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 B:1;
Valid;
none;
Kd = 0.565 uM
798.694 n/a O(CC1...
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 544 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - BMA GLA n/a n/a
3 2YG0 Kd = 3.44 mM BMA GLA 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 420 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - BMA GLA n/a n/a
3 2YG0 Kd = 3.44 mM BMA GLA 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 319 families.
1 2YFZ Kd = 0.565 uM BGC BGC BGC XYS GAL n/a n/a
2 2YB7 - BMA GLA n/a n/a
3 2YG0 Kd = 3.44 mM BMA GLA 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 GAL XYS XYS BGC BGC XYS BGC BGC 0.860759 1
6 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.860759 1
7 XYS GAL GLC BGC BGC XYS BGC XYS 0.860759 1
8 GLC BGC BGC XYS BGC XYS XYS GAL 0.860759 1
9 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.860759 1
10 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.860759 1
11 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.860759 1
12 GAL BGC BGC BGC XYS XYS 0.860759 1
13 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.860759 1
14 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.839506 1
15 BGC BGC XYS BGC XYS XYS GAL 0.8125 1
16 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.766234 1
17 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.766234 1
18 BGC BGC BGC XYS BGC BGC 0.766234 1
19 BGC BGC XYS XYS GAL 0.7625 1
20 BGC BGC XYS BGC XYS GAL 0.722892 0.972222
21 XYS BGC BGC XYS BGC BGC XYS 0.708861 1
22 XYS BGC BGC XYS BGC XYS BGC 0.708861 1
23 BGC BGC BGC XYS BGC XYS XYS 0.708861 1
24 BGC BGC XYS BGC XYS BGC XYS 0.708861 1
25 GLC BGC BGC XYS BGC XYS XYS 0.708861 1
26 BMA BMA BMA GLA BMA 0.68 0.942857
27 BMA BMA GLA BMA BMA 0.68 0.942857
28 BMA BMA MAN GLA GLA 0.648649 0.942857
29 BGC BGC XYS BGC 0.62963 1
30 GLC BGC BGC BGC BGC 0.6 0.942857
31 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.6 0.942857
32 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.6 0.942857
33 MAN BMA BMA 0.6 0.942857
34 GLC BGC BGC BGC 0.6 0.942857
35 BGC GLC GLC GLC GLC 0.6 0.942857
36 MAN BMA BMA BMA BMA 0.6 0.942857
37 BGC BGC BGC BGC 0.6 0.942857
38 BGC BGC BGC 0.6 0.942857
39 BMA BMA BMA BMA BMA 0.6 0.942857
40 BMA BMA BMA BMA BMA BMA 0.6 0.942857
41 DXI 0.6 0.942857
42 GAL GAL GAL 0.6 0.942857
43 GLC GAL GAL 0.6 0.942857
44 CTT 0.6 0.942857
45 CT3 0.6 0.942857
46 BGC GLC GLC GLC GLC GLC GLC 0.6 0.942857
47 MT7 0.6 0.942857
48 BGC GLC GLC 0.6 0.942857
49 GLC GLC GLC GLC GLC 0.6 0.942857
50 MTT 0.6 0.942857
51 GLC BGC BGC 0.6 0.942857
52 CTR 0.6 0.942857
53 CEY 0.6 0.942857
54 MAN MAN BMA BMA BMA BMA 0.6 0.942857
55 B4G 0.6 0.942857
56 CE5 0.6 0.942857
57 GLA GAL GLC 0.6 0.942857
58 CEX 0.6 0.942857
59 MAN BMA BMA BMA BMA BMA 0.6 0.942857
60 BMA BMA BMA 0.6 0.942857
61 BGC GLC GLC GLC 0.6 0.942857
62 BGC BGC BGC GLC 0.6 0.942857
63 GLA GAL BGC 0.6 0.942857
64 GLC BGC BGC BGC BGC BGC 0.6 0.942857
65 CE6 0.6 0.942857
66 BMA MAN BMA 0.6 0.942857
67 CE8 0.6 0.942857
68 GLC BGC GLC 0.6 0.942857
69 MLR 0.6 0.942857
70 BGC BGC GLC 0.6 0.942857
71 MAL 0.588235 0.942857
72 MAB 0.588235 0.942857
73 N9S 0.588235 0.942857
74 GLC GAL 0.588235 0.942857
75 GAL BGC 0.588235 0.942857
76 CBK 0.588235 0.942857
77 B2G 0.588235 0.942857
78 BGC GAL 0.588235 0.942857
79 BGC BMA 0.588235 0.942857
80 CBI 0.588235 0.942857
81 LAT 0.588235 0.942857
82 BMA GAL 0.588235 0.942857
83 LBT 0.588235 0.942857
84 BMA BMA 0.588235 0.942857
85 GLC GLC GLC BGC 0.5625 0.942857
86 BGC BGC 0.541667 0.916667
87 BGC BGC BGC BGC BGC BGC BGC BGC 0.531646 0.942857
88 GLA GAL GAL 0.519481 0.942857
89 NBG BGC BGC XYS BGC XYS XYS 0.505263 0.744681
90 ABD 0.48913 0.717391
91 XYT 0.469136 0.733333
92 LAT GLA 0.465753 0.942857
93 GLC GAL FUC 0.464286 0.916667
94 FUC GAL GLC 0.464286 0.916667
95 8B7 0.464286 0.916667
96 GLC GLC XYP 0.464286 0.942857
97 BGC GAL FUC 0.464286 0.916667
98 FUC GAL GLC BGC 0.464286 0.916667
99 LAT FUC 0.464286 0.916667
100 G2F BGC BGC BGC BGC BGC 0.457831 0.825
101 GLA EGA 0.448718 0.891892
102 GAL BGC NAG GAL 0.445652 0.702128
103 AHR XYS XYS 0.44186 0.918919
104 BMA BMA BMA BMA 0.440476 0.888889
105 BGC GLA GAL FUC 0.43956 0.916667
106 NGA GAL BGC 0.438202 0.702128
107 BMA MAN MAN MAN MAN 0.438202 0.942857
108 GAL NGA GLA BGC GAL 0.4375 0.702128
109 GAL FUC 0.435897 0.888889
110 GLC GLC G6D ACI GLC GLC GLC 0.435644 0.73913
111 MAN BMA MAN 0.433735 0.942857
112 MAN MAN MAN 0.433735 0.942857
113 AHR XYP XYP XYP 0.428571 0.918919
114 DR5 0.428571 0.891892
115 MMA MAN 0.428571 0.891892
116 GAL NAG GAL GLC 0.425532 0.702128
117 BGC GAL NAG GAL 0.425532 0.702128
118 MAL EDO 0.425 0.944444
119 GLC G6D ADH GLC 0.424242 0.73913
120 GLC G6D ACI GLC 0.424242 0.73913
121 GLC ACI G6D BGC 0.424242 0.73913
122 GLC ACI GLD GLC 0.424242 0.73913
123 GAL BGC NAG NAG GAL GAL 0.423077 0.66
124 BMA MAN MAN MAN 0.421687 0.942857
125 GLA GAL BGC 5VQ 0.421687 0.846154
126 GLA GAL 0.421053 0.942857
127 NGR 0.421053 0.942857
128 GLA GLA 0.421053 0.942857
129 LB2 0.421053 0.942857
130 GLC BGC 0.421053 0.942857
131 MAN GLC 0.421053 0.942857
132 GLC GLC 0.421053 0.942857
133 M3M 0.421053 0.942857
134 GLC GLC XYS 0.420455 0.916667
135 AAO 0.419048 0.702128
136 ARE 0.419048 0.702128
137 U63 0.417722 0.846154
138 GLC GAL NAG GAL 0.416667 0.702128
139 LAT NAG GAL 0.416667 0.702128
140 GLO BGC BGC XYS BGC XYS XYS 0.415094 0.972222
141 G3I 0.413793 0.813953
142 OXZ BGC BGC 0.413793 0.729167
143 G2I 0.413793 0.813953
144 DEL 0.4125 0.971429
145 NGA GLA GAL BGC 0.412371 0.702128
146 MAN MAN MAN BMA MAN 0.408602 0.942857
147 FUC BGC GAL 0.406977 0.916667
148 GLA GAL GLC NBU 0.406977 0.804878
149 FUC GLC BGC GAL 0.406977 0.916667
150 GLC GLC ACI G6D GLC GLC 0.40566 0.673469
151 GLC GLC AGL HMC GLC 0.40566 0.673469
152 ACR GLC GLC GLC 0.40566 0.673469
153 GLC GLC DAF BGC 0.40566 0.673469
154 5GO 0.404762 0.634615
155 M5S 0.404494 0.942857
156 MAN BMA MAN MAN MAN 0.404494 0.942857
157 GAL NAG GAL BGC 0.40404 0.708333
158 MAN MAN MAN MAN MAN MAN MAN 0.402062 0.942857
159 LAG 0.4 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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