Receptor
PDB id Resolution Class Description Source Keywords
2YB7 1.7 Å NON-ENZYME: BINDING CBM62 IN COMPLEX WITH 6-ALPHA-D-GALACTOSYL-MANNOTRIOSE CLOSTRIDIUM THERMOCELLUM SUGAR BINDING PROTEIN CARBOHYDRATE CARBOHYDRATE BINDING MO
Ref.: A NOVEL, NONCATALYTIC CARBOHYDRATE-BINDING MODULE D SPECIFICITY FOR GALACTOSE-CONTAINING POLYSACCHARIDE CALCIUM-MEDIATED OLIGOMERIZATION. J.BIOL.CHEM. V. 286 22499 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA GLA B:1881;
Valid;
none;
submit data
342.297 n/a O1C(O...
CA A:1880;
B:1879;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLA BMA A:1881;
Valid;
none;
submit data
342.297 n/a O1C(O...
GOL A:1879;
B:1880;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YFZ 1.8 Å NON-ENZYME: BINDING CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A CLOSTRIDIUM THERMOCELLUM SUGAR BINDING PROTEIN
Ref.: A NOVEL, NONCATALYTIC CARBOHYDRATE-BINDING MODULE D SPECIFICITY FOR GALACTOSE-CONTAINING POLYSACCHARIDE THROUGH CALCIUM-MEDIATED OLIGOMERIZATION. J.BIOL.CHEM. V. 286 22499 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - GLA BMA n/a n/a
3 2YG0 Kd = 3.44 mM GLA BMA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - GLA BMA n/a n/a
3 2YG0 Kd = 3.44 mM GLA BMA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - GLA BMA n/a n/a
3 2YG0 Kd = 3.44 mM GLA BMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BMA GLA; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 MLB 1 1
2 BMA GLA 1 1
3 GLA GLC 1 1
4 GLA BMA 1 1
5 MAN BMA 1 1
6 BGC GLA 1 1
7 GAL GAL 1 1
8 LAK 1 1
9 GLA BGC 1 1
10 GLC GLC GLC GLC BGC 0.953488 1
11 GLC GLC GLC GLC GLC BGC 0.953488 1
12 MAN MAN MAN 0.953488 1
13 GLC GLC GLC 0.953488 1
14 AHR AHR 0.75 0.857143
15 FUB AHR 0.75 0.857143
16 MAN MAN BMA MAN 0.732143 1
17 MAN MAN MAN MAN 0.732143 1
18 FUB AHR AHR 0.702128 0.857143
19 AHR AHR AHR 0.702128 0.857143
20 GLC GLC GLC GLC GLC GLC 0.684211 1
21 GLC GLC GLC GLC 0.678571 1
22 MAN MMA 0.66 0.942857
23 GLC GLC GLC BGC 0.633333 1
24 M5S 0.606557 1
25 MAN BMA MAN MAN MAN 0.606557 1
26 MAN MAN MAN BMA MAN 0.575758 1
27 BMA BMA GLA BMA BMA 0.546875 1
28 MAN MMA MAN 0.540984 0.942857
29 FRU GLC GLA 0.515625 0.891892
30 RAF 0.515625 0.891892
31 MAN 0.511628 0.848485
32 WOO 0.511628 0.848485
33 GAL 0.511628 0.848485
34 BMA 0.511628 0.848485
35 GLC 0.511628 0.848485
36 ALL 0.511628 0.848485
37 GLA 0.511628 0.848485
38 GXL 0.511628 0.848485
39 GIV 0.511628 0.848485
40 BGC 0.511628 0.848485
41 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
42 MAN H1M MAN 0.492537 0.868421
43 BMA BMA MAN 0.491228 0.970588
44 NGB 0.485294 0.622642
45 4CQ 0.483871 0.970588
46 WZ2 0.477612 0.868421
47 GAL GLC 0.472727 1
48 LAT 0.472727 1
49 BGC GLC 0.472727 1
50 MAL 0.472727 1
51 LBT 0.472727 1
52 CBI 0.472727 1
53 GLA GLA 0.472727 1
54 B2G 0.472727 1
55 BGC GAL 0.472727 1
56 BMA GAL 0.472727 1
57 GLC BGC 0.472727 1
58 GLA GAL 0.472727 1
59 N9S 0.472727 1
60 BMA BMA 0.472727 1
61 MAL MAL 0.472727 0.970588
62 BGC BMA 0.472727 1
63 GAL BGC 0.472727 1
64 GLC GAL 0.472727 1
65 CBK 0.472727 1
66 MAB 0.472727 1
67 NAG MAN BMA 0.472222 0.733333
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 WZ3 0.463768 0.916667
72 DEG 0.462963 0.769231
73 BMA BMA BMA BMA BMA BMA MAN 0.459016 0.970588
74 MAN BMA BMA BMA BMA BMA 0.459016 0.970588
75 NOJ BGC 0.459016 0.727273
76 DMJ MAN 0.459016 0.727273
77 IFM MAN 0.451613 0.744186
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 A6P 0.45098 0.674419
81 M6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 M6D 0.45098 0.674419
84 EBQ 0.446429 0.837838
85 MAN GLC 0.446429 1
86 M3M 0.446429 1
87 EBG 0.446429 0.837838
88 LB2 0.446429 1
89 CTR 0.440678 1
90 B4G 0.440678 1
91 GLC GAL GAL 0.440678 1
92 CT3 0.440678 1
93 MAN MAN BMA BMA BMA BMA 0.440678 1
94 GLC GLC GLC GLC GLC 0.440678 1
95 GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
96 GLC GLC BGC GLC GLC GLC GLC 0.440678 1
97 BGC GLC GLC GLC GLC 0.440678 1
98 MT7 0.440678 1
99 MAN BMA BMA BMA BMA 0.440678 1
100 GLC BGC BGC 0.440678 1
101 CEY 0.440678 1
102 BMA BMA BMA 0.440678 1
103 BMA BMA BMA BMA BMA 0.440678 1
104 CTT 0.440678 1
105 DXI 0.440678 1
106 MLR 0.440678 1
107 GLC BGC GLC 0.440678 1
108 GLC BGC BGC BGC BGC BGC 0.440678 1
109 CEX 0.440678 1
110 BGC GLC GLC 0.440678 1
111 GLC GLC GLC GLC GLC GLC GLC 0.440678 1
112 GLC BGC BGC BGC BGC 0.440678 1
113 MTT 0.440678 1
114 CE6 0.440678 1
115 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
116 BMA MAN BMA 0.440678 1
117 BGC BGC BGC BGC BGC BGC 0.440678 1
118 CE5 0.440678 1
119 MAN BMA BMA 0.440678 1
120 GAL GAL GAL 0.440678 1
121 BMA BMA BMA BMA BMA BMA 0.440678 1
122 GLA GAL GLC 0.440678 1
123 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
124 GLC GLC BGC 0.440678 1
125 BGC BGC BGC GLC 0.440678 1
126 BGC GLC GLC GLC 0.440678 1
127 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
128 CE8 0.440678 1
129 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
130 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
131 JZR 0.438596 0.714286
132 GLC HEX 0.438596 0.714286
133 BHG 0.438596 0.714286
134 HEX GLC 0.438596 0.714286
135 TRE 0.4375 1
136 NAG BMA MAN MAN MAN MAN 0.4375 0.733333
137 KGM 0.431034 0.738095
138 B7G 0.431034 0.738095
139 GAL GAL SO4 0.430769 0.702128
140 GLC BGC BGC BGC XYS BGC XYS XYS 0.43038 0.916667
141 MBG 0.428571 0.857143
142 MMA 0.428571 0.857143
143 GYP 0.428571 0.857143
144 2M4 0.428571 1
145 BGC BGC 0.428571 1
146 MAN MAN 0.428571 1
147 AMG 0.428571 0.857143
148 HSJ 0.423729 0.738095
149 BNG 0.423729 0.738095
150 BOG 0.423729 0.738095
151 SER MAN 0.423729 0.775
152 G1P 0.423077 0.697674
153 GL1 0.423077 0.697674
154 M1P 0.423077 0.697674
155 XGP 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 6SA 0.414894 0.733333
159 GAL BGC NAG GAL 0.413333 0.733333
160 GAL BGC BGC XYS 0.410959 0.942857
161 BGC BGC BGC ASO BGC BGC ASO 0.409836 1
162 BGC BGC BGC 0.409836 1
163 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 GLC BGC BGC BGC 0.409836 1
168 DGD 0.409639 0.733333
169 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
170 GLC GLC BGC XYS BGC XYS 0.407895 0.942857
171 MAN MAN NAG MAN NAG 0.406977 0.6875
172 NAG NAG BMA MAN MAN 0.406977 0.6875
173 T6P 0.40678 0.767442
174 EDG AHR 0.40678 0.617021
175 BMA MAN MAN 0.40625 1
176 GLA GAL BGC 0.40625 1
177 GLA GAL GAL 0.40625 1
178 IAB 0.404494 0.733333
179 MAN MAN BMA 0.403226 1
180 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
181 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
182 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
183 GLC GLC XYS XYS 0.4 0.914286
Ligand no: 2; Ligand: GLA BMA; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 MLB 1 1
2 BMA GLA 1 1
3 GLA GLC 1 1
4 GLA BMA 1 1
5 MAN BMA 1 1
6 BGC GLA 1 1
7 GAL GAL 1 1
8 LAK 1 1
9 GLA BGC 1 1
10 GLC GLC GLC GLC BGC 0.953488 1
11 GLC GLC GLC GLC GLC BGC 0.953488 1
12 MAN MAN MAN 0.953488 1
13 GLC GLC GLC 0.953488 1
14 AHR AHR 0.75 0.857143
15 FUB AHR 0.75 0.857143
16 MAN MAN BMA MAN 0.732143 1
17 MAN MAN MAN MAN 0.732143 1
18 FUB AHR AHR 0.702128 0.857143
19 AHR AHR AHR 0.702128 0.857143
20 GLC GLC GLC GLC GLC GLC 0.684211 1
21 GLC GLC GLC GLC 0.678571 1
22 MAN MMA 0.66 0.942857
23 GLC GLC GLC BGC 0.633333 1
24 M5S 0.606557 1
25 MAN BMA MAN MAN MAN 0.606557 1
26 MAN MAN MAN BMA MAN 0.575758 1
27 BMA BMA GLA BMA BMA 0.546875 1
28 MAN MMA MAN 0.540984 0.942857
29 FRU GLC GLA 0.515625 0.891892
30 RAF 0.515625 0.891892
31 MAN 0.511628 0.848485
32 WOO 0.511628 0.848485
33 GAL 0.511628 0.848485
34 BMA 0.511628 0.848485
35 GLC 0.511628 0.848485
36 ALL 0.511628 0.848485
37 GLA 0.511628 0.848485
38 GXL 0.511628 0.848485
39 GIV 0.511628 0.848485
40 BGC 0.511628 0.848485
41 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
42 MAN H1M MAN 0.492537 0.868421
43 BMA BMA MAN 0.491228 0.970588
44 NGB 0.485294 0.622642
45 4CQ 0.483871 0.970588
46 WZ2 0.477612 0.868421
47 GAL GLC 0.472727 1
48 LAT 0.472727 1
49 BGC GLC 0.472727 1
50 MAL 0.472727 1
51 LBT 0.472727 1
52 CBI 0.472727 1
53 GLA GLA 0.472727 1
54 B2G 0.472727 1
55 BGC GAL 0.472727 1
56 BMA GAL 0.472727 1
57 GLC BGC 0.472727 1
58 GLA GAL 0.472727 1
59 N9S 0.472727 1
60 BMA BMA 0.472727 1
61 MAL MAL 0.472727 0.970588
62 BGC BMA 0.472727 1
63 GAL BGC 0.472727 1
64 GLC GAL 0.472727 1
65 CBK 0.472727 1
66 MAB 0.472727 1
67 NAG MAN BMA 0.472222 0.733333
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 WZ3 0.463768 0.916667
72 DEG 0.462963 0.769231
73 BMA BMA BMA BMA BMA BMA MAN 0.459016 0.970588
74 MAN BMA BMA BMA BMA BMA 0.459016 0.970588
75 NOJ BGC 0.459016 0.727273
76 DMJ MAN 0.459016 0.727273
77 IFM MAN 0.451613 0.744186
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 A6P 0.45098 0.674419
81 M6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 M6D 0.45098 0.674419
84 EBQ 0.446429 0.837838
85 MAN GLC 0.446429 1
86 M3M 0.446429 1
87 EBG 0.446429 0.837838
88 LB2 0.446429 1
89 CTR 0.440678 1
90 B4G 0.440678 1
91 GLC GAL GAL 0.440678 1
92 CT3 0.440678 1
93 MAN MAN BMA BMA BMA BMA 0.440678 1
94 GLC GLC GLC GLC GLC 0.440678 1
95 GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
96 GLC GLC BGC GLC GLC GLC GLC 0.440678 1
97 BGC GLC GLC GLC GLC 0.440678 1
98 MT7 0.440678 1
99 MAN BMA BMA BMA BMA 0.440678 1
100 GLC BGC BGC 0.440678 1
101 CEY 0.440678 1
102 BMA BMA BMA 0.440678 1
103 BMA BMA BMA BMA BMA 0.440678 1
104 CTT 0.440678 1
105 DXI 0.440678 1
106 MLR 0.440678 1
107 GLC BGC GLC 0.440678 1
108 GLC BGC BGC BGC BGC BGC 0.440678 1
109 CEX 0.440678 1
110 BGC GLC GLC 0.440678 1
111 GLC GLC GLC GLC GLC GLC GLC 0.440678 1
112 GLC BGC BGC BGC BGC 0.440678 1
113 MTT 0.440678 1
114 CE6 0.440678 1
115 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
116 BMA MAN BMA 0.440678 1
117 BGC BGC BGC BGC BGC BGC 0.440678 1
118 CE5 0.440678 1
119 MAN BMA BMA 0.440678 1
120 GAL GAL GAL 0.440678 1
121 BMA BMA BMA BMA BMA BMA 0.440678 1
122 GLA GAL GLC 0.440678 1
123 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
124 GLC GLC BGC 0.440678 1
125 BGC BGC BGC GLC 0.440678 1
126 BGC GLC GLC GLC 0.440678 1
127 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
128 CE8 0.440678 1
129 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
130 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
131 JZR 0.438596 0.714286
132 GLC HEX 0.438596 0.714286
133 BHG 0.438596 0.714286
134 HEX GLC 0.438596 0.714286
135 TRE 0.4375 1
136 NAG BMA MAN MAN MAN MAN 0.4375 0.733333
137 KGM 0.431034 0.738095
138 B7G 0.431034 0.738095
139 GAL GAL SO4 0.430769 0.702128
140 GLC BGC BGC BGC XYS BGC XYS XYS 0.43038 0.916667
141 MBG 0.428571 0.857143
142 MMA 0.428571 0.857143
143 GYP 0.428571 0.857143
144 2M4 0.428571 1
145 BGC BGC 0.428571 1
146 MAN MAN 0.428571 1
147 AMG 0.428571 0.857143
148 HSJ 0.423729 0.738095
149 BNG 0.423729 0.738095
150 BOG 0.423729 0.738095
151 SER MAN 0.423729 0.775
152 G1P 0.423077 0.697674
153 GL1 0.423077 0.697674
154 M1P 0.423077 0.697674
155 XGP 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 6SA 0.414894 0.733333
159 GAL BGC NAG GAL 0.413333 0.733333
160 GAL BGC BGC XYS 0.410959 0.942857
161 BGC BGC BGC ASO BGC BGC ASO 0.409836 1
162 BGC BGC BGC 0.409836 1
163 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 GLC BGC BGC BGC 0.409836 1
168 DGD 0.409639 0.733333
169 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
170 GLC GLC BGC XYS BGC XYS 0.407895 0.942857
171 MAN MAN NAG MAN NAG 0.406977 0.6875
172 NAG NAG BMA MAN MAN 0.406977 0.6875
173 T6P 0.40678 0.767442
174 EDG AHR 0.40678 0.617021
175 BMA MAN MAN 0.40625 1
176 GLA GAL BGC 0.40625 1
177 GLA GAL GAL 0.40625 1
178 IAB 0.404494 0.733333
179 MAN MAN BMA 0.403226 1
180 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
181 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
182 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
183 GLC GLC XYS XYS 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
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