Receptor
PDB id Resolution Class Description Source Keywords
1S5P 1.96 Å EC: 3.5.1.- STRUCTURE AND SUBSTRATE BINDING PROPERTIES OF COBB, A SIR2 HOMOLOG PROTEIN DEACETYLASE FROM ESCHERICIA COLI. ESCHERICHIA COLI PROTEIN DEACETYLASE SIR2 HOMOLOGUE HYDROLASE
Ref.: STRUCTURE AND SUBSTRATE BINDING PROPERTIES OF COBB, A SIR2 HOMOLOG PROTEIN DEACETYLASE FROM ESCHERICIA COLI. J.MOL.BIOL. V. 337 731 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS GLY GLY ALA ALY ARG HIS ARG B:12;
Valid;
none;
Kd = 0.44 uM
954.129 n/a O=C([...
ZN A:1001;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S5P 1.96 Å EC: 3.5.1.- STRUCTURE AND SUBSTRATE BINDING PROPERTIES OF COBB, A SIR2 HOMOLOG PROTEIN DEACETYLASE FROM ESCHERICIA COLI. ESCHERICHIA COLI PROTEIN DEACETYLASE SIR2 HOMOLOGUE HYDROLASE
Ref.: STRUCTURE AND SUBSTRATE BINDING PROPERTIES OF COBB, A SIR2 HOMOLOG PROTEIN DEACETYLASE FROM ESCHERICIA COLI. J.MOL.BIOL. V. 337 731 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 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 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
6 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
13 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
14 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY GLY ALA ALY ARG HIS ARG 1 1
2 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.826087 0.965517
3 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.686441 0.966102
4 GLY ALA ARG ALA HIS SER SER 0.532258 0.873016
5 THR SER ARG HIS LYS ALY LEU MET ALA 0.531915 0.811594
6 ARG HIS LYS FDL 0.528986 0.743243
7 ALA LYS PHE ARG HIS ASP 0.511628 0.868852
8 ACE ARG HIS ALY ALY MCM 0.510949 0.743243
9 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.51049 0.873016
10 LYS HIS LYS 0.509259 0.758621
11 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.507353 0.84375
12 ARG HIS LYS ALY LEU MET PHE LYS 0.503448 0.815385
13 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.489209 0.887097
14 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.482014 0.870968
15 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.477941 0.828125
16 THR ASP HIS GLY ALA GLU 0.46875 0.777778
17 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.46729 0.741379
18 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.466216 0.809524
19 LYS SER HIS GLN GLU 0.464567 0.746032
20 ACE ARG HIS LYS ALY MCM 0.457516 0.733333
21 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.457143 0.901639
22 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.453947 0.808824
23 ASP ALA GLU PHE ARG HIS ASP 0.451852 0.852459
24 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.446541 0.830769
25 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.443662 0.863636
26 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.442857 0.868852
27 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.435897 0.830769
28 LYS ARG LYS 0.435185 0.724138
29 ALA HIS ALA LYS ALA 0.434426 0.758621
30 LYS ARG ARG ARG HIS PRO SER GLY 0.431507 0.768116
31 ALA ARG MLZ SER THR GLY GLY ALY 0.425532 0.731343
32 GLN GLY HIS GLY GLU 0.422764 0.810345
33 ALA ARG MLY SER THR GLY GLY ALY 0.422535 0.690141
34 ALA ARG M3L SER THR GLY GLY ALY 0.422535 0.671233
35 ASP ALA GLU PHE ARG HIS ASP SER 0.42069 0.852459
36 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.419355 0.857143
37 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.418919 0.746032
38 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.416667 0.870968
39 GLU LYS VAL HIS VAL GLN 0.413534 0.813559
40 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.413333 0.850746
41 LYS ARG ARG ARG HIS PRO SER 0.410959 0.776119
42 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.40625 0.808824
43 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.404908 0.833333
44 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.404908 0.724638
45 GLY GLY LYS LYS LYS TYR ARG LEU 0.404412 0.753846
46 GLY GLY ARG LYS LYS TYR LYS LEU 0.404412 0.753846
47 GLY GLY LYS LYS ARG TYR LYS LEU 0.404412 0.753846
48 HIS HIS ALA SER PRO ARG LYS 0.403846 0.753623
49 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.401316 0.676471
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S5P; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 1s5p.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GG6 APL 0.01851 0.41384 10.3093
2 5UFQ GNP 0.003291 0.42698 14.7541
3 2CXG GLC GLC 0.001588 0.46837 14.8936
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