Receptor
PDB id Resolution Class Description Source Keywords
1OSE 2.3 Å EC: 3.2.1.1 PORCINE PANCREATIC ALPHA-AMYLASE COMPLEXED WITH ACARBOSE SUS SCROFA ALPHA-AMYLASE ACARBOSE HYDROLASE (O-GLYCOSYL) HYDROLASE
Ref.: CRYSTAL STRUCTURE OF PIG PANCREATIC ALPHA-AMYLASE ISOENZYME II, IN COMPLEX WITH THE CARBOHYDRATE INHIBITOR ACARBOSE. EUR.J.BIOCHEM. V. 238 561 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AC1 GLC AC1 BGC A:990;
Valid;
none;
submit data
954.967 n/a O(C1O...
BGC A:996;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
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-]
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: AC1 GLC AC1 BGC; Similar ligands found: 108
No: Ligand ECFP6 Tc MDL keys Tc
1 DAF GLC DAF GLC GLC 1 1
2 BGC GLC AC1 GLC GLC GLC AC1 1 1
3 ACI GLD GLC ACI G6D BGC 1 1
4 AC1 GLC AC1 BGC 1 1
5 ACI G6D GLC ACI G6D BGC 1 1
6 ACI GLD GLC GLC GLC ACI GLD GLC GAL 1 1
7 DAF BGC GLC 0.909091 0.954545
8 DAF GLC GLC 0.909091 0.954545
9 ACI GLD GLC GAL 0.909091 0.954545
10 GLC GLC G6D ACI GLC GLC GLC 0.855422 0.954545
11 DAF BGC 0.844156 0.954545
12 DAF GLC 0.844156 0.954545
13 GLC ACI GLD GLC 0.807229 0.954545
14 GLC G6D ACI GLC 0.807229 0.954545
15 GLC ACI G6D BGC 0.807229 0.954545
16 GLC G6D ADH GLC 0.807229 0.954545
17 BGC GLC DAF GLC GLC GLC DAF 0.721649 0.916667
18 ACR GLC 0.536082 0.854167
19 ACR GLC GLC GLC GLC 0.536082 0.854167
20 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.504762 0.875
21 TXT 0.5 0.891304
22 GAC 0.5 0.891304
23 GLC GLC AGL HMC GLC 0.490566 0.854167
24 GLC GLC DAF BGC 0.490566 0.854167
25 GLC GLC ACI G6D GLC GLC 0.490566 0.854167
26 ACR GLC GLC GLC 0.490566 0.854167
27 HSD G6D GLC HSD G6D GLC BGC 0.485981 0.895833
28 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.485981 0.895833
29 HSD G6D GLC HSD G6D GLC GLC 0.485981 0.895833
30 ACI G6D GLC ACI G6D GLC GLC 0.485981 0.895833
31 AGL GLC HMC AGL GLC BGC 0.459459 0.875
32 CE6 0.457831 0.75
33 CTR 0.457831 0.75
34 CE8 0.457831 0.75
35 MAN BMA BMA BMA BMA 0.457831 0.75
36 BGC BGC BGC BGC BGC BGC 0.457831 0.75
37 GLC GAL GAL 0.457831 0.75
38 MAN MAN BMA BMA BMA BMA 0.457831 0.75
39 MAN BMA BMA 0.457831 0.75
40 MLR 0.457831 0.75
41 BGC BGC BGC GLC 0.457831 0.75
42 BMA BMA BMA 0.457831 0.75
43 BGC GLC GLC GLC 0.457831 0.75
44 CE5 0.457831 0.75
45 GLC GLC GLC GLC GLC 0.457831 0.75
46 DXI 0.457831 0.75
47 GLC BGC BGC BGC BGC BGC 0.457831 0.75
48 GLA GAL GLC 0.457831 0.75
49 BGC GLC GLC 0.457831 0.75
50 BGC GLC GLC GLC GLC 0.457831 0.75
51 GLC BGC GLC 0.457831 0.75
52 CEY 0.457831 0.75
53 GLC GLC BGC 0.457831 0.75
54 GLC BGC BGC 0.457831 0.75
55 GLC GLC BGC GLC GLC GLC GLC 0.457831 0.75
56 BMA BMA BMA BMA BMA BMA 0.457831 0.75
57 CT3 0.457831 0.75
58 GLC GLC GLC GLC GLC GLC GLC GLC 0.457831 0.75
59 GLC BGC BGC BGC BGC 0.457831 0.75
60 MT7 0.457831 0.75
61 MTT 0.457831 0.75
62 CTT 0.457831 0.75
63 BMA BMA BMA BMA BMA 0.457831 0.75
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.457831 0.75
65 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.457831 0.75
66 GLC GLC GLC GLC GLC GLC GLC 0.457831 0.75
67 GAL GAL GAL 0.457831 0.75
68 B4G 0.457831 0.75
69 CEX 0.457831 0.75
70 BGC GLC GLC GLC GLC GLC GLC 0.457831 0.75
71 BMA MAN BMA 0.457831 0.75
72 BMA BMA BMA BMA BMA BMA MAN 0.453488 0.733333
73 MAN BMA BMA BMA BMA BMA 0.453488 0.733333
74 GLC ACI G6D GLC 0.45283 0.854167
75 GLC ACI GLD GAL 0.45283 0.854167
76 GLC GAL FUC 0.434783 0.772727
77 LAT FUC 0.434783 0.772727
78 BGC GAL FUC 0.434783 0.772727
79 FUC GAL GLC 0.434783 0.772727
80 FUC LAT 0.434783 0.772727
81 BGC BGC BGC BGC 0.428571 0.75
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.428571 0.75
83 ABD 0.417476 0.833333
84 NGA GAL BGC 0.412371 0.816327
85 GLA GAL 0.409639 0.75
86 MAL 0.409639 0.75
87 MAB 0.409639 0.75
88 BGC GAL 0.409639 0.75
89 GAL GLC 0.409639 0.75
90 BMA GAL 0.409639 0.75
91 GAL BGC 0.409639 0.75
92 CBK 0.409639 0.75
93 BMA BMA 0.409639 0.75
94 MAL MAL 0.409639 0.733333
95 CBI 0.409639 0.75
96 B2G 0.409639 0.75
97 BGC GLC 0.409639 0.75
98 GLA GLA 0.409639 0.75
99 BGC BMA 0.409639 0.75
100 GLC BGC 0.409639 0.75
101 GLC GAL 0.409639 0.75
102 LAT 0.409639 0.75
103 N9S 0.409639 0.75
104 LBT 0.409639 0.75
105 BMA BMA GLA BMA BMA 0.40625 0.75
106 BGC BGC GLC 0.404494 0.75
107 QPS 0.401869 0.816327
108 ACR 0.401869 0.816327
Ligand no: 2; Ligand: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
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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