Receptor
PDB id Resolution Class Description Source Keywords
6G0N 1.8 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF A GH8 CATALYTIC MUTANT XYLOHEXAOSE COMP XYLANASE FROM TEREDINIBACTER TURNERAE TEREDINIBACTER TURNERAE (STRAIN ATCC 3T7901) XYLANSE MUTANT CARBOHYDRATE HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF A GLYCOSIDE HYDROLASE FAM ENDOXYLANASE FROM TEREDINIBACTER TURNERAE. ACTA CRYSTALLOGR D STRUCT V. 74 946 2018 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
810.705 n/a O(C1C...
GOL A:407;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6G09 1.4 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF A GH8 XYLOBIOSE COMPLEX FROM TEREDINIBA TURNERAE TEREDINIBACTER TURNERAE (STRAIN ATCC 3T7901) XYLANSE NATIVE CARBOHYDRATE HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF A GLYCOSIDE HYDROLASE FAM ENDOXYLANASE FROM TEREDINIBACTER TURNERAE. ACTA CRYSTALLOGR D STRUCT V. 74 946 2018 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6G09 - XYP XYP n/a n/a
2 6G0B - XYP XYP XYP n/a n/a
3 6G0N - XYP XYP XYP XYP XYP XYP n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6G09 - XYP XYP n/a n/a
2 6G0B - XYP XYP XYP n/a n/a
3 6G0N - XYP XYP XYP XYP XYP XYP n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TO0 - XYP XYP XYP AHR n/a n/a
2 6SRD - XYP C5 H10 O5 C1[C@H]([C....
3 6SUD - XYP C5 H10 O5 C1[C@H]([C....
4 6TOW - XYP XYP XYP XYP n/a n/a
5 6TRH - XYP XYP XYP AHR XYP n/a n/a
6 1H12 - XYS C5 H10 O5 C1[C@H]([C....
7 2B4F - XYP XYP XYP XYP XYP n/a n/a
8 1XWQ - XYP XYP XYP n/a n/a
9 1WU6 - XYP XYP n/a n/a
10 1WU5 - XYP C5 H10 O5 C1[C@H]([C....
11 6G09 - XYP XYP n/a n/a
12 6G0B - XYP XYP XYP n/a n/a
13 6G0N - XYP XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP 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 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 : 6G09; Ligand: XYP XYP; 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: 6g09.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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