Receptor
PDB id Resolution Class Description Source Keywords
3W6X 2.3 Å EC: 2.3.1.- YEAST N-ACETYLTRANSFERASE MPR1 IN COMPLEX WITH CHOP SACCHAROMYCES CEREVISIAE DETOXIFICATION OF L-AZETIDINE-2-CARBOXYLATE ANTIOXIDANT ENZTRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE YEAST N-ACETYLTRANSFERASE MPR1 INVOLVED IN OXIDATIVE STRE TOLERANCE VIA PROLINE METABOLISM PROC.NATL.ACAD.SCI.USA V. 110 11821 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL H:302;
E:302;
D:302;
G:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
P6G L:301;
J:301;
C:302;
F:302;
G:301;
E:301;
B:302;
A:302;
K:301;
H:301;
I:301;
D:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
282.331 C12 H26 O7 C(COC...
HZP A:301;
C:301;
B:301;
F:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
131.13 C5 H9 N O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W6X 2.3 Å EC: 2.3.1.- YEAST N-ACETYLTRANSFERASE MPR1 IN COMPLEX WITH CHOP SACCHAROMYCES CEREVISIAE DETOXIFICATION OF L-AZETIDINE-2-CARBOXYLATE ANTIOXIDANT ENZTRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE YEAST N-ACETYLTRANSFERASE MPR1 INVOLVED IN OXIDATIVE STRE TOLERANCE VIA PROLINE METABOLISM PROC.NATL.ACAD.SCI.USA V. 110 11821 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 3W6X - HZP C5 H9 N O3 C1[C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3W6X - HZP C5 H9 N O3 C1[C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3W6X - HZP C5 H9 N O3 C1[C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HZP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HZP 1 1
2 HYP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W6X; Ligand: HZP; 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: 3w6x.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3W6X; Ligand: HZP; 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: 3w6x.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3W6X; Ligand: HZP; 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: 3w6x.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3W6X; Ligand: HZP; 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: 3w6x.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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