC XYS 0.5 0.942857
130 GAL BGC BGC BGC XYS BGC XYS 0.494253 0.942857
131 BGC BGC BGC XYS BGC XYS GAL 0.494253 0.942857
132 ABD 0.493976 0.75
133 G3I 0.486486 0.767442
134 G2I 0.486486 0.767442
135 OXZ BGC BGC 0.486486 0.6875
136 M3M 0.484375 1
137 MAN GLC 0.484375 1
138 LB2 0.484375 1
139 NAG MAN GAL MAN MAN NAG GAL 0.483516 0.6875
140 BMA BMA BMA BMA GLA BMA GLA 0.478261 0.846154
141 U63 0.477612 0.891892
142 CM5 0.475 0.891892
143 NGA GAL BGC 0.474359 0.733333
144 GLC GLC XYS 0.473684 0.970588
145 MVP 0.471429 0.733333
146 GAL NGA GLA BGC GAL 0.470588 0.733333
147 MAN MMA 0.469697 0.942857
148 BGC BGC G2F SHG 0.469136 0.846154
149 MA4 0.469136 0.891892
150 MAN MAN 0.46875 1
151 2M4 0.46875 1
152 BGC BGC 0.46875 1
153 LAG 0.467532 0.6
154 SOR GLC GLC GLC 0.467532 0.970588
155 NAG BMA MAN MAN MAN MAN 0.465909 0.733333
156 GAL GAL SO4 0.465753 0.702128
157 BMA MAN MAN 0.464789 1
158 NAG MAN MAN 0.463415 0.733333
159 NAG MAN BMA 0.463415 0.733333
160 MAN H1M MAN 0.461538 0.868421
161 BGC BGC XYS BGC XYS GAL 0.460674 0.916667
162 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.460674 0.916667
163 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.460674 0.916667
164 GAL FUC 0.455882 0.941176
165 WZ3 0.455696 0.916667
166 GLC GLC XYS XYS 0.454545 0.914286
167 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.452632 0.733333
168 MAN MAN NAG MAN NAG 0.451613 0.6875
169 NAG NAG BMA MAN MAN 0.451613 0.6875
170 QV4 0.450549 0.733333
171 GLC GLC G6D ACI GLC GLC GLC 0.450549 0.785714
172 BGC BGC BGC BGC BGC 0.449275 1
173 BGC BGC BGC ASO BGC BGC ASO 0.449275 1
174 BGC BGC BGC GLC BGC BGC 0.449275 1
175 BGC BGC BGC 0.449275 1
176 GLC BGC BGC BGC 0.449275 1
177 GLC BGC BGC BGC BGC BGC BGC 0.449275 1
178 LSE 0.448718 0.6875
179 RCB 0.444444 0.622642
180 GLC GLC FRU 0.444444 0.868421
181 MAN MAN BMA 0.442857 1
182 NGA GLA GAL BGC 0.44186 0.733333
183 SOR GLC GLC 0.441558 0.970588
184 BMA MAN 0.441176 0.914286
185 FUC BGC GAL 0.44 0.970588
186 BGC GLA GAL FUC 0.439024 0.970588
187 NDG GAL 0.438356 0.733333
188 GAL NDG 0.438356 0.733333
189 NLC 0.438356 0.733333
190 GLO GLC GLC GLC 0.433735 0.942857
191 GLC GLC AGL HMC GLC 0.431579 0.733333
192 ACR GLC GLC GLC 0.431579 0.733333
193 GLC GLC ACI G6D GLC GLC 0.431579 0.733333
194 GLC GLC DAF BGC 0.431579 0.733333
195 TRE 0.431034 1
196 GLC GAL NAG GAL 0.430233 0.733333
197 NAG BMA MAN MAN MAN MAN MAN 0.430233 0.868421
198 LAT FUC 0.428571 0.970588
199 BMA NGT MAN MAN 0.428571 0.66
200 GLC GAL FUC 0.428571 0.970588
201 BGC GAL FUC 0.428571 0.970588
202 FUC GAL GLC 0.428571 0.970588
203 FUC LAT 0.428571 0.970588
204 10M 0.425 0.733333
205 GLA MBG 0.424242 0.942857
206 BGC GAL NAG GAL 0.423529 0.733333
207 LAT NAG GAL 0.423529 0.733333
208 GAL NAG GAL BGC 0.423529 0.733333
209 4MU BGC BGC BGC BGC 0.420455 0.767442
210 NPJ 0.419753 0.622642
211 ARE 0.416667 0.733333
212 AAO 0.416667 0.733333
213 GAL NAG MAN 0.414634 0.733333
214 MAN NAG GAL 0.414634 0.733333
215 M5G 0.413462 0.6875
216 NBG BGC BGC XYS BGC XYS XYS 0.413043 0.702128
217 GLC GLC GLC G6D ADH GLC 0.412371 0.6875
218 LAT SPH DAO 0.410526 0.611111
219 LAT SPH OLA 0.410526 0.611111
220 P3M 0.410256 0.767442
221 NAG MAN MAN MAN NAG GAL NAG GAL 0.41 0.673469
222 MAN BMA NAG NAG MAN NAG GAL GAL 0.41 0.673469
223 NAG MAN GAL BMA NAG MAN NAG GAL 0.41 0.673469
224 NAG MAN GAL BMA NDG MAN NAG GAL 0.41 0.673469
225 GLO GLC GLC 0.409639 0.942857
226 4MU BGC BGC 0.409091 0.767442
227 GLC G6D ADH GLC 0.406593 0.785714
228 GLC G6D ACI GLC 0.406593 0.785714
229 GLC ACI G6D BGC 0.406593 0.785714
230 GLC ACI GLD GLC 0.406593 0.785714
231 GAL GAL GLC EMB MEC 0.40625 0.622642
232 T6P 0.405797 0.767442
233 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40566 0.6875
234 FRU GLC GLA 0.405063 0.891892
235 RAF 0.405063 0.891892
236 BGC BGC SGC MGL 0.404762 0.868421
237 MGL SGC GLC GLC 0.404762 0.868421
238 MAN MAN MAN MAN MAN MAN MAN MAN 0.404255 0.846154
239 1GN ACY GAL ACY 1GN BGC GAL BGC 0.404255 0.6875
240 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.404255 0.6875
241 NAG GAL GAL NAG GAL 0.402299 0.6875
242 8VZ 0.4 0.673469
243 DOM 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PIG; Ligand: BGC GLC; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 1pig.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NM5 NAP 0.001349 0.4658 3.94089
Pocket No.: 2; Query (leader) PDB : 1PIG; Ligand: GLC GLC; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 1pig.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DPC HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.0143 0.4101 1.31868
2 2IOY RIP 0.007677 0.40118 1.41343
3 4PIV NDP 0.04796 0.40235 1.6129
4 1JA9 NDP 0.02114 0.41982 3.28467
5 1GP6 SIN 0.02464 0.414 3.37079
6 1GP6 QUE 0.04116 0.40214 3.37079
7 3F81 STT 0.0121 0.40032 3.82514
8 4KQR VPP 0.02365 0.40045 4.03226
9 1XHL NDP 0.01737 0.42521 4.3771
10 3C6K MTA 0.04096 0.41087 4.83871
11 3C6K SPD 0.04096 0.41087 4.83871
12 3QWI CUE 0.03257 0.41604 5.55556
13 3QWI NAP 0.02314 0.41604 5.55556
14 5JFT ACE ASP GLU VAL ASP 0QE 0.0169 0.4052 5.62249
15 2OGA PGU 0.02745 0.40279 6.01504
16 4PFO ADP 0.01076 0.42799 6.25
17 1OYT FSN 0.02485 0.40006 6.56371
18 2W1A TSA 0.01522 0.40708 7.77778
19 3SUD SUE 0.0333 0.40504 7.88177
Pocket No.: 3; Query (leader) PDB : 1PIG; Ligand: AGL GLC HMC AGL GLC BGC; Similar sites found: 61
This union binding pocket(no: 3) in the query (biounit: 1pig.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5WZN A2G 0.04855 0.40087 1.41129
2 1ESW ACR 0.01524 0.41967 1.81452
3 2G50 PYR 0.01876 0.42583 2.01613
4 1JS8 MAN MAN BMA 0.04001 0.40611 2.03046
5 2XT3 ADP 0.01772 0.43059 2.03488
6 4ISS TAR 0.01149 0.43867 2.17391
7 4Y9T PA1 0.02929 0.41715 2.31214
8 3AXI GLC 0.0001167 0.50877 2.41935
9 1KC7 PPR 0.02237 0.42721 2.41935
10 1E4I NFG 0.04553 0.41265 2.46085
11 5CQG 55C 0.02336 0.42504 2.62097
12 2J5V PCA 0.004398 0.47898 2.7248
13 1T5C ADP 0.04924 0.40433 2.86533
14 1GJW MAL 0.00761 0.43911 3.02419
15 3CV2 OXL 0.04161 0.409 3.02419
16 4L80 OXL 0.01817 0.43127 3.16092
17 3TTM PUT 0.03622 0.41571 3.17919
18 2XIB DFU 0.008535 0.43236 3.31126
19 2PWG CTS 0.0001886 0.49406 3.42742
20 1JDC GLC GLC GLC GLC 0.0000166 0.42396 3.7296
21 5MGJ 7MX 0.03503 0.40812 3.80952
22 3N29 GOL 0.02047 0.43714 3.82775
23 3EDF ACX 0.0000159 0.53782 3.83065
24 3EDF CE6 0.00002336 0.52501 3.83065
25 5CGM MAL 0.00431 0.44727 4.23387
26 1VBH PEP 0.02158 0.42565 4.23387
27 2V5K OXM 0.01031 0.45049 4.87805
28 2NUN ADP 0.03773 0.40675 5.26316
29 5JBE GLC GLC GLC GLC GLC 0.001477 0.40778 5.44355
30 3CYI ATP 0.04349 0.40946 5.45455
31 3KLL MAL 0.001894 0.40859 5.64516
32 1VKF CIT 0.04337 0.41206 5.85106
33 3K8L CEY 0.0000735 0.4939 6.12855
34 3K8L MT7 0.0002028 0.45679 6.12855
35 1VB9 GLC GLC GLC GLC GLC GLC 0.0000432 0.52351 6.45161
36 1KTC NGA 0.03986 0.40933 7.16049
37 4CP8 MLI 0.04726 0.40656 7.18686
38 1J0I GLC GLC GLC 0.00003043 0.56216 7.8629
39 5LXB 7A9 0.04277 0.40929 8.26446
40 1W6F ISZ 0.02991 0.41028 8.63309
41 3UER BTU 0.00001122 0.57682 8.87097
42 3LRE ADP 0.02996 0.41903 9.85915
43 2ZID GLC GLC GLC 0.0000588 0.52844 10.2823
44 4TVD BGC 0.000007676 0.61868 10.4839
45 1UAS GLA 0.03248 0.41023 10.4972
46 3CZG GLC 0.004627 0.46012 10.6855
47 3WY2 BGC 0.00002092 0.538 10.8871
48 5BRP PNG 0.00366 0.46848 11.0887
49 1LWJ ACG 0.000006639 0.42648 12.2449
50 2D3N GLC 0.00001269 0.48481 14.433
51 2D3N GLC GLC GLC GLC GLC GLC 0.00001707 0.47168 14.433
52 2D3N GLC GLC GLC GLC 0.00002101 0.45905 14.433
53 5N8V KZZ 0.04768 0.4013 14.4928
54 3VM7 GLC 0.0000005522 0.68188 14.6341
55 8CGT TM6 0.0000002344 0.60677 14.7177
56 2FHF GLC GLC GLC GLC 0.00001571 0.51309 16.7339
57 4HPH SUC 0.00004112 0.54205 16.9355
58 2CXG GLC G6D ACI GLC 0.0000001135 0.55883 22.7823
59 1QHO ABD 0.000002459 0.47701 32.8629
60 1UKQ GLC ACI G6D GLC 0.0000005378 0.57908 36.8952
61 3BMW GLC GLC G6D ACI GLC GLC GLC 0.0000002807 0.61 37.5
Pocket No.: 4; Query (leader) PDB : 1PIG; Ligand: BGC; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 1pig.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LY1 PPI 0.00001773 0.45183 1.83727
2 5F3I 5UJ 0.005971 0.41411 1.94444
3 5H9Y BGC BGC BGC BGC 0.0003732 0.47543 2.02703
4 4IGQ THR M3L GLN 0.0001987 0.43479 2.5
5 5DEX 5E0 0.0004444 0.40859 3.88693
6 4OR7 25U 0.003073 0.46597 5.45455
7 1GZF NAD 0.01413 0.41061 16.5877
8 3F6R FMN 0.001269 0.46726 24.3243
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