Receptor
PDB id Resolution Class Description Source Keywords
3ROF 1.03 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE S. AUREUS PROTEIN TYROSINE PHOSPHAT STAPHYLOCOCCUS AUREUS PHOSPHATASE HYDROLASE
Ref.: STRUCTURE AND SUBSTRATE RECOGNITION OF THE STAPHYLO AUREUS PROTEIN TYROSINE PHOSPHATASE PTPA. J.MOL.BIOL. V. 413 24 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS HIS HIS HIS HIS GLY SER B:49;
 Valid;
 none;
 submit data
832.864 n/a O=C(N...
PO4 A:201;
A:202;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ROF 1.03 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE S. AUREUS PROTEIN TYROSINE PHOSPHAT STAPHYLOCOCCUS AUREUS PHOSPHATASE HYDROLASE
Ref.: STRUCTURE AND SUBSTRATE RECOGNITION OF THE STAPHYLO AUREUS PROTEIN TYROSINE PHOSPHATASE PTPA. J.MOL.BIOL. V. 413 24 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 3ROF - HIS HIS HIS HIS HIS GLY SER 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 28 families.
1 3ROF - HIS HIS HIS HIS HIS GLY SER n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3ROF - HIS HIS HIS HIS HIS GLY SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HIS HIS HIS HIS HIS GLY SER; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS HIS HIS HIS HIS GLY SER 1 1
2 GLY SER SER HIS HIS HIS HIS HIS 0.517241 0.941176
3 ALA HIS HIS ALA 0.493827 0.78
4 ALA HIS ALA 0.469136 0.74
5 LYS GLY HIS HIS HIS HIS HIS HIS 0.465909 0.795918
6 LYS HIS LYS 0.449438 0.807692
7 GLY HIS GLY 0.444444 0.875
8 ALA HIS HIS 0.439024 0.8
9 THR ASP HIS GLY ALA GLU 0.438095 0.807018
10 ASP HIS ASP ALA HIS ALA 0.4375 0.773585
11 GLN GLY HIS GLY GLU 0.418367 0.862745
12 HIS ILE ALA ALA 0.409091 0.730769
13 HIS HIS ALA SER PRO ARG LYS 0.401515 0.734375
Similar Ligands (3D)
Ligand no: 1; Ligand: HIS HIS HIS HIS HIS GLY SER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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