Receptor
PDB id Resolution Class Description Source Keywords
1HX0 1.38 Å EC: 3.2.1.1 STRUCTURE OF PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE "TRUNCATE" ACARBOSE MOLECULE (PSEUDOTRISACCHARIDE) SUS SCROFA ALPHA-AMYLASE INHIBITOR CARBOHYDRATE PANCREAS HYDROLASE
Ref.: ENZYME-CATALYZED CONDENSATION REACTION IN A MAMMALI ALPHA-AMYLASE. HIGH-RESOLUTION STRUCTURAL ANALYSIS ENZYME-INHIBITOR COMPLEX BIOCHEMISTRY V. 40 7700 2001
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;
A:499;
A:501;
A:502;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:5000;
A:5001;
A:5002;
A:5003;
A:5004;
A:5005;
A:5006;
A:5007;
A:5008;
A:5010;
A:5014;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GLC AC1 GLC AC1 A:1993;
Valid;
none;
submit data n/a n/a n/a n/a
BGC AC1 GLC AC1 A:2993;
Valid;
none;
submit data n/a n/a n/a n/a
MAL EDO A:1994;
Valid;
none;
submit data
386.35 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 AC1 GLC AC1; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BGC AC1 GLC AC1; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 3; Ligand: MAL EDO; Similar ligands found: 203
No: Ligand ECFP6 Tc MDL keys Tc
1 MAL EDO 1 1
2 GLA GAL BGC 5VQ 0.745455 0.894737
3 GLA EGA 0.716981 0.891892
4 GLA GAL GLC NBU 0.706897 0.85
5 DMU 0.683333 0.790698
6 UMQ 0.683333 0.790698
7 LMU 0.683333 0.790698
8 LMT 0.683333 0.790698
9 LAT GLA 0.666667 0.942857
10 6UZ 0.650794 0.85
11 DR5 0.62963 0.891892
12 MMA MAN 0.62963 0.891892
13 GLA GAL GLC 0.607143 0.942857
14 CTR 0.607143 0.942857
15 GLC BGC GLC 0.607143 0.942857
16 CTT 0.607143 0.942857
17 CE5 0.607143 0.942857
18 GLC BGC BGC BGC BGC BGC 0.607143 0.942857
19 DXI 0.607143 0.942857
20 BGC BGC BGC GLC 0.607143 0.942857
21 BGC GLC GLC GLC 0.607143 0.942857
22 CE8 0.607143 0.942857
23 CE6 0.607143 0.942857
24 BGC BGC BGC BGC BGC BGC 0.607143 0.942857
25 CEY 0.607143 0.942857
26 GLC BGC BGC 0.607143 0.942857
27 GLC GLC GLC GLC GLC GLC GLC GLC 0.607143 0.942857
28 MT7 0.607143 0.942857
29 GLC BGC BGC BGC BGC 0.607143 0.942857
30 MLR 0.607143 0.942857
31 BMA BMA BMA BMA BMA BMA 0.607143 0.942857
32 MTT 0.607143 0.942857
33 BMA MAN BMA 0.607143 0.942857
34 BGC GLC GLC GLC GLC GLC GLC 0.607143 0.942857
35 GLC GLC GLC GLC GLC 0.607143 0.942857
36 GAL GAL GAL 0.607143 0.942857
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.607143 0.942857
38 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.607143 0.942857
39 BMA BMA BMA 0.607143 0.942857
40 MAN BMA BMA 0.607143 0.942857
41 BMA BMA BMA BMA BMA 0.607143 0.942857
42 B4G 0.607143 0.942857
43 MAN BMA BMA BMA BMA 0.607143 0.942857
44 CT3 0.607143 0.942857
45 GLC GLC BGC 0.607143 0.942857
46 BGC GLC GLC 0.607143 0.942857
47 MAN MAN BMA BMA BMA BMA 0.607143 0.942857
48 GLC GAL GAL 0.607143 0.942857
49 GLC GLC BGC GLC GLC GLC GLC 0.607143 0.942857
50 GLC GLC GLC GLC GLC GLC GLC 0.607143 0.942857
51 CEX 0.607143 0.942857
52 BGC GLC GLC GLC GLC 0.607143 0.942857
53 GLC GLC GLC GLC GLC GLC 0.603175 0.942857
54 CM5 0.602941 0.894737
55 MA4 0.594203 0.894737
56 MAN BMA BMA BMA BMA BMA 0.59322 0.916667
57 BMA BMA BMA BMA BMA BMA MAN 0.59322 0.916667
58 BGC BMA 0.592593 0.942857
59 LBT 0.592593 0.942857
60 LAT 0.592593 0.942857
61 BGC GAL 0.592593 0.942857
62 BGC GLC 0.592593 0.942857
63 N9S 0.592593 0.942857
64 BMA GAL 0.592593 0.942857
65 CBI 0.592593 0.942857
66 GAL BGC 0.592593 0.942857
67 MAL 0.592593 0.942857
68 MAL MAL 0.592593 0.916667
69 CBK 0.592593 0.942857
70 GAL GLC 0.592593 0.942857
71 BMA BMA 0.592593 0.942857
72 GLC GAL 0.592593 0.942857
73 GLC BGC 0.592593 0.942857
74 GLA GLA 0.592593 0.942857
75 GLA GAL 0.592593 0.942857
76 MAB 0.592593 0.942857
77 B2G 0.592593 0.942857
78 LSE 0.575758 0.693878
79 BGC BGC GLC 0.566667 0.942857
80 MVP 0.540984 0.73913
81 BMA BMA GLA BMA BMA 0.529412 0.942857
82 BGC BGC BGC BGC 0.523077 0.942857
83 G2F BGC BGC BGC BGC BGC 0.523077 0.825
84 BGC BGC BGC BGC BGC BGC BGC BGC 0.523077 0.942857
85 GAL BGC NAG GAL 0.520548 0.702128
86 GLC GLC GLC BGC 0.514706 0.942857
87 TRE 0.510204 0.942857
88 BMA MAN 0.508475 0.916667
89 GLA GAL BGC 0.507937 0.942857
90 GLA GAL GAL 0.507937 0.942857
91 G2I 0.507463 0.772727
92 G3I 0.507463 0.772727
93 OXZ BGC BGC 0.507463 0.693878
94 GLC GLC XYP 0.507463 0.942857
95 U63 0.5 0.846154
96 SOR GLC GLC 0.5 0.971429
97 GLC GLC XYS 0.492754 0.916667
98 2M4 0.491228 0.942857
99 GLA MBG 0.491228 0.891892
100 BGC BGC 0.491228 0.942857
101 MAN MAN 0.491228 0.942857
102 SOR GLC GLC GLC 0.485714 0.971429
103 LAG 0.485714 0.607143
104 LB2 0.482759 0.942857
105 MAN GLC 0.482759 0.942857
106 M3M 0.482759 0.942857
107 BMA BMA MAN 0.47541 0.916667
108 NPJ 0.472222 0.6
109 5QP 0.467742 0.888889
110 RCB 0.459459 0.6
111 GLO GLC GLC 0.459459 0.944444
112 DOM 0.459016 0.944444
113 10M 0.458333 0.73913
114 NDG GAL 0.454545 0.702128
115 GAL NDG 0.454545 0.702128
116 NLC 0.454545 0.702128
117 8VZ 0.454545 0.647059
118 MGL SGC GLC GLC 0.453333 0.825
119 BGC BGC SGC MGL 0.453333 0.825
120 GAL FUC 0.451613 0.888889
121 DEG 0.448276 0.775
122 BGC BGC G2F SHG 0.447368 0.804878
123 GLO GLC GLC GLC 0.447368 0.944444
124 BGC BGC BGC BGC BGC 0.444444 0.942857
125 BGC BGC BGC GLC BGC BGC 0.444444 0.942857
126 GLC BGC BGC BGC BGC BGC BGC 0.444444 0.942857
127 GLC BGC BGC BGC 0.444444 0.942857
128 BGC BGC BGC ASO BGC BGC ASO 0.444444 0.942857
129 BGC BGC BGC 0.444444 0.942857
130 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.443038 0.944444
131 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.443038 0.944444
132 BGC BGC BGC XYS BGC BGC 0.443038 0.944444
133 M13 0.442623 0.891892
134 RZM 0.442623 0.695652
135 GAL MBG 0.442623 0.891892
136 MDM 0.442623 0.891892
137 BMA MAN MAN 0.439394 0.942857
138 GTM BGC BGC 0.438356 0.825
139 MAN MNM 0.4375 0.717391
140 ABD 0.4375 0.717391
141 MAN MAN BMA 0.4375 0.942857
142 LAT SPH DAO 0.436782 0.648148
143 LAT SPH OLA 0.436782 0.648148
144 GLC GLC BGC XYS BGC XYS 0.435897 0.944444
145 BOG 0.435484 0.744186
146 HSJ 0.435484 0.744186
147 BNG 0.435484 0.744186
148 EBG 0.433333 0.842105
149 EBQ 0.433333 0.842105
150 RGG 0.431034 0.885714
151 FMO 0.430769 0.825
152 GAL NAG MAN 0.426667 0.702128
153 OPM MAN MAN 0.426667 0.809524
154 MAN NAG GAL 0.426667 0.702128
155 JZR 0.42623 0.72093
156 HEX GLC 0.42623 0.72093
157 GLC HEX 0.42623 0.72093
158 BHG 0.42623 0.72093
159 BGC BGC BGC XYS GAL 0.425 0.944444
160 ABL 0.424242 0.708333
161 NOY BGC 0.421875 0.717391
162 FRU GAL 0.421875 0.846154
163 BMA FRU 0.421875 0.846154
164 GAL BGC BGC XYS 0.421053 0.944444
165 4MU BGC BGC 0.419753 0.733333
166 T6P 0.419355 0.733333
167 KGM 0.419355 0.744186
168 B7G 0.419355 0.744186
169 MAN H1M MAN 0.418919 0.921053
170 ISX 0.415385 0.727273
171 VAM 0.415385 0.825
172 BGC OXZ 0.415385 0.673469
173 9MR 0.415385 0.75
174 IFM BMA 0.415385 0.75
175 BMA IFM 0.415385 0.75
176 IFM BGC 0.415385 0.75
177 GAL NGA GLA BGC GAL 0.414634 0.702128
178 4MU BGC BGC BGC BGC 0.414634 0.733333
179 GLC GLC GLC GLC 0.414286 0.942857
180 FUC BGC GAL 0.414286 0.916667
181 MAN MMA MAN 0.414286 0.891892
182 NAG BMA 0.414286 0.66
183 NGA GAL BGC 0.413333 0.702128
184 MAN BMA MAN MAN MAN 0.410959 0.942857
185 M5S 0.410959 0.942857
186 BGC BGC XYS BGC 0.410256 0.944444
187 NOJ GLC 0.409091 0.733333
188 GLC DMJ 0.409091 0.733333
189 BGC 18C GAL 0.408602 0.625
190 LAT SPH OCA 0.408602 0.625
191 GLC GAL NAG GAL 0.407407 0.702128
192 CGC 0.402985 0.888889
193 GAL NGT 0.402778 0.634615
194 NGT GAL 0.402778 0.634615
195 MAN DGO 0.4 0.864865
196 LAT NAG GAL 0.4 0.702128
197 GAL GAL GLC EMB MEC 0.4 0.660377
198 MAN BMA NAG 0.4 0.702128
199 GAL GAL SO4 0.4 0.673469
200 GAL NAG GAL BGC 0.4 0.702128
201 GLA GAL NAG 0.4 0.702128
202 NAG GAL GAL 0.4 0.702128
203 BGC GAL NAG GAL 0.4 0.702128
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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