Receptor
PDB id Resolution Class Description Source Keywords
2Y5E 2.49 Å EC: 3.2.1.41 BARLEY LIMIT DEXTRINASE IN COMPLEX WITH ALPHA-CYCLODEXTRIN HORDEUM VULGARE HYDROLASE STARCH PULLULANASE DEBRANCHING ENZYME GLYCOSIDHYDROLASE 13
Ref.: CRYSTAL STRUCTURE OF AN ESSENTIAL ENZYME IN SEED ST DEGRADATION: BARLEY LIMIT DEXTRINASE IN COMPLEX WIT CYCLODEXTRINS. J.MOL.BIOL. V. 403 739 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACX A:1889;
Valid;
none;
submit data
972.844 C36 H60 O30 C([C@...
CA A:1887;
A:1888;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1886;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IOD A:1890;
A:1891;
A:1892;
A:1893;
A:1894;
A:1895;
A:1896;
A:1897;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
126.904 I [I-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y4S 2.1 Å EC: 3.2.1.41 BARLEY LIMIT DEXTRINASE IN COMPLEX WITH BETA-CYCLODEXTRIN HORDEUM VULGARE STARCH PULLULANASE HYDROLASE DEBRANCHING ENZYME GLYCOSIDHYDROLASE FAMILY 13
Ref.: CRYSTAL STRUCTURE OF AN ESSENTIAL ENZYME IN SEED ST DEGRADATION: BARLEY LIMIT DEXTRINASE IN COMPLEX WIT CYCLODEXTRINS. J.MOL.BIOL. V. 403 739 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Y4S Kd = 0.7 uM BCD C42 H70 O35 C([C@@H]1[....
2 2Y5E - ACX C36 H60 O30 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Y4S Kd = 0.7 uM BCD C42 H70 O35 C([C@@H]1[....
2 2Y5E - ACX C36 H60 O30 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Y4S Kd = 0.7 uM BCD C42 H70 O35 C([C@@H]1[....
2 2Y5E - ACX C36 H60 O30 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACX; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y4S; Ligand: BCD; 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: 2y4s.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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