Receptor
PDB id Resolution Class Description Source Keywords
4UTV 2.4 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3-P SUCCINYLATED CPS1-PEPTIDE DANIO RERIO HYDROLASE REGULATORY ENZYME DEACYLASE MITOCHONDRIAL ROSSFOLD ZINC-BINDING
Ref.: CHEMICAL PROBING OF THE HUMAN SIRTUIN 5 ACTIVE SITE ITS SUBSTRATE ACYL SPECIFICITY AND PEPTIDE-BASED INHIBITORS. ANGEW.CHEM.INT.ED.ENGL. V. 53 10728 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL C:0;
Valid;
none;
Kd = 8.2 uM
n/a n/a
ZN B:1299;
A:1299;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
EPE B:1300;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V C:0;
Valid;
none;
Kd = 8.2 uM
n/a n/a
DMS B:1301;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
NA B:1302;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FLG 2.5 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3(S (NAPHTHYLTHIO)SUCCINYL-CPS1 PEPTIDE DANIO RERIO SIRTUIN 5 INHIBITOR DEACYLASE SIGNALING PROTEIN
Ref.: POTENT AND SELECTIVE INHIBITORS OF HUMAN SIRTUIN 5. J. MED. CHEM. V. 61 2460 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 6FLG Ki = 30.1 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
2 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
3 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
4 4UTV Kd = 8.2 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
2 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
3 6LJN - HIS PHE SER LYS SIN MCM n/a n/a
4 6LJK - BE2 SER ALA ILE LYS SER NIY GLY SET GUA n/a n/a
5 6LJM - SER LEU GLY LYS SIN MCM n/a n/a
6 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
7 6FLG Ki = 30.1 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
8 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
9 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
10 4UTV Kd = 8.2 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
4 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
5 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
6 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
10 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 6LJN - HIS PHE SER LYS SIN MCM n/a n/a
13 6LJK - BE2 SER ALA ILE LYS SER NIY GLY SET GUA n/a n/a
14 6LJM - SER LEU GLY LYS SIN MCM n/a n/a
15 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
16 6FLG Ki = 30.1 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
17 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
18 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
19 4UTV Kd = 8.2 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
20 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
21 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL; Similar ligands found: 2
No: Ligand Similarity coefficient
1 BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL 1.0000
2 BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V 0.9878
Ligand no: 2; Ligand: BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V; Similar ligands found: 2
No: Ligand Similarity coefficient
1 BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V 1.0000
2 BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL 0.9878
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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