Receptor
PDB id Resolution Class Description Source Keywords
2Y6K 1.36 Å EC: 3.2.1.8 XYLOTETRAOSE BOUND TO X-2 ENGINEERED MUTATED CBM4-2 CARBOHYD BINDING MODULE FROM A THERMOSTABLE RHODOTHERMUS MARINUS XYL 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:1167;
A:1168;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
CIT A:1173;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
530.476 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; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP 1 1
2 XYP XYP 0.840909 0.970588
3 XYP XYP XYP XYP XYP XYP XYP 0.622642 0.941176
4 XYP XYP XYP XYP XYP 0.622642 0.941176
5 XYP XYP XYP XYP XYP XYP 0.622642 0.941176
6 XYP XYP XYP 0.540984 0.914286
7 XYP TRS XYP 0.492063 0.717391
8 XYS XYS XYS 0.491525 0.970588
9 XYS AZI XYS 0.483333 0.627451
10 XYP XIF 0.473684 0.702128
11 XYS AHR XYP XYP XYP 0.458333 0.842105
12 XYP XDN 0.448276 0.75
13 XYP XYP XYP AHR XYP 0.428571 0.842105
14 XYP GCU 0.421875 0.944444
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 5
No: Ligand Similarity coefficient
1 XYS XYS XYS XYS 0.9766
2 XYS XYP XYP XYP 0.9721
3 BGC BGC BGC BGC 0.8602
4 GS1 SGC BGC SGC 0.8593
5 GLC BGC BGC BGC 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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