Receptor
PDB id Resolution Class Description Source Keywords
2V8G 2.5 Å EC: 3.5.1.6 CRYSTAL STRUCTURE OF BETA-ALANINE SYNTHASE FROM SACCHAROMYCES KLUYVERI IN COMPLEX WITH THE PRODUCT BETA- A LANINE SACCHAROMYCES KLUYVERI HYDROLASE DI-ZINC CENTER AMIDOHYDROLASE ALPHA AND BETA PR
Ref.: CRYSTAL STRUCTURES OF YEAST -ALANINE SYNTHASE COMPL REVEAL THE MODE OF SUBSTRATE BINDING AND LARGE SCAL CLOSURE MOVEMENTS. J.BIOL.CHEM. V. 282 36037 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAL A:600;
D:600;
Valid;
Valid;
none;
none;
submit data
89.093 C3 H7 N O2 C(CN)...
BCN A:601;
B:601;
C:601;
D:601;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
163.172 C6 H13 N O4 C(CO)...
ZN A:500;
A:501;
B:500;
B:501;
C:500;
C:501;
D:500;
D:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VL1 2.15 Å EC: 3.5.1.6 CRYSTAL STRUCTURE OF BETA-ALANINE SYNTHASE FROM SACCHAROMYCE IN COMPLEX WITH A GLY-GLY PEPTIDE SACCHAROMYCES KLUYVERI HYDROLASE DI-ZINC CENTER AMIDOHYDROLASE ALPHA AND BETA PRCOMPLEX WITH GLYCINE-GLYCINE
Ref.: A RECRUITED PROTEASE IS INVOLVED IN CATABOLISM OF PYRIMIDINES. J.MOL.BIOL. V. 379 243 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V8G - BAL C3 H7 N O2 C(CN)C(=O)....
2 2VL1 Ki = 45 mM GLY GLY n/a n/a
3 2V8H - URP C4 H8 N2 O3 C(CNC(=O)N....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V8G - BAL C3 H7 N O2 C(CN)C(=O)....
2 2VL1 Ki = 45 mM GLY GLY n/a n/a
3 2V8H - URP C4 H8 N2 O3 C(CNC(=O)N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V8G - BAL C3 H7 N O2 C(CN)C(=O)....
2 2VL1 Ki = 45 mM GLY GLY n/a n/a
3 2V8H - URP C4 H8 N2 O3 C(CNC(=O)N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BAL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 BAL 1 1
2 ABU 0.631579 0.833333
3 GLY 0.5625 0.708333
4 3OH 0.5 0.6
5 ACA 0.5 0.769231
6 011 0.48 0.740741
7 SLP 0.473684 0.625
8 8AC 0.461538 0.740741
9 HOZ 0.423077 0.714286
10 URP 0.4 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VL1; Ligand: GLY GLY; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2vl1.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4PXD 1AL 42.615
2 4PXE GLV 45.3488
Pocket No.: 2; Query (leader) PDB : 2VL1; Ligand: GLY GLY; 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: 2vl1.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VL1; Ligand: GLY GLY; 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: 2vl1.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VL1; Ligand: GLY GLY; 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: 2vl1.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VL1; Ligand: GLY GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2vl1.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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