Receptor
PDB id Resolution Class Description Source Keywords
1GNY 1.63 Å EC: 3.2.1.8 XYLAN-BINDING MODULE CBM15 PSEUDOMONAS CELLULOSA CARBOHYDRATE-BINDING MODULE XYLAN XYLOOLIGOSACCHARIDE XYLCATALYSIS
Ref.: STRUCTURE OF A FAMILY 15 CARBOHYDRATE-BINDING MODUL COMPLEX WITH XYLOPENTAOSE: EVIDENCE THAT XYLAN BIND APPROXIMATE THREE-FOLD HELICAL CONFORMATION J.BIOL.CHEM. V. 276 49061 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:1244;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 Kd = 73 uM
678.59 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GNY 1.63 Å EC: 3.2.1.8 XYLAN-BINDING MODULE CBM15 PSEUDOMONAS CELLULOSA CARBOHYDRATE-BINDING MODULE XYLAN XYLOOLIGOSACCHARIDE XYLCATALYSIS
Ref.: STRUCTURE OF A FAMILY 15 CARBOHYDRATE-BINDING MODUL COMPLEX WITH XYLOPENTAOSE: EVIDENCE THAT XYLAN BIND APPROXIMATE THREE-FOLD HELICAL CONFORMATION J.BIOL.CHEM. V. 276 49061 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1GNY Kd = 73 uM XYP XYP XYP XYP 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 32 families.
1 1GNY Kd = 73 uM XYP XYP XYP XYP 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 19 families.
1 1GNY Kd = 73 uM XYP XYP XYP XYP XYP 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)
Pocket No.: 1; Query (leader) PDB : 1GNY; Ligand: XYP XYP XYP 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: 1gny.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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