Receptor
PDB id Resolution Class Description Source Keywords
2Y64 1.4 Å EC: 3.2.1.8 XYLOPENTAOSE BINDING MUTATED (X-2 L110F) CBM4-2 CARBOHYDRATE MODULE FROM A THERMOSTABLE RHODOTHERMUS MARINUS XYLANASE RHODOTHERMUS MARINUS HYDROLASE
Ref.: STRUCTURAL BASIS FOR CARBOHYDRATE-BINDING SPECIFICI COMPARATIVE ASSESSMENT OF TWO ENGINEERED CARBOHYDRATE-BINDING MODULES. GLYCOBIOLOGY V. 22 948 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1168;
A:1169;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 Kd = 1.68 uM
678.59 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y64 1.4 Å EC: 3.2.1.8 XYLOPENTAOSE BINDING MUTATED (X-2 L110F) CBM4-2 CARBOHYDRATE MODULE FROM A THERMOSTABLE RHODOTHERMUS MARINUS XYLANASE RHODOTHERMUS MARINUS HYDROLASE
Ref.: STRUCTURAL BASIS FOR CARBOHYDRATE-BINDING SPECIFICI COMPARATIVE ASSESSMENT OF TWO ENGINEERED CARBOHYDRATE-BINDING MODULES. GLYCOBIOLOGY V. 22 948 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 2Y64 Kd = 1.68 uM XYP XYP XYP XYP XYP n/a n/a
2 2Y6K - XYP XYP XYP XYP n/a n/a
3 4BJ0 Ka = 151000 M^-1 BGC BGC XYS BGC XYS XYS n/a n/a
4 2Y6L Kd = 43 uM XYP XYP XYP XYP XYP n/a n/a
5 2Y6G Kd ~ 1 mM BGC BGC BGC n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 2Y64 Kd = 1.68 uM XYP XYP XYP XYP XYP n/a n/a
2 2Y6K - XYP XYP XYP XYP n/a n/a
3 4BJ0 Ka = 151000 M^-1 BGC BGC XYS BGC XYS XYS n/a n/a
4 2Y6L Kd = 43 uM XYP XYP XYP XYP XYP n/a n/a
5 2Y6G Kd ~ 1 mM BGC BGC BGC n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2Y64 Kd = 1.68 uM XYP XYP XYP XYP XYP n/a n/a
2 2Y6K - XYP XYP XYP XYP n/a n/a
3 4BJ0 Ka = 151000 M^-1 BGC BGC XYS BGC XYS XYS n/a n/a
4 2Y6L Kd = 43 uM XYP XYP XYP XYP XYP n/a n/a
5 2Y6G Kd ~ 1 mM BGC BGC BGC n/a n/a
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) APoc FAQ
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