Receptor
PDB id Resolution Class Description Source Keywords
2PHX 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH MAN-5 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 A:253;
Valid;
none;
submit data
342.297 n/a O(CC1...
MAN MAN MAN MAN B:253;
Valid;
none;
submit data
666.579 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
2PHX 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH MAN-5 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 544 families.
1 2PHX - 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 420 families.
1 2PHX - 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 319 families.
1 2PHX - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 189
No: Ligand ECFP6 Tc MDL keys Tc
1 MLB 1 1
2 MAN MAN 1 1
3 GAL GLC 1 1
4 MAN BMA 1 1
5 GAL GAL 1 1
6 GLA BMA 1 1
7 BMA GLA 1 1
8 GLA BGC 1 1
9 GLA GLC 1 1
10 BGC GLA 1 1
11 LAK 1 1
12 GLC GLC GLC GLC BGC 0.953488 1
13 GLC GLC GLC GLC GLC BGC 0.953488 1
14 BMA MAN MAN 0.953488 1
15 AHR AHR 0.75 0.857143
16 FUB AHR 0.75 0.857143
17 MAN MAN BMA MAN 0.732143 1
18 MAN MAN MAN MAN 0.732143 1
19 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
20 FUB AHR AHR 0.702128 0.857143
21 MAN MAN MAN 0.672727 1
22 MAN BMA MAN 0.672727 1
23 GLC GLC GLC BGC 0.633333 1
24 M5S 0.606557 1
25 MAN BMA MAN MAN MAN 0.606557 1
26 BMA BMA MAN GLA GLA 0.583333 1
27 MAN MAN MAN BMA MAN 0.575758 1
28 BMA BMA GLA BMA BMA 0.546875 1
29 BMA BMA BMA GLA BMA 0.546875 1
30 GLC Z9N 0.54386 0.842105
31 MAN MMA MAN 0.540984 0.942857
32 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
33 GLA GLC FRU 0.515625 0.891892
34 RAF 0.515625 0.891892
35 GIV 0.511628 0.848485
36 ALL 0.511628 0.848485
37 WOO 0.511628 0.848485
38 GLC 0.511628 0.848485
39 GXL 0.511628 0.848485
40 BMA 0.511628 0.848485
41 GLA 0.511628 0.848485
42 GAL 0.511628 0.848485
43 MAN 0.511628 0.848485
44 BGC 0.511628 0.848485
45 SUC GLA GLA 0.507692 0.891892
46 SUC GLA GLA GLA 0.507692 0.891892
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 NGB 0.485294 0.622642
50 BMA MAN MAN MAN MAN 0.485294 1
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 BGC GAL 0.472727 1
54 GAL BGC 0.472727 1
55 MAL 0.472727 1
56 CBI 0.472727 1
57 B2G 0.472727 1
58 MAB 0.472727 1
59 BGC BMA 0.472727 1
60 LBT 0.472727 1
61 CBK 0.472727 1
62 N9S 0.472727 1
63 GLC GAL 0.472727 1
64 LAT 0.472727 1
65 BMA BMA 0.472727 1
66 BMA GAL 0.472727 1
67 NAG MAN MAN 0.472222 0.733333
68 RGG 0.471698 0.882353
69 SUC GLA 0.471429 0.891892
70 DMJ MAN 0.466667 0.695652
71 NOJ BGC 0.466667 0.695652
72 WZ3 0.463768 0.916667
73 DEG 0.462963 0.769231
74 IFM MAN 0.459016 0.711111
75 EMZ 0.458333 0.783784
76 G6P 0.45098 0.674419
77 BGP 0.45098 0.674419
78 M6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 A6P 0.45098 0.674419
81 M6D 0.45098 0.674419
82 AHR AHR AHR 0.45 0.805556
83 GLC BGC 0.446429 1
84 M3M 0.446429 1
85 MAN GLC 0.446429 1
86 GLA GAL 0.446429 1
87 LB2 0.446429 1
88 EBQ 0.446429 0.789474
89 GLA GLA 0.446429 1
90 EBG 0.446429 0.837838
91 GLC GLC 0.446429 1
92 NGR 0.446429 1
93 GAL GAL GAL 0.440678 1
94 CTT 0.440678 1
95 MAN BMA BMA BMA BMA 0.440678 1
96 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
97 CTR 0.440678 1
98 GLC BGC BGC BGC BGC BGC 0.440678 1
99 MAN BMA BMA 0.440678 1
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
101 CE6 0.440678 1
102 BGC BGC BGC GLC 0.440678 1
103 GLA GAL BGC 0.440678 1
104 BGC GLC GLC 0.440678 1
105 GLC BGC BGC BGC 0.440678 1
106 MT7 0.440678 1
107 BGC GLC GLC GLC GLC 0.440678 1
108 GLC GAL GAL 0.440678 1
109 DXI 0.440678 1
110 CEX 0.440678 1
111 B4G 0.440678 1
112 GLC BGC BGC BGC BGC 0.440678 1
113 CEY 0.440678 1
114 GLC BGC BGC 0.440678 1
115 MAN BMA BMA BMA BMA BMA 0.440678 1
116 GLC GLC GLC GLC GLC 0.440678 1
117 CT3 0.440678 1
118 BGC BGC GLC 0.440678 1
119 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
120 MTT 0.440678 1
121 GLC BGC GLC 0.440678 1
122 MAN MAN BMA BMA BMA BMA 0.440678 1
123 BGC BGC BGC 0.440678 1
124 CE8 0.440678 1
125 GLA GAL GLC 0.440678 1
126 BMA BMA BMA BMA BMA BMA 0.440678 1
127 MLR 0.440678 1
128 BMA MAN BMA 0.440678 1
129 BGC GLC GLC GLC 0.440678 1
130 CE5 0.440678 1
131 BGC BGC BGC BGC 0.440678 1
132 BMA BMA BMA 0.440678 1
133 BMA BMA BMA BMA BMA 0.440678 1
134 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
135 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
136 GLC HEX 0.438596 0.714286
137 JZR 0.438596 0.714286
138 BHG 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 BGC GLC 0.428571 1
144 BMA MAN 0.428571 1
145 MBG 0.428571 0.857143
146 MMA 0.428571 0.857143
147 GYP 0.428571 0.857143
148 2M4 0.428571 1
149 AMG 0.428571 0.857143
150 NAG BMA MAN MAN MAN MAN MAN 0.425287 0.733333
151 GAL GAL SO4 0.424242 0.66
152 HSJ 0.423729 0.738095
153 BOG 0.423729 0.738095
154 BNG 0.423729 0.738095
155 GL1 0.423077 0.697674
156 G1P 0.423077 0.697674
157 XGP 0.423077 0.697674
158 M1P 0.423077 0.697674
159 BGC BGC XYS BGC 0.418919 0.942857
160 GAL FUC 0.416667 0.941176
161 SER MAN 0.416667 0.72093
162 XYT 0.415385 0.767442
163 BQZ 0.415094 0.909091
164 6SA 0.414894 0.733333
165 GAL BGC NAG GAL 0.413333 0.733333
166 GAL BGC BGC XYS 0.410959 0.942857
167 BGC BGC BGC GLC BGC BGC 0.409836 1
168 BGC BGC BGC BGC BGC BGC 0.409836 1
169 GLC GLC GLC GLC 0.409836 1
170 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
171 GLA EGA 0.409836 0.942857
172 GLC GLC GLC 0.409836 1
173 GLC GLC BGC 0.409836 1
174 DGD 0.409639 0.733333
175 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
176 BGC BGC XYS XYS GAL 0.407407 0.942857
177 NAG NAG BMA MAN MAN 0.406977 0.6875
178 T6P 0.40678 0.767442
179 GLA GAL GAL 0.40625 1
180 NAG BMA MAN MAN MAN MAN MAN MAN 0.404494 0.733333
181 IAB 0.404494 0.733333
182 MAN MAN BMA 0.403226 1
183 BMA BMA MAN 0.403226 1
184 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
185 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
186 XYS BGC BGC XYS BGC XYS BGC 0.402597 0.942857
187 XYS BGC BGC XYS BGC BGC XYS 0.402597 0.942857
188 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
189 BMA MAN MAN MAN 0.4 1
Ligand no: 2; Ligand: MAN MAN MAN MAN; Similar ligands found: 181
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN BMA MAN 1 1
2 MAN MAN MAN MAN 1 1
3 MAN BMA MAN MAN MAN 0.852459 1
4 M5S 0.852459 1
5 MAN MAN MAN BMA MAN 0.80303 1
6 MAN MAN MAN 0.754098 1
7 MAN BMA MAN 0.754098 1
8 GLC GLC GLC GLC GLC BGC 0.736842 1
9 GLC GLC GLC GLC BGC 0.736842 1
10 BMA MAN MAN 0.736842 1
11 GLA BMA 0.732143 1
12 MLB 0.732143 1
13 MAN MAN 0.732143 1
14 GLA BGC 0.732143 1
15 LAK 0.732143 1
16 MAN BMA 0.732143 1
17 GAL GAL 0.732143 1
18 GAL GLC 0.732143 1
19 BMA GLA 0.732143 1
20 GLA GLC 0.732143 1
21 BGC GLA 0.732143 1
22 MAN MMA MAN 0.703125 0.942857
23 MAN MAN MAN BMA MAN MAN MAN 0.675325 0.942857
24 WZ3 0.611111 0.916667
25 MAN MAN MAN MAN MAN MAN MAN 0.61039 1
26 GLC GLC GLC BGC 0.591549 1
27 FUB AHR AHR 0.583333 0.857143
28 AHR AHR AHR AHR AHR AHR 0.583333 0.857143
29 NAG BMA MAN MAN MAN MAN MAN MAN 0.573034 0.733333
30 BMA BMA MAN GLA GLA 0.571429 1
31 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.561798 0.733333
32 FUB AHR 0.559322 0.857143
33 AHR AHR 0.559322 0.857143
34 BMA MAN MAN MAN MAN 0.546667 1
35 NAG BMA MAN MAN MAN MAN MAN 0.544444 0.733333
36 BMA BMA GLA BMA BMA 0.540541 1
37 BMA BMA BMA GLA BMA 0.540541 1
38 GLC GLC GLC GLC 0.530303 1
39 GLC BGC BGC BGC BGC BGC BGC 0.530303 1
40 BGC BGC BGC BGC BGC BGC 0.530303 1
41 GLC GLC BGC 0.530303 1
42 BGC BGC BGC GLC BGC BGC 0.530303 1
43 GLC GLC GLC 0.530303 1
44 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.528736 0.825
45 1GN ACY GAL ACY 1GN BGC GAL BGC 0.528736 0.6875
46 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.528736 0.6875
47 NAG NAG BMA MAN MAN 0.52809 0.6875
48 M5G 0.525773 0.6875
49 GLA GLA 0.52381 1
50 MAN GLC 0.52381 1
51 GLA GAL 0.52381 1
52 M3M 0.52381 1
53 LB2 0.52381 1
54 GLC GLC 0.52381 1
55 GLC BGC 0.52381 1
56 NGR 0.52381 1
57 BMA NGT MAN MAN 0.523256 0.66
58 GLA GAL GAL 0.521739 1
59 GAL GAL SO4 0.513889 0.66
60 NAG BMA MAN MAN MAN MAN 0.511364 0.733333
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.493151 1
62 GAL MBG 0.484848 0.942857
63 M13 0.484848 0.942857
64 MDM 0.484848 0.942857
65 MAN MMA 0.484848 0.942857
66 WZ5 0.483516 0.702128
67 P3M 0.48 0.767442
68 GAL BGC 0.476923 1
69 BGC BMA 0.476923 1
70 GLC GAL 0.476923 1
71 N9S 0.476923 1
72 MAL 0.476923 1
73 CBK 0.476923 1
74 CBI 0.476923 1
75 B2G 0.476923 1
76 BMA GAL 0.476923 1
77 BGC GAL 0.476923 1
78 LAT 0.476923 1
79 MAB 0.476923 1
80 BMA BMA 0.476923 1
81 LBT 0.476923 1
82 BQZ 0.47541 0.909091
83 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.470588 0.6875
84 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.469388 0.673469
85 MAN MAN MAN GLC 0.466667 1
86 OPM MAN MAN 0.4625 0.804878
87 GAL BGC NAG NAG GAL GAL 0.462366 0.6875
88 BMA MAN MAN MAN 0.452055 1
89 MAN BMA BMA BMA BMA BMA 0.449275 1
90 BGC GLC GLC 0.449275 1
91 CE8 0.449275 1
92 MTT 0.449275 1
93 MAN BMA BMA 0.449275 1
94 GLC BGC GLC 0.449275 1
95 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.449275 1
96 BGC BGC BGC GLC 0.449275 1
97 BGC GLC GLC GLC GLC 0.449275 1
98 MAN BMA BMA BMA BMA 0.449275 1
99 MLR 0.449275 1
100 GLC GLC GLC GLC GLC 0.449275 1
101 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.449275 1
102 GLA GAL BGC 0.449275 1
103 B4G 0.449275 1
104 GLC BGC BGC BGC 0.449275 1
105 MAN MAN BMA BMA BMA BMA 0.449275 1
106 CTT 0.449275 1
107 BMA BMA BMA 0.449275 1
108 MT7 0.449275 1
109 GLC BGC BGC BGC BGC 0.449275 1
110 GLC BGC BGC BGC BGC BGC 0.449275 1
111 CE6 0.449275 1
112 BMA MAN BMA 0.449275 1
113 BGC BGC GLC 0.449275 1
114 BGC GLC GLC GLC 0.449275 1
115 GLC BGC BGC 0.449275 1
116 CEY 0.449275 1
117 CE5 0.449275 1
118 GLA GAL GLC 0.449275 1
119 GAL GAL GAL 0.449275 1
120 CTR 0.449275 1
121 BGC GLC GLC GLC GLC GLC GLC 0.449275 1
122 CT3 0.449275 1
123 BMA BMA BMA BMA BMA 0.449275 1
124 BGC BGC BGC 0.449275 1
125 DXI 0.449275 1
126 CEX 0.449275 1
127 BGC BGC BGC BGC 0.449275 1
128 GLC GAL GAL 0.449275 1
129 BMA BMA BMA BMA BMA BMA 0.449275 1
130 KDO MAN MAN MAN MAN MAN 0.446602 0.868421
131 NAG MAN MAN 0.440476 0.733333
132 BGC GLC 0.439394 1
133 2M4 0.439394 1
134 BMA MAN 0.439394 1
135 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.634615
136 GLC Z9N 0.430556 0.842105
137 SUC GLA GLA 0.43038 0.891892
138 STW 0.43038 0.891892
139 SUC GLA GLA GLA 0.43038 0.891892
140 MAN MAN MAN MAN MAN MAN MAN MAN 0.430108 0.846154
141 GAL FUC 0.428571 0.941176
142 CGC 0.424658 0.941176
143 TRE 0.423729 1
144 GAL BGC NAG GAL 0.423529 0.733333
145 6SA 0.423077 0.733333
146 GLA EGA 0.422535 0.942857
147 GAL BGC BGC XYS 0.421687 0.942857
148 NAG BMA MAN MAN NAG GAL NAG GAL 0.42 0.673469
149 NAG MAN MAN MAN NAG GAL NAG GAL 0.42 0.673469
150 MAN BMA NAG NAG MAN NAG GAL GAL 0.42 0.673469
151 MAN BMA NAG 0.419753 0.733333
152 GLA GAL NAG 0.419753 0.733333
153 NAG A2G GAL 0.418605 0.6875
154 RAF 0.417722 0.891892
155 GLA GLC FRU 0.417722 0.891892
156 BGC BGC XYS XYS GAL 0.417582 0.942857
157 BMA BMA MAN 0.416667 1
158 MAN MAN BMA 0.416667 1
159 IAB 0.414141 0.733333
160 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.413223 0.611111
161 BGC BGC XYS BGC 0.411765 0.942857
162 BMA Z4Y NAG 0.411111 0.717391
163 BGC BGC BGC BGC BGC BGC BGC 0.410959 1
164 MAN MNM 0.410959 0.702128
165 BGC BGC BGC BGC BGC 0.410959 1
166 NAG MAN BMA MAN NAG GAL 0.41 0.6875
167 BGC BGC BGC XYS BGC BGC 0.409091 0.942857
168 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.409091 0.942857
169 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.409091 0.942857
170 U63 0.408451 0.891892
171 XYT 0.407895 0.767442
172 FUC GAL GLA 0.402597 0.970588
173 GAL GAL FUC 0.402597 0.970588
174 GLA GAL FUC 0.402597 0.970588
175 FUC GLA GLA 0.402597 0.970588
176 GLA GLA FUC 0.402597 0.970588
177 BGC GAL NAG GAL 0.402299 0.733333
178 GAL NAG GAL GLC 0.402299 0.733333
179 T6P 0.4 0.767442
180 NAG MAN BMA NDG MAN NAG GAL 0.4 0.673469
181 BGC BGC XYS BGC XYS XYS GAL 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PHX; Ligand: 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: 2phx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PHX; Ligand: MAN 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: 2) in the query (biounit: 2phx.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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