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Receptor
PDB id Resolution Class Description Source Keywords
3ALT 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CEL-IV COMPLEXED WITH MELIBIOSE CUCUMARIA ECHINATA CEL-IV C-TYPE LECTIN MELIBIOSE SUGAR BINDING PROTEIN
Ref.: GALACTOSE RECOGNITION BY A TETRAMERIC C-TYPE LECTIN CONTAINING THE EPN CARBOHYDRATE RECOGNITION MOTIF J.BIOL.CHEM. V. 286 10305 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
B:201;
C:201;
D:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MLB A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ka = 330 M^-1
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ALT 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CEL-IV COMPLEXED WITH MELIBIOSE CUCUMARIA ECHINATA CEL-IV C-TYPE LECTIN MELIBIOSE SUGAR BINDING PROTEIN
Ref.: GALACTOSE RECOGNITION BY A TETRAMERIC C-TYPE LECTIN CONTAINING THE EPN CARBOHYDRATE RECOGNITION MOTIF J.BIOL.CHEM. V. 286 10305 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3ALU - RAF C18 H32 O16 C([C@@H]1[....
2 3ALT Ka = 330 M^-1 MLB C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3ALU - RAF C18 H32 O16 C([C@@H]1[....
2 3ALT Ka = 330 M^-1 MLB C12 H22 O11 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3ALU - RAF C18 H32 O16 C([C@@H]1[....
2 3ALT Ka = 330 M^-1 MLB C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLB; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 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 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ALT; Ligand: MLB; Similar sites found with APoc: 70
This union binding pocket(no: 1) in the query (biounit: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKI FMN None
2 2NSJ C2R None
3 5ETR 5RW 1.27389
4 5ETR APC 1.27389
5 3DER ALA LYS 1.91083
6 3C8Z 5CA 1.91083
7 4AUA 4AU 1.91083
8 5U83 ZN8 2.54777
9 1TMM APC 2.54777
10 4KBS PX2 2.54777
11 4EWH T77 2.54777
12 1NVM NAD 2.54777
13 6B04 C6J 2.54777
14 4N65 FMN 2.54777
15 1TKK ALA GLU 2.54777
16 4AU7 SAH 2.54777
17 2ZPA ADP 2.54777
18 5ZCT ANP 3.18471
19 3ZIU LSS 3.18471
20 1TMO 2MD 3.18471
21 1IIM TTP 3.82166
22 1H5T DAU 3.82166
23 1H5R THM 3.82166
24 1DUB CAA 3.82166
25 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 3.82166
26 5T8O 76Z 4.4586
27 6GCB GSH 4.4586
28 3FPF TNA 4.4586
29 3FPF MTA 4.4586
30 3SUD SUE 5.09554
31 6G96 ACO 5.73248
32 4GAH 0ET 5.73248
33 1E2K TMC 5.73248
34 6FCX FAD 5.73248
35 3EPW JMQ 7.00637
36 1P7T ACO 7.00637
37 1NMK SFM 7.00637
38 5K2M ADP 7.64331
39 3GFB NAD 7.64331
40 4L9Z COA 7.64331
41 3S6X SIA GAL BGC 7.64331
42 4PL9 ADP 8.28025
43 1OJ7 NZQ 8.28025
44 4PXE GLV 8.9172
45 4DQ2 BTX 10.1911
46 1RE0 AFB 10.1911
47 3EAU NDP 10.828
48 3EAU PDN 10.828
49 1EXB NDP 10.828
50 2VZ0 D64 10.828
51 2VZ0 NAP 10.828
52 3E7O 35F 10.828
53 4GLL NAD 12.1019
54 3V2U GLA 12.1019
55 3EEL 53T 12.1019
56 3R5Y F42 12.9252
57 2QX0 APC 13.3758
58 2D4V NAD 14.6497
59 1G1T SIA GAL MAG FUC 21.6561
60 2WOX NDP 21.6561
61 5B4B LP5 22.9299
62 1PWB GLC 24.2038
63 1PWB GLC GLC 24.2038
64 2GGX NPJ 24.2038
65 4DN8 BMA 25.641
66 4JTA NAP 27.027
67 5G6U YJM 29.2994
68 3PAK MAN 30.4054
69 5KTI TRE 6X6 35.5705
70 5JQ1 ZPF 35.8621
Pocket No.: 2; Query (leader) PDB : 3ALT; Ligand: MLB; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4CTA ATP 2.54777
2 6ASZ GLN THR ALA ARG M3L SER 2.89855
3 3H7R NAP 3.18471
4 5ZFJ 9BF 3.82166
5 4UOZ GLA 3.82166
6 4UCF GLA 4.4586
7 6B5G NAD 5.09554
8 6B5G CQY 5.09554
9 4Q6R 30J 5.73248
10 1B09 PC 6.36943
11 5EQ0 5R0 PHE ALA LEU ELY 5R5 7.27273
12 1O9J NAD 12.1019
13 4I54 1C1 16.5605
Pocket No.: 3; Query (leader) PDB : 3ALT; Ligand: MLB; Similar sites found with APoc: 13
This union binding pocket(no: 3) in the query (biounit: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3JZ4 NAP 2.54777
2 3B1Q NOS 2.54777
3 3VPB ADP 4.4586
4 4J7H TLO 4.4586
5 2PZI AXX 5.09554
6 5JCA FAD 5.73248
7 4AVV GHE 6.36943
8 4AVV CD 6.36943
9 1F28 F89 7.00637
10 1KYV RBF 7.64331
11 6A8H AHR AHR AHR 11.465
12 4GYW UDP 12.1019
13 1TI7 NAP 19.7452
Pocket No.: 4; Query (leader) PDB : 3ALT; Ligand: MLB; Similar sites found with APoc: 9
This union binding pocket(no: 4) in the query (biounit: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKI NFZ None
2 1TMM HHR 2.54777
3 1WN3 HXC 3.67647
4 5L9O GOP 5.09554
5 1BVY FMN 7.00637
6 3RUG DB6 8.28025
7 1OBV FMN 8.28025
8 2JAR UMP 9.55414
9 1O97 FAD 14.0127
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