Receptor
PDB id Resolution Class Description Source Keywords
6HA9 2 Å EC: 3.2.1.151 STRUCTURE OF AN ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS WITH XXXG(2F)-BETA-DNP CELLVIBRIO JAPONICUS GLYCOSIDE HYDROLASE ENDO-BETA-1 4-GLUCANASE XYLOGLUCAN H
Ref.: SYNTHESIS AND APPLICATION OF A HIGHLY BRANCHED, MECHANISM-BASED 2-DEOXY-2-FLUORO-OLIGOSACCHARIDE IN OF ENDO-XYLOGLUCANASES. ORG. BIOMOL. CHEM. V. 16 8732 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
A:501;
B:504;
B:502;
B:501;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL B:512;
A:508;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
1PE B:513;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
NFG BGC BGC XYS BGC XYS C:1;
 Valid;
 none;
 submit data
1102.92 n/a FC1C(...
NFG BGC BGC XYS BGC XYS XYS D:1;
 Valid;
 none;
 submit data
1235.04 n/a FC1C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OYE 1.9 Å EC: 3.2.1.151 GH5 ENDO-XYLOGLUCANASE FROM CELLVIBRIO JAPONICUS CELLVIBRIO JAPONICUS ENDO-XYLOGLUCANASE HYDROLASE
Ref.: IN VITRO AND IN VIVO CHARACTERIZATION OF THREECELLV JAPONICUSGLYCOSIDE HYDROLASE FAMILY 5 MEMBERS REVEA XYLOGLUCAN BACKBONE-CLEAVING FUNCTIONS. BIOTECHNOL BIOFUELS V. 11 45 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
2 6HA9 - NFG BGC BGC XYS BGC XYS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
2 6HA9 - NFG BGC BGC XYS BGC XYS n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4YHG - BGC BGC BGC n/a n/a
2 4W8B - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2JEQ - BGC BGC BGC XYS BGC XYS GAL n/a n/a
4 5OYE - BGC BGC BGC XYS BGC XYS n/a n/a
5 6HA9 - NFG BGC BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NFG BGC BGC XYS BGC XYS; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 NFG BGC BGC XYS BGC XYS 1 1
2 NFG BGC BGC XYS BGC XYS XYS 0.927083 1
3 MBF NIN BMA BMA 0.765957 0.96875
4 DCB 0.75 0.96875
5 NFG 0.536082 0.953125
6 M2F 0.536082 0.953125
7 RCB 0.439252 0.828125
8 NPJ 0.433962 0.828125
Ligand no: 2; Ligand: NFG BGC BGC XYS BGC XYS XYS; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 NFG BGC BGC XYS BGC XYS XYS 1 1
2 NFG BGC BGC XYS BGC XYS 0.927083 1
3 MBF NIN BMA BMA 0.704082 0.96875
4 DCB 0.6875 0.96875
5 NFG 0.515152 0.953125
6 M2F 0.515152 0.953125
Similar Ligands (3D)
Ligand no: 1; Ligand: NFG BGC BGC XYS BGC XYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: NFG BGC BGC XYS BGC XYS XYS; 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 : 5OYE; Ligand: BGC BGC BGC XYS BGC XYS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5oye.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZT BGC BGC BGC BGC 40.404
APoc FAQ
Feedback