Receptor
PDB id Resolution Class Description Source Keywords
1GQL 1.67 Å EC: 3.2.1.139 STRUCTURE OF PSEUDOMONAS CELLULOSA ALPHA-D-GLUCURONIDASE COM WITH GLUCURONIC ACID AND XYLOTRIOSE CELLVIBRIO JAPONICUS HYDROLASE GLUCURONIDASE (ALPHA-BETA)8 BARREL GLYCOSIDE HYGLUCURONIC ACID XYLOTRIOSE
Ref.: THE STRUCTURAL BASIS FOR CATALYSIS AND SPECIFICITY 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
BDP A:1706;
B:1705;
Valid;
Valid;
none;
none;
submit data
194.139 C6 H10 O7 [C@@H...
CO A:1714;
A:1715;
A:1716;
A:1717;
B:1714;
B:1715;
B:1716;
B:1717;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
EDO A:1707;
A:1708;
A:1709;
A:1710;
A:1711;
B:1706;
B:1707;
B:1708;
B:1709;
B:1710;
B:1711;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
XYP XYP A:1712;
B:1712;
Valid;
Valid;
none;
none;
submit data
282.245 n/a O(C1O...
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: BDP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA 1 1
2 BDP 1 1
3 GTR 1 1
4 GCU 1 1
5 AD0 0.458333 0.821429
6 GCW 0.45 0.884615
7 GCV 0.45 0.884615
8 TGU 0.423077 0.821429
Ligand no: 2; Ligand: XYP XYP; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP 1 1
2 XYS XYS 1 1
3 XYS XYP 1 1
4 BXP 1 1
5 XYP XYS 1 1
6 XYP XYP XYP XYP XYP XYP 0.904762 1
7 XYS XYP XYP 0.904762 1
8 XYP XYP XYP XYS 0.904762 1
9 XYS XYS XYS XYS 0.904762 1
10 XYS XYS XYS XYS XYS 0.904762 1
11 XYP XYP XYP XYP 0.904762 1
12 XYP XYS XYP 0.904762 1
13 XYP XYP XYS 0.904762 1
14 XYP XYP XYP 0.904762 1
15 XYP XYP XYP XYP XYP 0.904762 1
16 XYS XYS XYS 0.708333 0.969697
17 XYS XYP AHR XYP 0.603175 0.888889
18 XYP XYP XYP AHR 0.603175 0.888889
19 XYP AHR XYP XYP 0.603175 0.888889
20 XYS XYS AZI 0.537037 0.653061
21 XYP XYP AHR 0.516129 0.888889
22 AHR XYP XYP 0.516129 0.888889
23 XYS XYP AHR 0.516129 0.888889
24 AHR XYS XYS 0.516129 0.888889
25 AHR XYP XYP XYP 0.515152 0.888889
26 XYP XYP GCV XYP 0.513514 0.888889
27 AHR XYS XYP XYP XYP 0.5 0.888889
28 XYP XYP TRS 0.483333 0.744186
29 XYP XDN 0.471698 0.756098
30 XDN XYP 0.471698 0.756098
31 XIF XYP 0.462963 0.704545
32 XYP XIF 0.462963 0.704545
33 GCV XYP XYP XYS 0.441558 0.888889
34 GCV XYP XYP XYP 0.441558 0.888889
35 XYP XYP XYP GCV 0.441558 0.888889
36 XYS XYS NPO 0.439394 0.615385
37 GCV XYP XYP 0.438356 0.888889
38 ARW 0.422222 0.828571
39 XIL 0.416667 0.680851
40 XYP LOX 0.416667 0.603774
41 XDL XYP 0.416667 0.680851
42 XYP 0.414634 0.84375
43 HSY 0.414634 0.84375
44 ARB 0.414634 0.84375
45 ARA 0.414634 0.84375
46 0MK 0.414634 0.84375
47 LXC 0.414634 0.84375
48 XYS 0.414634 0.84375
49 RIP 0.414634 0.84375
50 GLC GLC XYP 0.409091 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H41; Ligand: GCV; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H41; Ligand: GCV; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback