Receptor
PDB id Resolution Class Description Source Keywords
1UY4 1.69 Å EC: 3.-.-.- BINDING SUB-SITE DISSECTION OF A FAMILY 6 CARBOHYDRATE-BINDI BY X-RAY CRYSTALLOGRAPHY AND ISOTHERMAL TITRATION CALORIMET CLOSTRIDIUM STERCORARIUM CARBOHYDRATE-BINDING MODULE THERMODYNAMICS PROTEIN STRUCTUXYLAN PROTEIN-CARBOHYDRATE INTERACTIONS
Ref.: BINDING SUB-SITE DISSECTION OF A CARBOHYDRATE-BINDI REVEALS THE CONTRIBUTION OF ENTROPY TO OLIGOSACCHAR RECOGNITION AT "NON-PRIMARY" BINDING SUBSITES. J.MOL.BIOL. V. 340 869 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1147;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GOL A:1152;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:1146;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
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
1UY4 1.69 Å EC: 3.-.-.- BINDING SUB-SITE DISSECTION OF A FAMILY 6 CARBOHYDRATE-BINDI BY X-RAY CRYSTALLOGRAPHY AND ISOTHERMAL TITRATION CALORIMET CLOSTRIDIUM STERCORARIUM CARBOHYDRATE-BINDING MODULE THERMODYNAMICS PROTEIN STRUCTUXYLAN PROTEIN-CARBOHYDRATE INTERACTIONS
Ref.: BINDING SUB-SITE DISSECTION OF A CARBOHYDRATE-BINDI REVEALS THE CONTRIBUTION OF ENTROPY TO OLIGOSACCHAR RECOGNITION AT "NON-PRIMARY" BINDING SUBSITES. J.MOL.BIOL. V. 340 869 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 1UY4 - XYP XYP XYP XYP n/a n/a
2 1UY3 - XYP XYP XYP n/a n/a
3 1UY2 - 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 261 families.
1 1UY4 - XYP XYP XYP XYP n/a n/a
2 1UY3 - XYP XYP XYP n/a n/a
3 1UY2 - XYP XYP n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1NAE - XYP XYP XYP n/a n/a
2 1O8S - BGC BGC n/a n/a
3 1OD3 - BGC BGC n/a n/a
4 1W9T - XYP XYP n/a n/a
5 1UY4 - XYP XYP XYP XYP n/a n/a
6 1UY3 - XYP XYP XYP 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)
Pocket No.: 1; Query (leader) PDB : 1UY4; Ligand: 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: 1uy4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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