Receptor
PDB id Resolution Class Description Source Keywords
2PHT 2.1 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (P L) IN COMPLEX WITH MAN-7D3 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE HIGH MANNOSE SUGAR BINDING PROTEIN
Ref.: HOW A PLANT LECTIN RECOGNIZES HIGH MANNOSE OLIGOSAC PLANT PHYSIOL. V. 144 1733 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN MAN A:253;
Valid;
none;
submit data
504.438 n/a O(CC1...
MAN MAN MAN BMA MAN B:253;
Valid;
none;
submit data
828.72 n/a O(CC1...
MN A:301;
B:301;
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
2PHT 2.1 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (P L) IN COMPLEX WITH MAN-7D3 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE HIGH MANNOSE SUGAR BINDING PROTEIN
Ref.: HOW A PLANT LECTIN RECOGNIZES HIGH MANNOSE OLIGOSAC PLANT PHYSIOL. V. 144 1733 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2PHT - MAN MAN MAN n/a n/a
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 2PHT - MAN MAN MAN n/a n/a
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 2PHT - MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN MAN; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN 1 1
2 BMA MAN MAN 1 1
3 GLC GLC GLC 1 1
4 GLC GLC GLC GLC BGC 1 1
5 GLC GLC GLC GLC GLC BGC 1 1
6 MAN BMA 0.953488 1
7 BMA MAN 0.953488 1
8 BMA GLA 0.953488 1
9 GLA GLC 0.953488 1
10 LAK 0.953488 1
11 GLA BGC 0.953488 1
12 MLB 0.953488 1
13 GAL GAL 0.953488 1
14 MAN MAN 0.953488 1
15 GLC BGC 0.953488 1
16 BGC GLA 0.953488 1
17 GLA BMA 0.953488 1
18 GLC GLC 0.953488 1
19 GAL GLC 0.953488 1
20 BGC GLC 0.953488 1
21 FUB AHR AHR 0.744681 0.857143
22 AHR AHR AHR AHR AHR AHR 0.744681 0.857143
23 MAN MAN BMA MAN 0.736842 1
24 MAN MAN MAN MAN 0.736842 1
25 AHR AHR 0.717391 0.857143
26 FUB AHR 0.717391 0.857143
27 MAN MMA 0.666667 0.942857
28 MAN BMA MAN 0.649123 1
29 GLC GLC GLC BGC 0.639344 1
30 M5S 0.612903 1
31 MAN BMA MAN MAN MAN 0.612903 1
32 MAN MAN MAN BMA MAN 0.58209 1
33 MAN MAN MAN MAN MAN MAN MAN 0.56338 1
34 STW 0.538462 0.891892
35 BMA BMA GLA BMA BMA 0.530303 1
36 MAN MMA MAN 0.52381 0.942857
37 RAF 0.523077 0.891892
38 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
39 NGB 0.492754 0.622642
40 BGC 0.488889 0.848485
41 GXL 0.488889 0.848485
42 GLC 0.488889 0.848485
43 GIV 0.488889 0.848485
44 MAN 0.488889 0.848485
45 BMA 0.488889 0.848485
46 WOO 0.488889 0.848485
47 GLA 0.488889 0.848485
48 GAL 0.488889 0.848485
49 ALL 0.488889 0.848485
50 AHR AHR AHR 0.483333 0.805556
51 SUC GLA 0.478873 0.891892
52 BMA MAN MAN MAN MAN 0.471429 1
53 4CQ 0.46875 0.970588
54 WZ2 0.463768 0.868421
55 NAG MAN MAN 0.459459 0.733333
56 B2G 0.45614 1
57 CBI 0.45614 1
58 LAT 0.45614 1
59 GLA GAL 0.45614 1
60 MAL 0.45614 1
61 GLA GLA 0.45614 1
62 BGC BMA 0.45614 1
63 GLC GAL 0.45614 1
64 BMA GAL 0.45614 1
65 BGC GAL 0.45614 1
66 MAB 0.45614 1
67 GAL BGC 0.45614 1
68 N9S 0.45614 1
69 CBK 0.45614 1
70 LBT 0.45614 1
71 RGG 0.454545 0.882353
72 NOJ BGC 0.451613 0.695652
73 DMJ MAN 0.451613 0.695652
74 WZ3 0.450704 0.916667
75 DEG 0.446429 0.769231
76 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
77 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
78 IFM MAN 0.444444 0.711111
79 EMZ 0.44 0.783784
80 M6P 0.433962 0.674419
81 M6D 0.433962 0.674419
82 BGP 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 A6P 0.433962 0.674419
86 DGD 0.433735 0.733333
87 GAL GAL SO4 0.432836 0.66
88 EBQ 0.431034 0.789474
89 MAN GLC 0.431034 1
90 M3M 0.431034 1
91 EBG 0.431034 0.837838
92 LB2 0.431034 1
93 NGR 0.431034 1
94 BGC BGC XYS BGC 0.426667 0.942857
95 BMA MAN BMA 0.42623 1
96 CTR 0.42623 1
97 CE5 0.42623 1
98 GLC BGC BGC BGC BGC 0.42623 1
99 MT7 0.42623 1
100 BMA BMA BMA 0.42623 1
101 MAN MAN BMA BMA BMA BMA 0.42623 1
102 BMA BMA BMA BMA BMA 0.42623 1
103 MTT 0.42623 1
104 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
105 BGC BGC BGC BGC BGC 0.42623 1
106 MLR 0.42623 1
107 BGC GLC GLC 0.42623 1
108 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
109 MAN BMA BMA BMA BMA 0.42623 1
110 GLA GAL BGC 0.42623 1
111 CE6 0.42623 1
112 MAN BMA BMA 0.42623 1
113 DXI 0.42623 1
114 GLC BGC BGC BGC 0.42623 1
115 CE8 0.42623 1
116 BGC GLC GLC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 B4G 0.42623 1
119 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
120 MAN BMA BMA BMA BMA BMA 0.42623 1
121 CEY 0.42623 1
122 GLA GAL GLC 0.42623 1
123 BGC BGC BGC BGC BGC BGC 0.42623 1
124 CT3 0.42623 1
125 BGC GLC GLC GLC 0.42623 1
126 GLC GLC BGC 0.42623 1
127 GLC BGC BGC BGC BGC BGC 0.42623 1
128 GLC BGC GLC 0.42623 1
129 BGC BGC GLC 0.42623 1
130 CEX 0.42623 1
131 BGC BGC BGC 0.42623 1
132 GAL GAL GAL 0.42623 1
133 BGC BGC BGC BGC 0.42623 1
134 GLC GLC GLC GLC GLC 0.42623 1
135 BGC BGC BGC GLC 0.42623 1
136 GLC GAL GAL 0.42623 1
137 CTT 0.42623 1
138 BMA BMA BMA BMA BMA BMA 0.42623 1
139 BMA Z4Y NAG 0.425 0.717391
140 BHG 0.423729 0.714286
141 GLC HEX 0.423729 0.714286
142 JZR 0.423729 0.714286
143 TRE 0.42 1
144 WZ5 0.418605 0.702128
145 KGM 0.416667 0.738095
146 B7G 0.416667 0.738095
147 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
148 2M4 0.413793 1
149 MMA 0.411765 0.857143
150 GYP 0.411765 0.857143
151 AMG 0.411765 0.857143
152 MBG 0.411765 0.857143
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
155 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
156 BNG 0.409836 0.738095
157 BOG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 XGP 0.407407 0.697674
160 G1P 0.407407 0.697674
161 GL1 0.407407 0.697674
162 M1P 0.407407 0.697674
163 6SA 0.40625 0.733333
164 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
165 SER MAN 0.403226 0.72093
166 GAL FUC 0.403226 0.941176
167 XYT 0.402985 0.767442
168 GAL BGC NAG GAL 0.402597 0.733333
169 BQZ 0.4 0.909091
170 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 2; Ligand: MAN MAN MAN BMA MAN; Similar ligands found: 162
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN BMA MAN 1 1
2 MAN MAN MAN BMA MAN MAN MAN 0.837838 0.942857
3 MAN MAN BMA MAN 0.80303 1
4 MAN MAN MAN MAN 0.80303 1
5 MAN MAN MAN MAN MAN MAN MAN 0.723684 1
6 BMA MAN MAN MAN MAN 0.708333 1
7 MAN BMA MAN MAN MAN 0.690141 1
8 M5S 0.690141 1
9 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.666667 0.825
10 NAG BMA MAN MAN MAN MAN MAN 0.6375 0.868421
11 MAN BMA MAN 0.605634 1
12 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.589474 0.673469
13 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.585859 0.6875
14 BMA MAN MAN 0.58209 1
15 MAN MAN MAN 0.58209 1
16 GLC GLC GLC GLC GLC BGC 0.58209 1
17 GLC GLC GLC GLC BGC 0.58209 1
18 GLC GLC GLC 0.58209 1
19 BMA GLA 0.575758 1
20 GLC BGC 0.575758 1
21 GAL GAL 0.575758 1
22 GLA GLC 0.575758 1
23 BGC GLC 0.575758 1
24 MAN MAN 0.575758 1
25 MLB 0.575758 1
26 GLA BMA 0.575758 1
27 GLA BGC 0.575758 1
28 BMA MAN 0.575758 1
29 GAL GLC 0.575758 1
30 MAN BMA 0.575758 1
31 GLC GLC 0.575758 1
32 LAK 0.575758 1
33 BGC GLA 0.575758 1
34 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.569892 0.733333
35 MAN MMA MAN 0.567568 0.942857
36 NAG MAN MAN 0.560976 0.733333
37 MAN BMA NAG NAG MAN NAG GAL GAL 0.520408 0.673469
38 NAG MAN MAN MAN NAG GAL NAG GAL 0.520408 0.673469
39 M5G 0.519608 0.6875
40 MAN MAN MAN GLC 0.519481 1
41 WZ3 0.518519 0.916667
42 NAG MAN BMA MAN NAG GAL 0.510204 0.6875
43 BMA MAN MAN MAN 0.506667 1
44 GLC GLC GLC BGC 0.5 1
45 NAG MAN BMA NDG MAN NAG GAL 0.495146 0.673469
46 OPM MAN MAN 0.493976 0.804878
47 GLA GAL GAL 0.493333 1
48 NAG NAG BMA MAN MAN NAG GAL NAG 0.490385 0.673469
49 NAG BMA MAN MAN MAN MAN 0.489362 0.733333
50 BMA Z4Y NAG 0.488889 0.717391
51 NAG MAN MAN MAN NAG 0.483516 0.6875
52 GLC BGC BGC BGC BGC BGC BGC 0.479452 1
53 BGC BGC BGC GLC BGC BGC 0.479452 1
54 AHR AHR AHR AHR AHR AHR 0.478261 0.857143
55 GLA MBG 0.478261 0.942857
56 FUB AHR AHR 0.478261 0.857143
57 MAN MAN MAN MAN MAN MAN MAN MAN 0.473684 0.846154
58 NAG NAG FUL BMA MAN MAN NAG GAL 0.473214 0.622642
59 BMA BMA MAN 0.472973 1
60 MAN MAN BMA 0.472973 1
61 LB2 0.471429 1
62 M3M 0.471429 1
63 NGR 0.471429 1
64 MAN GLC 0.471429 1
65 GAL GAL SO4 0.468354 0.66
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.468354 1
67 BMA NGT MAN MAN 0.468085 0.66
68 WZ5 0.463918 0.702128
69 NAG NAG BMA MAN MAN 0.459184 0.6875
70 BMA BMA GLA BMA BMA 0.457831 1
71 FUB AHR 0.455882 0.857143
72 AHR AHR 0.455882 0.857143
73 GAL BGC BGC XYS 0.453488 0.942857
74 BGC BMA 0.450704 1
75 GLA GAL 0.450704 1
76 GLA GLA 0.450704 1
77 GLC GAL 0.450704 1
78 MAL 0.450704 1
79 BMA GAL 0.450704 1
80 N9S 0.450704 1
81 MAB 0.450704 1
82 CBI 0.450704 1
83 BGC GAL 0.450704 1
84 LBT 0.450704 1
85 LAT 0.450704 1
86 GAL BGC 0.450704 1
87 B2G 0.450704 1
88 CBK 0.450704 1
89 BQZ 0.447761 0.909091
90 NAG NAG BMA MAN MAN MAN MAN 0.445455 0.634615
91 KDO MAN MAN MAN MAN MAN 0.444444 0.868421
92 FUC C4W NAG BMA MAN MAN NAG 0.444444 0.634615
93 1GN ACY GAL ACY 1GN BGC GAL BGC 0.443299 0.6875
94 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.443299 0.6875
95 NAG BMA NAG MAN MAN NAG NAG 0.442308 0.673469
96 P3M 0.439024 0.767442
97 M13 0.438356 0.942857
98 GAL MBG 0.438356 0.942857
99 MDM 0.438356 0.942857
100 2M4 0.43662 1
101 BGC BGC BGC GLC 0.426667 1
102 BGC BGC BGC BGC BGC 0.426667 1
103 MTT 0.426667 1
104 BGC BGC BGC 0.426667 1
105 BGC BGC GLC 0.426667 1
106 BGC GLC GLC 0.426667 1
107 BMA BMA BMA 0.426667 1
108 MAN MAN BMA BMA BMA BMA 0.426667 1
109 GLC BGC BGC BGC BGC 0.426667 1
110 BMA BMA BMA BMA BMA BMA 0.426667 1
111 CTT 0.426667 1
112 BGC GLC GLC GLC GLC GLC GLC 0.426667 1
113 GLC BGC BGC BGC 0.426667 1
114 CTR 0.426667 1
115 CE5 0.426667 1
116 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.426667 1
117 MT7 0.426667 1
118 GLA GAL BGC 0.426667 1
119 CE6 0.426667 1
120 GLC GLC GLC GLC GLC 0.426667 1
121 CEX 0.426667 1
122 GLC GAL GAL 0.426667 1
123 GLC BGC BGC BGC BGC BGC 0.426667 1
124 BMA MAN BMA 0.426667 1
125 MLR 0.426667 1
126 MAN BMA BMA 0.426667 1
127 B4G 0.426667 1
128 MAN BMA BMA BMA BMA BMA 0.426667 1
129 BGC BGC BGC BGC BGC BGC 0.426667 1
130 BGC GLC GLC GLC 0.426667 1
131 CEY 0.426667 1
132 DXI 0.426667 1
133 GLA GAL GLC 0.426667 1
134 GAL GAL GAL 0.426667 1
135 GLC BGC GLC 0.426667 1
136 CT3 0.426667 1
137 CE8 0.426667 1
138 BGC GLC GLC GLC GLC 0.426667 1
139 BMA BMA BMA BMA BMA 0.426667 1
140 MAN BMA BMA BMA BMA 0.426667 1
141 GLC GLC BGC 0.426667 1
142 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.426667 1
143 GLC BGC BGC 0.426667 1
144 BGC BGC BGC BGC 0.426667 1
145 BGC BGC BGC XYS GAL 0.408602 0.942857
146 GAL FUC 0.407895 0.941176
147 GAL BGC NAG GAL 0.406593 0.733333
148 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.405941 0.942857
149 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.405941 0.942857
150 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.405941 0.942857
151 GLC BGC BGC XYS BGC XYS XYS GAL 0.405941 0.942857
152 GAL BGC BGC BGC XYS XYS 0.405941 0.942857
153 LAT FUC 0.404762 0.970588
154 BGC GAL FUC 0.404762 0.970588
155 GLC GAL FUC 0.404762 0.970588
156 FUC GAL GLC 0.404762 0.970588
157 8B7 0.404762 0.970588
158 GLA EGA 0.402597 0.942857
159 MAN BMA NAG 0.402299 0.733333
160 GLA GAL NAG 0.402299 0.733333
161 NAG NAG BMA MAN MAN NAG NAG 0.401786 0.622642
162 MAN MMA 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PHT; Ligand: MAN MAN 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: 2pht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PHT; Ligand: MAN MAN MAN BMA MAN; 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: 2pht.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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