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
CA A:203;
A:204;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
XYP GCU B:1;
Valid;
none;
submit data
309.247 n/a O=C([...
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 34 families.
1 4QB6 - XYP GCU 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 32 families.
1 4QB6 - XYP GCU 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 19 families.
1 4QB6 - XYP GCU n/a n/a
2 4QB2 - GCU C6 H10 O7 [C@@H]1([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP GCU; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP GCU 1 1
2 XYP XYP 0.473684 0.916667
3 ADA ADA ADA 0.457143 0.868421
4 ADA ADA 0.4375 0.710526
5 XYP XYP XYP XYP 0.421875 0.944444
6 ADA ADA ADA ADA ADA ADA 0.411765 0.736842
7 ADA ADA ADA ADA 0.411765 0.736842
8 ADA ADA ADA ADA ADA 0.411765 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP GCU; Similar ligands found: 39
No: Ligand Similarity coefficient
1 GLC IFM 0.9200
2 GLC GLC 0.9176
3 BGC GLC 0.9108
4 GLC 7LQ 0.9107
5 NOJ GLC 0.9084
6 BDF GLC 0.9061
7 RR7 GLC 0.9019
8 GLC DMJ 0.8994
9 F9W 0.8992
10 BGC BGC 0.8953
11 RZM 0.8941
12 GLF B8D 0.8934
13 SER MAN 0.8931
14 GLC BGC 0.8910
15 RAM GAD 0.8890
16 GDQ GLC 0.8877
17 MAN IFM 0.8869
18 MYG 0.8855
19 7D1 MAN 0.8835
20 EBQ 0.8831
21 DGO Z61 0.8828
22 DGO MAN 0.8815
23 TW7 GLC 0.8806
24 GAL GLA 0.8803
25 FRU GLC 0.8786
26 2M8 0.8779
27 MAN GLC 0.8765
28 J5B 0.8755
29 9E3 0.8754
30 SRE 0.8730
31 DIF 0.8705
32 7NU 0.8681
33 GLC Z9N 0.8670
34 MAN G63 0.8667
35 BQZ 0.8662
36 MAN MNM 0.8647
37 9FN 0.8604
38 MBG GLA 0.8581
39 GAL GAL 0.8559
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QB6; Ligand: XYP GCU; 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: 4qb6.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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