Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC XYS GAL A:1143;
Valid;
none;
Kd = 0.565 uM
798.694 n/a O(C1O...
CA A:1141;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1142;
Invalid;
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: BGC BGC BGC XYS GAL; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS GAL 1 1
2 GAL BGC BGC BGC XYS BGC XYS 0.906667 1
3 BGC BGC BGC XYS BGC XYS GAL 0.906667 1
4 GAL BGC BGC XYS 0.884058 1
5 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.860759 1
6 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.860759 1
7 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.860759 1
8 GLC BGC BGC XYS BGC XYS XYS GAL 0.860759 1
9 GAL BGC BGC BGC XYS XYS 0.860759 1
10 GLC GLC BGC XYS BGC XYS 0.786667 1
11 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.766234 1
12 BGC BGC BGC XYS BGC BGC 0.766234 1
13 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.766234 1
14 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.722892 0.972222
15 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.722892 0.972222
16 BGC BGC XYS BGC XYS GAL 0.722892 0.972222
17 BGC BGC XYS BGC XYS BGC XYS 0.708861 1
18 GLC BGC BGC XYS BGC XYS XYS 0.708861 1
19 BGC BGC BGC XYS BGC XYS XYS 0.708861 1
20 GLC BGC BGC BGC XYS BGC XYS XYS 0.686747 0.972222
21 BMA BMA GLA BMA BMA 0.68 0.942857
22 BGC BGC XYS BGC 0.62963 1
23 MLR 0.6 0.942857
24 CEY 0.6 0.942857
25 GAL GAL GAL 0.6 0.942857
26 BGC GLC GLC GLC GLC GLC GLC 0.6 0.942857
27 CE8 0.6 0.942857
28 GLC BGC BGC BGC BGC 0.6 0.942857
29 BGC GLC GLC GLC 0.6 0.942857
30 MT7 0.6 0.942857
31 BMA MAN BMA 0.6 0.942857
32 MTT 0.6 0.942857
33 GLA GAL GLC 0.6 0.942857
34 CE5 0.6 0.942857
35 CE6 0.6 0.942857
36 CTR 0.6 0.942857
37 GLC GLC GLC GLC GLC GLC GLC GLC 0.6 0.942857
38 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.6 0.942857
39 BGC BGC BGC BGC BGC BGC 0.6 0.942857
40 GLC BGC BGC 0.6 0.942857
41 BMA BMA BMA BMA BMA BMA 0.6 0.942857
42 BGC GLC GLC 0.6 0.942857
43 DXI 0.6 0.942857
44 GLC GLC BGC 0.6 0.942857
45 BGC BGC BGC GLC 0.6 0.942857
46 GLC BGC BGC BGC BGC BGC 0.6 0.942857
47 GLC GAL GAL 0.6 0.942857
48 GLC BGC GLC 0.6 0.942857
49 CTT 0.6 0.942857
50 MAN BMA BMA BMA BMA 0.6 0.942857
51 GLC GLC BGC GLC GLC GLC GLC 0.6 0.942857
52 MAN MAN BMA BMA BMA BMA 0.6 0.942857
53 MAN BMA BMA 0.6 0.942857
54 GLC GLC GLC GLC GLC GLC GLC 0.6 0.942857
55 B4G 0.6 0.942857
56 BGC GLC GLC GLC GLC 0.6 0.942857
57 BMA BMA BMA BMA BMA 0.6 0.942857
58 CEX 0.6 0.942857
59 GLC GLC GLC GLC GLC 0.6 0.942857
60 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.6 0.942857
61 BMA BMA BMA 0.6 0.942857
62 CT3 0.6 0.942857
63 LAT 0.588235 0.942857
64 MAL 0.588235 0.942857
65 LBT 0.588235 0.942857
66 BGC BMA 0.588235 0.942857
67 GLC GAL 0.588235 0.942857
68 GLC BGC 0.588235 0.942857
69 BGC GAL 0.588235 0.942857
70 BMA BMA 0.588235 0.942857
71 CBK 0.588235 0.942857
72 MAB 0.588235 0.942857
73 GAL GLC 0.588235 0.942857
74 GAL BGC 0.588235 0.942857
75 BMA GAL 0.588235 0.942857
76 GLA GLA 0.588235 0.942857
77 MAL MAL 0.588235 0.916667
78 CBI 0.588235 0.942857
79 BGC GLC 0.588235 0.942857
80 B2G 0.588235 0.942857
81 N9S 0.588235 0.942857
82 GLA GAL 0.588235 0.942857
83 BMA BMA BMA BMA BMA BMA MAN 0.567568 0.916667
84 MAN BMA BMA BMA BMA BMA 0.567568 0.916667
85 GLC GLC GLC BGC 0.5625 0.942857
86 GLC GLC XYS XYS 0.5625 0.971429
87 BMA MAN 0.541667 0.916667
88 BGC BGC BGC BGC 0.531646 0.942857
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.531646 0.942857
90 GLA GAL BGC 0.519481 0.942857
91 GLA GAL GAL 0.519481 0.942857
92 GLC GLC GLC GLC GLC GLC 0.518519 0.942857
93 NBG BGC BGC XYS BGC XYS XYS 0.505263 0.744681
94 BMA BMA BMA BMA GLA BMA GLA 0.50505 0.85
95 ABD 0.48913 0.717391
96 BGC BGC GLC 0.487179 0.942857
97 LAT GLA 0.465753 0.942857
98 FUC GAL GLC 0.464286 0.916667
99 GLC GAL FUC 0.464286 0.916667
100 GLC GLC XYP 0.464286 0.942857
101 FUC LAT 0.464286 0.916667
102 BGC GAL FUC 0.464286 0.916667
103 LAT FUC 0.464286 0.916667
104 G2F BGC BGC BGC BGC BGC 0.457831 0.825
105 GLC GLC G6D ACI GLC GLC GLC 0.45 0.75
106 GLA EGA 0.448718 0.891892
107 GAL BGC NAG GAL 0.445652 0.702128
108 AHR XYS XYS 0.44186 0.918919
109 BGC GLA GAL FUC 0.43956 0.916667
110 GLC G6D ACI GLC 0.438776 0.75
111 GLC ACI GLD GLC 0.438776 0.75
112 GLC G6D ADH GLC 0.438776 0.75
113 GLC ACI G6D BGC 0.438776 0.75
114 NGA GAL BGC 0.438202 0.702128
115 GAL NGA GLA BGC GAL 0.4375 0.702128
116 GAL FUC 0.435897 0.888889
117 DR5 0.428571 0.891892
118 MMA MAN 0.428571 0.891892
119 AHR XYP XYP XYP 0.428571 0.918919
120 GLC GLC GLC G6D ADH GLC 0.428571 0.693878
121 GLC AGL GLC HMC 0.427184 0.6875
122 BMA MAN MAN 0.426829 0.942857
123 BGC GAL NAG GAL 0.425532 0.702128
124 LAT NAG GAL 0.425532 0.702128
125 GAL NAG GAL BGC 0.425532 0.702128
126 MAL EDO 0.425 0.944444
127 GLA GAL BGC 5VQ 0.421687 0.846154
128 M3M 0.421053 0.942857
129 LB2 0.421053 0.942857
130 MAN GLC 0.421053 0.942857
131 GLC GLC XYS 0.420455 0.916667
132 BGC BGC G2F SHG 0.419355 0.804878
133 AAO 0.419048 0.702128
134 GLC GLC DAF BGC 0.419048 0.702128
135 ACR GLC GLC GLC 0.419048 0.702128
136 ARE 0.419048 0.702128
137 GLC GLC AGL HMC GLC 0.419048 0.702128
138 GLC GLC ACI G6D GLC GLC 0.419048 0.702128
139 U63 0.417722 0.846154
140 GLC GAL NAG GAL 0.416667 0.702128
141 GLO BGC BGC XYS BGC XYS XYS 0.415094 0.972222
142 G3I 0.413793 0.813953
143 G2I 0.413793 0.813953
144 OXZ BGC BGC 0.413793 0.729167
145 GLC GLC FRU 0.413043 0.871795
146 DEL 0.4125 0.971429
147 NGA GLA GAL BGC 0.412371 0.702128
148 GAL GAL SO4 0.411765 0.673469
149 MAN MAN MAN BMA MAN 0.408602 0.942857
150 GLC ACI G6D GLC 0.407767 0.702128
151 GLC ACI GLD GAL 0.407767 0.702128
152 GLC GLC GLC GLC 0.406977 0.942857
153 FUC BGC GAL 0.406977 0.916667
154 GLA GAL GLC NBU 0.406977 0.804878
155 5GO 0.404762 0.634615
156 MAN BMA MAN MAN MAN 0.404494 0.942857
157 M5S 0.404494 0.942857
158 BMA BMA MAN 0.4 0.916667
159 LAG 0.4 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
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