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 A:1148;
Valid;
none;
submit data
546.475 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 253 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 209 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 17 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
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS XYS XYS XYS 1 1
2 XYP XYP XYP XYP 1 1
3 XYP XYP XYS 1 1
4 XYS XYS XYS XYS XYS 1 1
5 XYP XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP XYP XYP XYP 1 1
7 XYS XYP XYP 1 1
8 XYP XYP XYP 1 1
9 XYP XYP XYP XYS 1 1
10 XYP XYS XYP 1 1
11 XYP XYP XYP XYP XYP 1 1
12 BXP 0.904762 1
13 XYS XYP 0.904762 1
14 XYP XYS 0.904762 1
15 XYS XYS XYS 0.791667 0.969697
16 XYP XYP XYP AHR 0.590909 0.888889
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP AHR XYP XYP 0.590909 0.888889
19 AHR XYP XYP XYP 0.575758 0.888889
20 AHR XYS XYP XYP XYP 0.560606 0.888889
21 XYS XYS 0.511111 0.939394
22 XYP XYP TRS 0.508197 0.711111
23 XYP XYP GCV XYP 0.506494 0.888889
24 XYS XYS AZI 0.5 0.653061
25 XYP XYP XYP GCV 0.493506 0.888889
26 GCV XYP XYP XYS 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 XYP XYP AHR 0.484848 0.888889
30 XYS XYP AHR 0.484848 0.888889
31 AHR XYS XYS 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XYP XDN 0.438596 0.704545
34 XIF XYP 0.438596 0.659574
35 XYP XIF 0.438596 0.659574
36 XDN XYP 0.438596 0.704545
37 GCV XYP XYP 0.415584 0.888889
38 GLC GLC XYP 0.405797 0.911765
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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