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(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 510 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 391 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 298 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: 145
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 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.860759 1
6 GAL BGC BGC BGC XYS XYS 0.860759 1
7 GLC BGC BGC XYS BGC XYS XYS GAL 0.860759 1
8 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.860759 1
9 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.860759 1
10 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.766234 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 BGC BGC XYS BGC XYS GAL 0.722892 0.972222
14 BGC BGC XYS BGC XYS BGC XYS 0.708861 1
15 BGC BGC BGC XYS BGC XYS XYS 0.708861 1
16 GLC BGC BGC XYS BGC XYS XYS 0.708861 1
17 BMA BMA GLA BMA BMA 0.68 0.942857
18 BGC BGC XYS BGC 0.62963 1
19 MLR 0.6 0.942857
20 GAL GAL GAL 0.6 0.942857
21 DXI 0.6 0.942857
22 CEY 0.6 0.942857
23 BMA BMA BMA BMA BMA BMA 0.6 0.942857
24 BMA BMA BMA BMA BMA 0.6 0.942857
25 BGC GLC GLC GLC 0.6 0.942857
26 MAN BMA BMA BMA BMA 0.6 0.942857
27 MAN MAN BMA BMA BMA BMA 0.6 0.942857
28 BGC BGC BGC BGC 0.6 0.942857
29 GLC BGC GLC 0.6 0.942857
30 GLC GLC BGC 0.6 0.942857
31 GLC BGC BGC BGC BGC 0.6 0.942857
32 MAN BMA BMA BMA BMA BMA 0.6 0.942857
33 BGC BGC BGC BGC BGC BGC 0.6 0.942857
34 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.6 0.942857
35 CT3 0.6 0.942857
36 GLA GAL GLC 0.6 0.942857
37 MAN BMA BMA 0.6 0.942857
38 CE8 0.6 0.942857
39 B4G 0.6 0.942857
40 GLC BGC BGC 0.6 0.942857
41 BGC GLC GLC GLC GLC 0.6 0.942857
42 CTT 0.6 0.942857
43 MTT 0.6 0.942857
44 GLA GAL BGC 0.6 0.942857
45 GLC BGC BGC BGC BGC BGC 0.6 0.942857
46 CEX 0.6 0.942857
47 GLC GAL GAL 0.6 0.942857
48 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.6 0.942857
49 BGC GLC GLC GLC GLC GLC GLC 0.6 0.942857
50 BMA MAN BMA 0.6 0.942857
51 BGC BGC BGC 0.6 0.942857
52 GLC GLC GLC GLC GLC 0.6 0.942857
53 CE6 0.6 0.942857
54 MT7 0.6 0.942857
55 CE5 0.6 0.942857
56 GLC BGC BGC BGC 0.6 0.942857
57 CTR 0.6 0.942857
58 BMA BMA BMA 0.6 0.942857
59 BGC BGC BGC GLC 0.6 0.942857
60 BGC GLC GLC 0.6 0.942857
61 BGC BGC BGC BGC BGC 0.6 0.942857
62 BGC BGC GLC 0.6 0.942857
63 GLA GLA 0.588235 0.942857
64 MAL 0.588235 0.942857
65 BGC GAL 0.588235 0.942857
66 MAB 0.588235 0.942857
67 BGC BMA 0.588235 0.942857
68 GLA GAL 0.588235 0.942857
69 GLC GAL 0.588235 0.942857
70 N9S 0.588235 0.942857
71 LBT 0.588235 0.942857
72 CBK 0.588235 0.942857
73 BMA GAL 0.588235 0.942857
74 GAL BGC 0.588235 0.942857
75 B2G 0.588235 0.942857
76 CBI 0.588235 0.942857
77 LAT 0.588235 0.942857
78 GLC GLC GLC BGC 0.5625 0.942857
79 BGC BGC 0.541667 0.916667
80 BMA BMA 0.541667 0.916667
81 BGC BGC BGC BGC BGC BGC BGC BGC 0.531646 0.942857
82 GLA GAL GAL 0.519481 0.942857
83 NBG BGC BGC XYS BGC XYS XYS 0.505263 0.744681
84 ABD 0.48913 0.717391
85 XYT 0.469136 0.733333
86 LAT GLA 0.465753 0.942857
87 LAT FUC 0.464286 0.916667
88 GLC GAL FUC 0.464286 0.916667
89 GLC GLC XYP 0.464286 0.942857
90 BGC GAL FUC 0.464286 0.916667
91 8B7 0.464286 0.916667
92 FUC GAL GLC 0.464286 0.916667
93 G2F BGC BGC BGC BGC BGC 0.457831 0.825
94 GLA EGA 0.448718 0.891892
95 GAL BGC NAG GAL 0.445652 0.702128
96 AHR XYS XYS 0.44186 0.918919
97 BMA BMA BMA BMA 0.440476 0.888889
98 BGC GLA GAL FUC 0.43956 0.916667
99 NGA GAL BGC 0.438202 0.702128
100 BMA MAN MAN MAN MAN 0.438202 0.942857
101 GAL NGA GLA BGC GAL 0.4375 0.702128
102 GAL FUC 0.435897 0.888889
103 GLC GLC G6D ACI GLC GLC GLC 0.435644 0.73913
104 MAN BMA MAN 0.433735 0.942857
105 DR5 0.428571 0.891892
106 MMA MAN 0.428571 0.891892
107 AHR XYP XYP XYP 0.428571 0.918919
108 GAL NAG GAL GLC 0.425532 0.702128
109 BGC GAL NAG GAL 0.425532 0.702128
110 MAL EDO 0.425 0.944444
111 GLC G6D ACI GLC 0.424242 0.73913
112 GLC ACI G6D BGC 0.424242 0.73913
113 GLC ACI GLD GLC 0.424242 0.73913
114 GLC G6D ADH GLC 0.424242 0.73913
115 GLA GAL BGC 5VQ 0.421687 0.846154
116 BMA MAN MAN MAN 0.421687 0.942857
117 LB2 0.421053 0.942857
118 MAN GLC 0.421053 0.942857
119 M3M 0.421053 0.942857
120 NGR 0.421053 0.942857
121 GLC GLC XYS 0.420455 0.916667
122 AAO 0.419048 0.702128
123 ARE 0.419048 0.702128
124 U63 0.417722 0.846154
125 GLC GAL NAG GAL 0.416667 0.702128
126 LAT NAG GAL 0.416667 0.702128
127 GLO BGC BGC XYS BGC XYS XYS 0.415094 0.972222
128 OXZ BGC BGC 0.413793 0.729167
129 G2I 0.413793 0.813953
130 G3I 0.413793 0.813953
131 DEL 0.4125 0.971429
132 NGA GLA GAL BGC 0.412371 0.702128
133 MAN MAN MAN BMA MAN 0.408602 0.942857
134 FUC BGC GAL 0.406977 0.916667
135 GLA GAL GLC NBU 0.406977 0.804878
136 ACR GLC GLC GLC 0.40566 0.673469
137 GLC GLC AGL HMC GLC 0.40566 0.673469
138 GLC GLC ACI G6D GLC GLC 0.40566 0.673469
139 GLC GLC DAF BGC 0.40566 0.673469
140 5GO 0.404762 0.634615
141 MAN BMA MAN MAN MAN 0.404494 0.942857
142 M5S 0.404494 0.942857
143 GAL NAG GAL BGC 0.40404 0.708333
144 MAN MAN MAN MAN MAN MAN MAN 0.402062 0.942857
145 LAG 0.4 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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