Receptor
PDB id Resolution Class Description Source Keywords
4QB6 1.35 Å EC: 3.2.1.8 STRUCTURE OF CBM35 IN COMPLEX WITH ALDOURONIC ACID PAENIBACILLUS BARCINONENSIS BETA-STRUCTURE CARBOHYDRATE BINDING MODULE CALCIUM BINDINGWALL SUGAR BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF GLUCURONOXYLAN-SPECIFIC XYN3 ITS ATTACHED CBM35 DOMAIN GIVES INSIGHTS INTO THE R MODULARITY IN SPECIFICITY. J.BIOL.CHEM. V. 289 31088 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCU XYP A:201;
Valid;
none;
submit data
309.247 n/a O=C([...
CA A:203;
A:204;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QB6 1.35 Å EC: 3.2.1.8 STRUCTURE OF CBM35 IN COMPLEX WITH ALDOURONIC ACID PAENIBACILLUS BARCINONENSIS BETA-STRUCTURE CARBOHYDRATE BINDING MODULE CALCIUM BINDINGWALL SUGAR BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF GLUCURONOXYLAN-SPECIFIC XYN3 ITS ATTACHED CBM35 DOMAIN GIVES INSIGHTS INTO THE R MODULARITY IN SPECIFICITY. J.BIOL.CHEM. V. 289 31088 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4QB6 - GCU XYP n/a n/a
2 4QB2 - GCU C6 H10 O7 [C@@H]1([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 4QB6 - GCU XYP n/a n/a
2 4QB2 - GCU C6 H10 O7 [C@@H]1([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4QB6 - GCU XYP n/a n/a
2 4QB2 - GCU C6 H10 O7 [C@@H]1([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GCU XYP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GCU XYP 1 1
2 ADA ADA 0.4375 0.710526
3 GTR ADA ADA 0.411765 0.736842
4 ADA ADA ADA 0.411765 0.736842
5 ADA ADA ADA ADA ADA ADA 0.411765 0.736842
6 ADA ADA ADA ADA 0.411765 0.736842
7 ADA ADA ADA ADA ADA 0.411765 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QB6; Ligand: GCU XYP; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 4qb6.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1G2N EPH 0.01253 0.42744 None
2 5H56 TYD 0.03064 0.40071 None
3 5H56 ADP 0.03064 0.40071 None
4 3Q60 ATP 0.01372 0.4015 2.43902
5 3EPW JMQ 0.008353 0.40913 3.04878
6 1S7N COA 0.00765 0.44553 3.65854
7 4P53 NAI 0.01721 0.41591 4.26829
8 4KGD FAD 0.03036 0.41133 4.26829
9 3W9F I3P 0.006718 0.40892 4.26829
10 5X1M THG 0.02682 0.40865 4.26829
11 2YBQ SAH 0.004601 0.42494 5.4878
12 2NSX IFM 0.01973 0.4002 6.09756
13 3HBF UDP 0.02106 0.41844 6.70732
14 2AR6 NAG MAN 0.01882 0.40849 6.70732
15 2AUY NAG MAN MMA 0.02015 0.4049 6.70732
16 2AR6 NAG MAN MAN MAN NAG 0.02469 0.40281 6.70732
17 1WDK NAD 0.03112 0.40903 9.14634
18 3ZEU AGS 0.01357 0.40713 10.3659
19 3H0L ADP 0.003315 0.43842 10.9756
20 4IJP 1EH 0.01143 0.43016 10.9756
21 3VC1 SAH 0.04884 0.40187 11.5854
22 5H9P TD2 0.01597 0.40001 11.5854
23 1XHL NDP 0.04305 0.40945 13.4146
24 2J62 GSZ 0.02645 0.40373 14.0244
25 2OBD PCW 0.03175 0.40031 16.4634
26 5AWQ GLC GLC 0.00007061 0.50047 29.2683
27 5X7Q GLC GLC 0.00002426 0.51803 39.0244
28 5X7Q GLC 0.00107 0.44834 39.0244
29 5F7U GLC GLC 0.0006837 0.41575 39.0244
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