Receptor
PDB id Resolution Class Description Source Keywords
2GND 2.25 Å NON-ENZYME: BINDING ONE HOUR EDTA TREATMENT, P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT SUGAR COMPMANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:256;
B:254;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN B:253;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MAN MMA A:253;
Valid;
none;
submit data
356.324 n/a O(CC1...
MN A:255;
B:255;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GND 2.25 Å NON-ENZYME: BINDING ONE HOUR EDTA TREATMENT, P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT SUGAR COMPMANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2GND - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2GND - MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2GND - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: MAN MMA; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MMA 1 1
2 MAN MMA MAN 0.666667 1
3 GLC GLC GLC 0.666667 0.942857
4 MAN MAN MAN 0.666667 0.942857
5 BMA MAN MAN 0.666667 0.942857
6 GLC GLC GLC GLC GLC BGC 0.666667 0.942857
7 GLC GLC GLC GLC BGC 0.666667 0.942857
8 GAL GAL 0.66 0.942857
9 MLB 0.66 0.942857
10 BMA MAN 0.66 0.942857
11 GLA BMA 0.66 0.942857
12 GLA GLC 0.66 0.942857
13 BGC GLC 0.66 0.942857
14 BGC GLA 0.66 0.942857
15 GLC BGC 0.66 0.942857
16 GLA BGC 0.66 0.942857
17 MAN BMA 0.66 0.942857
18 GAL GLC 0.66 0.942857
19 MAN MAN 0.66 0.942857
20 GLC GLC 0.66 0.942857
21 LAK 0.66 0.942857
22 BMA GLA 0.66 0.942857
23 GYP 0.651163 0.914286
24 AMG 0.651163 0.914286
25 MBG 0.651163 0.914286
26 MMA 0.651163 0.914286
27 WZ2 0.612903 0.921053
28 WZ3 0.569231 0.972222
29 FUB AHR 0.56 0.810811
30 AHR AHR 0.56 0.810811
31 FUB AHR AHR 0.557692 0.810811
32 AHR AHR AHR AHR AHR AHR 0.557692 0.810811
33 RAF 0.53125 0.846154
34 MAN BMA MAN 0.52459 0.942857
35 STW 0.523077 0.846154
36 GLC GLC GLC BGC 0.523077 0.942857
37 NGB 0.522388 0.6
38 MAN MAN MAN MAN 0.507692 0.942857
39 MAN MAN BMA MAN 0.507692 0.942857
40 4CQ 0.5 0.916667
41 WZ5 0.493827 0.744681
42 SUC GLA 0.485714 0.846154
43 NOJ BGC 0.483333 0.666667
44 DMJ MAN 0.483333 0.666667
45 DEG 0.481481 0.775
46 M5S 0.477612 0.942857
47 MAN BMA MAN MAN MAN 0.477612 0.942857
48 IFM MAN 0.47541 0.680851
49 MMA MAN 0.473684 1
50 DR5 0.473684 1
51 AXR BXY BXY BXX 0.472973 0.8
52 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.921053
53 EBQ 0.464286 0.794872
54 RGG 0.462963 0.833333
55 GLC HEX 0.45614 0.72093
56 JZR 0.45614 0.72093
57 BHG 0.45614 0.72093
58 MDM 0.448276 1
59 GAL MBG 0.448276 1
60 B7G 0.448276 0.744186
61 KGM 0.448276 0.744186
62 M13 0.448276 1
63 GLA MBG 0.446429 1
64 3PV 0.444444 0.7
65 BNG 0.440678 0.744186
66 HSJ 0.440678 0.744186
67 BOG 0.440678 0.744186
68 DGD 0.439024 0.73913
69 EBG 0.438596 0.794872
70 BMA BMA GLA BMA BMA 0.428571 0.942857
71 MAN MAN MAN MAN MAN MAN MAN 0.428571 0.942857
72 TRE 0.428571 0.942857
73 AXR BXY BXY BXY BXX BXX 0.425 0.8
74 HNV 0.41791 0.825
75 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.416667 0.693878
76 1GN ACY GAL ACY 1GN BGC GAL BGC 0.416667 0.693878
77 G1P 0.415094 0.666667
78 M1P 0.415094 0.666667
79 XGP 0.415094 0.666667
80 GL1 0.415094 0.666667
81 FK9 0.412698 0.704545
82 SER MAN 0.409836 0.688889
83 J7Z 0.406593 0.755556
84 DR4 0.402985 0.785714
85 XNS 0.402985 0.785714
86 MAN MAN MAN BMA MAN MAN MAN 0.402439 1
87 T6P 0.4 0.733333
88 MAN MAN MAN BMA MAN 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GND; Ligand: MAN; 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: 2gnd.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GND; Ligand: MAN MMA; 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: 2gnd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback