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 FUC GAL C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
488.439 n/a O(C1C...
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 17 families.
1 2VNG - GAL FUC A2G n/a n/a
2 2VNO - GAL FUC GAL 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 17 families.
1 2VNG - GAL FUC A2G n/a n/a
2 2VNO - GAL FUC GAL 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 - GAL FUC A2G n/a n/a
2 2VNO - GAL FUC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL FUC GAL; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL FUC GAL 1 1
2 GAL FUC A2G 0.691176 0.73913
3 GAL FUC NGA 0.671429 0.708333
4 BGC FUC GAL 0.666667 1
5 GLC BGC FUC GAL 0.666667 1
6 MAN GLA ABE 0.656716 0.944444
7 BGC GAL FUC GLA 0.619718 1
8 HSH GLA FUC 0.575342 0.790698
9 NAG GAL FUC GLA 0.556962 0.73913
10 NAG FUC GAL 0.547945 0.73913
11 GLC GAL BGC FUC 0.528571 1
12 BGC GAL FUC 0.528571 1
13 GAL NAG FUC GAL 0.525 0.73913
14 GAL GLA 0.508197 0.970588
15 NAG FUC 0.507246 0.717391
16 NAG GAL FUC 0.493506 0.73913
17 AHR FUB 0.491228 0.833333
18 BMA MAN MAN MAN 0.486842 0.944444
19 BGC FUC GAL NAG GAL 0.483146 0.73913
20 BGC FUC GAL NAG 0.482353 0.73913
21 A2G GAL 0.478261 0.755556
22 GLC GAL NAG GAL FUC GLA 0.478261 0.73913
23 FUC GAL 0.476923 0.970588
24 BGC FUC GAL FUC A2G 0.476744 0.723404
25 BGC GAL FUC A2G 0.471264 0.73913
26 BGC BGC BGC BGC BGC 0.469697 0.970588
27 GAL FUC 0.469697 0.942857
28 BGC BGC BGC BGC BGC BGC BGC 0.469697 0.970588
29 BGC BGC BGC BGC BGC BGC 0.469697 0.970588
30 GLC BGC BGC BGC 0.469697 0.970588
31 BGC BGC BGC 0.469697 0.970588
32 MBG GAL 0.46875 0.971429
33 IPD MAN 0.462687 0.72093
34 NAG GAL FUC A2G 0.461538 0.73913
35 XYS GAL FUC 0.460526 0.971429
36 BQZ 0.457627 0.882353
37 4YA 0.453333 0.790698
38 GLA NAG GAL FUC 0.452381 0.73913
39 MAN MAN MAN GLC 0.452055 0.970588
40 GLA NAG FUC GAL 0.448276 0.723404
41 MAN IPD MAN 0.447761 0.767442
42 NAG GAL FUC FUC 0.444444 0.723404
43 NDG FUC GAL FUC 0.444444 0.723404
44 NAG GAL FUC FUC A2G 0.444444 0.693878
45 NAG FUC GAL FUC A2G 0.444444 0.693878
46 MBG GLA 0.444444 0.971429
47 MMA GLA ABE 0.441558 0.894737
48 BHE 0.441558 0.790698
49 RR7 GLC 0.439394 0.916667
50 NAG GAL 0.43662 0.755556
51 MGC GAL 0.43662 0.723404
52 NDG GAL FUC FUC 0.433735 0.693878
53 MAN BMA BMA BMA BMA BMA BMA 0.432836 0.970588
54 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.432836 0.970588
55 GLC GLC GLC GLC BGC GLC GLC 0.432836 0.970588
56 GAL NAG GAL FUC FUC 0.431818 0.723404
57 BMA MAN MAN 0.430556 0.970588
58 NDG GAL 0.430556 0.607143
59 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.430108 0.68
60 GCU BGC 0.428571 0.888889
61 HSH A2G FUC 0.426966 0.618182
62 GLC GAL NAG GAL FUC A2G 0.424242 0.693878
63 MGL GAL 0.424242 0.971429
64 BGC GAL NAG GAL FUC 0.423913 0.73913
65 BGC GAL GLA 0.422535 0.970588
66 BGC GLA GAL 0.421875 0.970588
67 GAL SO4 GAL 0.418919 0.647059
68 MAN NAG GAL 0.4125 0.755556
69 MAG FUC GAL FUC 0.409639 0.708333
70 MAG GAL FUC FUC 0.409639 0.708333
71 MAN MAN 0.409091 0.914286
72 BGC XGP 0.408451 0.767442
73 GAL NAG GAL 0.407407 0.755556
74 BGC GAL NAG GAL FUC FUC 0.40625 0.723404
75 AIG FUC 0.405063 0.653846
76 NAG GAL GAL 0.405063 0.755556
77 A2G GAL NAG 0.404762 0.708333
78 GAL NAG GAL FUC 0.404494 0.708333
79 RZM 0.402985 0.673913
80 LOG GAL 0.402597 0.607143
81 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.970588
82 NAG BMA 0.4 0.673469
83 BGC OXZ 0.4 0.653061
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL FUC GAL; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GAL FUC GLA 0.9775
2 GLA FUC GLA 0.9661
3 A2G GAL FUC 0.9168
4 GLA FUC A2G 0.9161
5 GL0 FUC A2G 0.8956
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VNO; Ligand: GAL FUC GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2vno.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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