Receptor
PDB id Resolution Class Description Source Keywords
1XE7 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCHAROMYCES REVEALS A NEW SEQUENCE FAMILY OF THE JELLY ROLL FOLD SACCHAROMYCES CEREVISIAE JELLY ROLL MOTIF CUPIN SUPERFAMILY STRUCTURAL GENOMICS YMS. CEREVISIAE UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCH CEREVISIAE REVEALS A NEW SEQUENCE FAMILY OF THE JEL FOLD PROTEIN SCI. V. 14 209 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:307;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
EDO A:304;
A:306;
B:301;
B:302;
B:305;
C:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GUN A:210;
B:210;
C:210;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
151.126 C5 H5 N5 O c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XE7 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCHAROMYCES REVEALS A NEW SEQUENCE FAMILY OF THE JELLY ROLL FOLD SACCHAROMYCES CEREVISIAE JELLY ROLL MOTIF CUPIN SUPERFAMILY STRUCTURAL GENOMICS YMS. CEREVISIAE UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCH CEREVISIAE REVEALS A NEW SEQUENCE FAMILY OF THE JEL FOLD PROTEIN SCI. V. 14 209 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GUN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GUN 1 1
2 DX4 0.531915 0.729167
3 B55 0.403846 0.877551
4 8IG 0.403846 0.877551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XE7; Ligand: GUN; 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: 1xe7.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xe7.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xe7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xe7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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