Receptor
PDB id Resolution Class Description Source Keywords
3WN2 2.1 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF STREPTOMYCES COELICOLOR ALPHA-L- ARABINOFURANOSIDASE IN COMPLEX WITH XYLOHEXAOSE STREPTOMYCES COELICOLOR FIVE-BLADED BETA-PROPELLER GLYCOSIDE HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE AND CHARACTERIZATION OF THE GLYCO HYDROLASE FAMILY 62 ALPHA-L-ARABINOFURANOSIDASE FRO STREPTOMYCES COELICOLOR J.BIOL.CHEM. V. 289 7962 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:509;
A:510;
 Invalid;
Invalid;
 none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
678.59 n/a O(C1C...
CA A:501;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
CL A:502;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
TRS A:503;
 Invalid;
 none;
 submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WN0 1.9 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF STREPTOMYCES COELICOLOR ALPHA-L- ARABINOFURANOSIDASE IN COMPLEX WITH L-ARABINOSE STREPTOMYCES COELICOLOR FIVE-BLADED BETA-PROPELLER GLYCOSIDE HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE AND CHARACTERIZATION OF THE GLYCO HYDROLASE FAMILY 62 ALPHA-L-ARABINOFURANOSIDASE FRO STREPTOMYCES COELICOLOR J.BIOL.CHEM. V. 289 7962 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3WN2 - XYP XYP XYP XYP XYP n/a n/a
2 3WN1 - XYP XYP XYP n/a n/a
3 3WN0 - FUB C5 H10 O5 C([C@H]1[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3WN2 - XYP XYP XYP XYP XYP n/a n/a
2 3WN1 - XYP XYP XYP n/a n/a
3 3WN0 - FUB C5 H10 O5 C([C@H]1[C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6F1J Kd = 24 uM EDG C5 H11 N O3 C1[C@@H]([....
2 3WN2 - XYP XYP XYP XYP XYP n/a n/a
3 3WN1 - XYP XYP XYP n/a n/a
4 3WN0 - FUB C5 H10 O5 C([C@H]1[C....
5 4O8P - XYP XYP XYP XYP n/a n/a
6 4O8O - AHR C5 H10 O5 C([C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP XYP XYP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 1 1
3 XYP XYP XYP XYP XYP 1 1
4 XYS XYS XYS 0.791667 0.969697
5 XYP XYP XYP AHR XYP 0.636364 0.888889
6 XYP XYP XYP XYP 0.622642 0.941176
7 XYP XYP AHR XYP 0.590909 0.888889
8 XYP XYP XYP AHR 0.575758 0.888889
9 XYS AHR XYP XYP XYP 0.560606 0.888889
10 XYP XYP XYP 0.559322 0.969697
11 XYS XYS 0.511111 0.939394
12 XYP TRS XYP 0.508197 0.711111
13 XYP XYP GCV XYP 0.506494 0.888889
14 XYS AZI XYS 0.5 0.653061
15 XYP XYP XYP GCV 0.493506 0.888889
16 XYP XYP 0.490566 0.911765
17 XYS XYS AHR 0.484848 0.888889
18 XYP XYP AHR 0.484848 0.888889
19 XYS NPO XYS 0.455882 0.615385
20 XYP XIF 0.438596 0.659574
21 XYP XDN 0.438596 0.704545
22 XYP XYP GCV 0.415584 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP XYP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WN0; Ligand: FUB; 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: 3wn0.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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