Receptor
PDB id Resolution Class Description Source Keywords
3ZXK 1.44 Å EC: 3.2.1.55 ENGINEERING THE ACTIVE SITE OF A GH43 GLYCOSIDE HYDROLASE GE BIOTECHNOLOGICALLY SIGNIFICANT ENZYME THAT DISPLAYS BOTH ENX YLANASE AND EXO-ARABINOFURANOSIDASE ACTIVITY HUMICOLA INSOLENS HYDROLASE SUGAR BINDING PROTEIN
Ref.: INTRODUCING ENDO-XYLANASE ACTIVITY INTO AN EXO-ACTI ARABINOFURANOSIDASE THAT TARGETS SIDE CHAINS. PROC.NATL.ACAD.SCI.USA V. 109 6537 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:1563;
B:1563;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
XYP XYP AHR XYP C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
546.475 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZXK 1.44 Å EC: 3.2.1.55 ENGINEERING THE ACTIVE SITE OF A GH43 GLYCOSIDE HYDROLASE GE BIOTECHNOLOGICALLY SIGNIFICANT ENZYME THAT DISPLAYS BOTH ENX YLANASE AND EXO-ARABINOFURANOSIDASE ACTIVITY HUMICOLA INSOLENS HYDROLASE SUGAR BINDING PROTEIN
Ref.: INTRODUCING ENDO-XYLANASE ACTIVITY INTO AN EXO-ACTI ARABINOFURANOSIDASE THAT TARGETS SIDE CHAINS. PROC.NATL.ACAD.SCI.USA V. 109 6537 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3ZXK - XYP XYP AHR XYP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3ZXK - XYP XYP AHR XYP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3ZXK - XYP XYP AHR XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP AHR XYP; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP AHR XYP 1 1
2 XYP XYP XYP AHR XYP 0.954545 1
3 XYS AHR XYP XYP XYP 0.771429 1
4 XYP XYP AHR 0.7 1
5 XYP XYP XYP AHR 0.689189 1
6 XYS XYS AHR 0.676056 1
7 XYP XYP XYP XYP XYP 0.590909 0.888889
8 XYP XYP XYP XYP XYP XYP 0.590909 0.888889
9 XYP XYP XYP XYP XYP XYP XYP 0.590909 0.888889
10 XYP XYP FX3 XYP 0.542056 0.795455
11 XYS XYS XYS 0.486111 0.864865
12 XYP XYP GCV XYP 0.473118 0.8
13 XYP XYP XYP GCV 0.431579 0.8
14 MMA XYP 0.428571 0.894737
15 MAN MAN 0.424658 0.864865
16 XYP XYP GCV 0.413043 0.8
17 XYP XYP AHR FER 0.40708 0.795455
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP AHR XYP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 XYS XYP AHR XYP 0.9498
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZXK; Ligand: XYP XYP AHR 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: 3zxk.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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