Receptor
PDB id Resolution Class Description Source Keywords
2VNO 1.45 Å EC: 3.2.1.- FAMILY 51 CARBOHYDRATE BINDING MODULE FROM A FAMILY 98 GLYCO HYDROLASE PRODUCED BY CLOSTRIDIUM PERFRINGENS IN COMPLEX WIG ROUP B-TRISACCHARIDE LIGAND. CLOSTRIDIUM PERFRINGENS FAMILY 51 CARBOHYDRATE BINDING MODULE CLOSTRIDIUM PERFRINGEFAMILY 98 GLYCOSIDE HYDROLASE B-TRISACCHARIDE BLOOD GROUPANTIGENS HYDROLASE
Ref.: DIVERGENT MODES OF GLYCAN RECOGNITION BY A NEW FAMI CARBOHYDRATE-BINDING MODULES J.BIOL.CHEM. V. 283 12604 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1213;
B:1214;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GAL GAL FUC A:1210;
B:1211;
Valid;
Valid;
none;
none;
submit data
488.439 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VNO 1.45 Å EC: 3.2.1.- FAMILY 51 CARBOHYDRATE BINDING MODULE FROM A FAMILY 98 GLYCO HYDROLASE PRODUCED BY CLOSTRIDIUM PERFRINGENS IN COMPLEX WIG ROUP B-TRISACCHARIDE LIGAND. CLOSTRIDIUM PERFRINGENS FAMILY 51 CARBOHYDRATE BINDING MODULE CLOSTRIDIUM PERFRINGEFAMILY 98 GLYCOSIDE HYDROLASE B-TRISACCHARIDE BLOOD GROUPANTIGENS HYDROLASE
Ref.: DIVERGENT MODES OF GLYCAN RECOGNITION BY A NEW FAMI CARBOHYDRATE-BINDING MODULES J.BIOL.CHEM. V. 283 12604 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2VNG - A2G GAL FUC n/a n/a
2 2VNO - GAL GAL FUC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2VNG - A2G GAL FUC n/a n/a
2 2VNO - GAL GAL FUC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2VNG - A2G GAL FUC n/a n/a
2 2VNO - GAL GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL GAL FUC; Similar ligands found: 199
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL GAL FUC 1 1
2 FUC GAL GLA 1 1
3 GLA GLA FUC 1 1
4 FUC GLA GLA 1 1
5 GLA GAL FUC 1 1
6 FUC GL0 A2G 0.691176 0.73913
7 A2G GLA FUC 0.691176 0.73913
8 A2G GAL FUC 0.691176 0.73913
9 NGA GAL FUC 0.691176 0.73913
10 FUC GLA A2G 0.691176 0.73913
11 FUC GAL A2G 0.691176 0.73913
12 FUC GAL NGA 0.671429 0.755556
13 FUC BGC GAL 0.666667 1
14 GLA MAN ABE 0.656716 0.944444
15 FUC GAL 0.627119 0.970588
16 BGC GLA GAL FUC 0.619718 1
17 BGB 0.56 0.790698
18 GAL NDG FUC 0.547945 0.73913
19 FUC NAG GAL 0.547945 0.73913
20 FUC NDG GAL 0.547945 0.73913
21 GAL NAG FUC 0.547945 0.73913
22 2M4 0.542373 0.970588
23 BGC BGC 0.542373 0.970588
24 MAN MAN 0.542373 0.970588
25 GLC GAL FUC 0.528571 1
26 LAT FUC 0.528571 1
27 FUC LAT 0.528571 1
28 FUC GAL GLC 0.528571 1
29 BGC GAL FUC 0.528571 1
30 GLA NAG GAL FUC 0.525 0.73913
31 GAL NAG GAL FUC 0.525 0.73913
32 MAN GLC 0.508197 0.970588
33 LB2 0.508197 0.970588
34 M3M 0.508197 0.970588
35 FUC NAG 0.507246 0.717391
36 MAG FUC GAL 0.506667 0.708333
37 BMA BMA MAN 0.5 0.942857
38 NAG GAL FUC 0.493506 0.73913
39 DR3 0.493506 0.73913
40 MAN MAN BMA 0.484848 0.970588
41 FUC BGC GAL NAG GAL 0.483146 0.73913
42 FUC BGC GAL NAG 0.482353 0.73913
43 GAL A2G 0.478261 0.755556
44 GAL NGA 0.478261 0.755556
45 A2G GAL 0.478261 0.755556
46 GLA GAL NAG FUC GAL GLC 0.478261 0.73913
47 GAL FUC 0.476923 0.970588
48 GLC FUC GAL FUC A2G 0.476744 0.723404
49 BGC FUC GAL FUC A2G 0.476744 0.723404
50 A2G GAL BGC FUC 0.471264 0.73913
51 GLC BGC BGC BGC 0.469697 0.970588
52 BGC BGC BGC GLC BGC BGC 0.469697 0.970588
53 BGC BGC BGC ASO BGC BGC ASO 0.469697 0.970588
54 BGC BGC BGC BGC BGC 0.469697 0.970588
55 GLC BGC BGC BGC BGC BGC BGC 0.469697 0.970588
56 BGC BGC BGC 0.469697 0.970588
57 MDM 0.46875 0.971429
58 GAL MBG 0.46875 0.971429
59 M13 0.46875 0.971429
60 NAG FUC 0.464789 0.695652
61 BMA MAN MAN 0.463768 0.970588
62 FUL GAL NAG 0.461538 0.73913
63 DR2 0.461538 0.73913
64 FUC GAL NDG 0.461538 0.73913
65 FUC GAL NAG 0.461538 0.73913
66 NDG GAL FUC 0.461538 0.73913
67 XYS GAL FUC 0.460526 0.971429
68 LAT 0.460317 0.970588
69 GAL BGC 0.460317 0.970588
70 GLA GAL 0.460317 0.970588
71 MAL MAL 0.460317 0.942857
72 MAL 0.460317 0.970588
73 GLC GAL 0.460317 0.970588
74 B2G 0.460317 0.970588
75 LBT 0.460317 0.970588
76 BMA GAL 0.460317 0.970588
77 MAB 0.460317 0.970588
78 CBK 0.460317 0.970588
79 CBI 0.460317 0.970588
80 GLA GLA 0.460317 0.970588
81 BMA BMA 0.460317 0.970588
82 BGC GLC 0.460317 0.970588
83 BGC BMA 0.460317 0.970588
84 GAL GLC 0.460317 0.970588
85 GLC BGC 0.460317 0.970588
86 N9S 0.460317 0.970588
87 BGC GAL 0.460317 0.970588
88 A2G GAL NAG FUC 0.454545 0.693878
89 TRE 0.454545 0.970588
90 GAL NGA A2G 0.453333 0.693878
91 FUC BHG 0.453333 0.790698
92 4YA 0.453333 0.790698
93 BHG FUC 0.453333 0.790698
94 MAN MAN MAN GLC 0.452055 0.970588
95 BGC BGC GLC 0.449275 0.970588
96 FUC NAG GLA GAL 0.448276 0.723404
97 NAG GAL FUC FUC A2G 0.444444 0.693878
98 BCW 0.444444 0.723404
99 GAL NDG FUC FUC 0.444444 0.723404
100 FUC GAL NAG FUC 0.444444 0.723404
101 GAL NAG FUC FUC 0.444444 0.723404
102 FUC NDG GAL FUC 0.444444 0.723404
103 FUC GAL NAG A2G FUC 0.444444 0.693878
104 BDZ 0.444444 0.723404
105 FUC GAL NDG FUC 0.444444 0.723404
106 FUC NAG GAL FUC 0.444444 0.723404
107 GLA MBG 0.444444 0.971429
108 GLA MMA ABE 0.441558 0.894737
109 BHE 0.441558 0.790698
110 BMA MAN 0.439394 0.888889
111 DOM 0.439394 0.916667
112 GAL MGC 0.43662 0.723404
113 NLC 0.43662 0.755556
114 NDG GAL 0.43662 0.755556
115 GAL NDG 0.43662 0.755556
116 U63 0.432836 0.868421
117 CTT 0.432836 0.970588
118 GAL GAL GAL 0.432836 0.970588
119 CEY 0.432836 0.970588
120 GLC BGC BGC 0.432836 0.970588
121 CE8 0.432836 0.970588
122 GLC BGC BGC BGC BGC BGC 0.432836 0.970588
123 BGC GLC GLC GLC GLC 0.432836 0.970588
124 BGC GLC GLC 0.432836 0.970588
125 CT3 0.432836 0.970588
126 GLC BGC GLC 0.432836 0.970588
127 MAN BMA BMA 0.432836 0.970588
128 BMA BMA BMA 0.432836 0.970588
129 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
130 MLR 0.432836 0.970588
131 GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
132 GLC GLC BGC GLC GLC GLC GLC 0.432836 0.970588
133 CTR 0.432836 0.970588
134 BMA BMA BMA BMA BMA BMA 0.432836 0.970588
135 GLC GLC GLC GLC GLC 0.432836 0.970588
136 BGC GLC GLC GLC 0.432836 0.970588
137 MAN BMA BMA BMA BMA 0.432836 0.970588
138 CEX 0.432836 0.970588
139 B4G 0.432836 0.970588
140 BGC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
141 GLC GAL GAL 0.432836 0.970588
142 BMA MAN BMA 0.432836 0.970588
143 GLA GAL GLC 0.432836 0.970588
144 BMA BMA BMA BMA BMA 0.432836 0.970588
145 MTT 0.432836 0.970588
146 GLC GLC BGC 0.432836 0.970588
147 BGC BGC BGC BGC BGC BGC 0.432836 0.970588
148 CE5 0.432836 0.970588
149 GLC GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
150 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.432836 0.970588
151 BGC BGC BGC GLC 0.432836 0.970588
152 MT7 0.432836 0.970588
153 CE6 0.432836 0.970588
154 DXI 0.432836 0.970588
155 MAN MAN BMA BMA BMA BMA 0.432836 0.970588
156 GLC BGC BGC BGC BGC 0.432836 0.970588
157 FUC GAL NAG GAL FUC 0.431818 0.723404
158 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.430108 0.68
159 CGC 0.428571 0.914286
160 GLA EGA 0.426471 0.971429
161 GAL GAL SO4 0.424658 0.6875
162 GLC GAL NAG GAL FUC A2G 0.424242 0.693878
163 A2G GAL NAG FUC GAL GLC 0.424242 0.693878
164 DR5 0.424242 0.971429
165 MMA MAN 0.424242 0.971429
166 FUC GAL NAG GAL BGC 0.423913 0.73913
167 GLA GAL GAL 0.422535 0.970588
168 GLA GAL BGC 0.422535 0.970588
169 LAT GLA 0.421875 0.970588
170 BGA 0.417582 0.618182
171 GAL NAG MAN 0.4125 0.755556
172 MAN NAG GAL 0.4125 0.755556
173 FUC GAL MAG FUC 0.409639 0.708333
174 MAN BMA BMA BMA BMA BMA 0.408451 0.942857
175 BMA BMA BMA BMA BMA BMA MAN 0.408451 0.942857
176 ABD 0.406977 0.772727
177 GLC GAL NAG GAL FUC FUC 0.40625 0.723404
178 BGC GAL NAG GAL FUC FUC 0.40625 0.723404
179 NOY BGC 0.405797 0.733333
180 AIG FUC 0.405063 0.66
181 GLA GAL NAG 0.405063 0.755556
182 MAN BMA NAG 0.405063 0.755556
183 NAG GAL GAL 0.405063 0.755556
184 GLC G6D ACI GLC 0.404494 0.809524
185 GLC ACI GLD GLC 0.404494 0.809524
186 GLC ACI G6D BGC 0.404494 0.809524
187 GLC G6D ADH GLC 0.404494 0.809524
188 RZM 0.402985 0.673913
189 T6P 0.402985 0.75
190 GAL LOG 0.402597 0.607143
191 MAN MAN MAN MAN 0.402597 0.970588
192 LOG GAL 0.402597 0.607143
193 MAN MAN BMA MAN 0.402597 0.970588
194 BGC OXZ 0.4 0.653061
195 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.970588
196 GLC GLC GLC GLC 0.4 0.970588
197 MAN MNM 0.4 0.733333
198 BGC BGC BGC BGC 0.4 0.970588
199 NAG BMA 0.4 0.673469
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VNO; Ligand: GAL GAL FUC; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 2vno.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X1E X1E 0.01147 0.40172 2.22222
2 3RYC GTP 0.02485 0.41668 5.55556
3 2JK0 ASP 0.006869 0.41522 5.55556
4 2C3H GLC GLC 0.01786 0.40214 6.12245
5 4J1Q NDP 0.03767 0.40464 7.22222
6 3P13 RIP 0.007147 0.41192 13.8889
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