Receptor
PDB id Resolution Class Description Source Keywords
1GQJ 1.9 Å EC: 3.2.1.139 STRUCTURE OF PSEUDOMONAS CELLULOSA ALPHA-D-GLUCURONIDASE COMPLEXED WITH XYLOBIOSE PSEUDOMONAS CELLULOSA GLUCURONIDASE STRUCTURE (ALPHA-BETA)8 BARREL GLYCOSIDE HYDROLASE XYLOBIOSE
Ref.: THE STRUCTURAL BASIS FOR CATALYSIS AND SPECIFICITY OF THE PSEUDOMONAS CELLULOSA ALPHA-GLUCURONIDASE, GLCA67A STRUCTURE V. 10 547 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:1721;
A:1722;
A:1723;
A:1724;
B:1721;
B:1722;
B:1723;
B:1724;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
EDO A:1713;
A:1714;
A:1715;
A:1716;
A:1717;
A:1718;
B:1713;
B:1714;
B:1715;
B:1716;
B:1717;
B:1718;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
XYP XYP A:1719;
B:1719;
Valid;
Valid;
none;
none;
submit data
164.157 n/a O(C)C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H41 1.5 Å EC: 3.2.1.139 PSEUDOMONAS CELLULOSA E292A ALPHA-D-GLUCURONIDASE MUTANT COMPLEXED WITH ALDOTRIURONIC ACID PSEUDOMONAS CELLULOSA HYDROLASE GLUCURONIDASE STRUCTURE (ALPHA-BETA)8 BARREL GLYCOSIDE HYDROLASE GLUCURONIC ACID
Ref.: THE ALPHA-GLUCURONIDASE,GLCA67A,OF CELLVIBRIO JAPONICUS UTILIZES THE CARBOXYLATE AND METHYL GROUPS OF ALDOBIOURONIC ACID AS IMPORTANT SUBSTRATE RECOGNITION DETERMINANTS J.BIOL.CHEM. V. 278 20286 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1H41 - GCV C7 H12 O7 CO[C@H]1[C....
2 1GQK - BDP C6 H10 O7 [C@@H]1([C....
3 1GQJ - XYP XYP n/a n/a
4 1GQL - XYP XYP n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1H41 - GCV C7 H12 O7 CO[C@H]1[C....
2 1GQK - BDP C6 H10 O7 [C@@H]1([C....
3 1GQJ - XYP XYP n/a n/a
4 1GQL - XYP XYP n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H41 - GCV C7 H12 O7 CO[C@H]1[C....
2 1GQK - BDP C6 H10 O7 [C@@H]1([C....
3 1GQJ - XYP XYP n/a n/a
4 1GQL - XYP XYP n/a n/a
5 1K9F - GCV XYP XYP n/a n/a
6 1MQQ - GCU C6 H10 O7 [C@@H]1([C....
7 1L8N - XYP XYP n/a n/a
8 1K9E - GCV C7 H12 O7 CO[C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ARW 1 1
2 XYP XYP 1 1
3 X1P 0.461538 0.651163
4 XS2 0.44 0.842105
5 XLM 0.431373 0.837838
6 XYP XYS 0.422222 0.828571
7 XYS XYP 0.422222 0.828571
8 BXP 0.422222 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H41; Ligand: GCV; 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: 1h41.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H41; Ligand: GCV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1h41.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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