Receptor
PDB id Resolution Class Description Source Keywords
5O4Z 1.7 Å EC: 7.-.-.- STRUCTURE OF THE INACTIVE T.MARITIMA PDE (TM1595) D80N D154N WITH SUBSTRATE 5'-PAPA THERMOTOGA MARITIMA PHOSPHODIESTERASE HYDROLASE
Ref.: STRUCTURAL AND BIOPHYSICAL ANALYSIS OF THE SOLUBLE DHH/DHHA1-TYPE PHOSPHODIESTERASE TM1595 FROM THERMO MARITIMA. STRUCTURE V. 25 1887 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:403;
A:404;
A:406;
A:407;
A:408;
A:405;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
A A A:401;
 Valid;
 none;
 Kd = 860 nM
n/a n/a
CL A:411;
A:412;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
GOL A:409;
A:410;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O58 1.55 Å EC: 7.-.-.- STRUCTURE OF THE INACTIVE T.MARITIMA PDE (TM1595) D80N D154N WITH SUBSTRATE 5'-PAPG THERMOTOGA MARITIMA (STRAIN ATCC 43589DSM 3109 / JCM 10099) PHOSPHODIESTERASE HYDROLASE
Ref.: STRUCTURAL AND BIOPHYSICAL ANALYSIS OF THE SOLUBLE DHH/DHHA1-TYPE PHOSPHODIESTERASE TM1595 FROM THERMO MARITIMA. STRUCTURE V. 25 1887 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5O58 Kd = 191 nM A G n/a n/a
2 5O1U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5O70 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5O4Z Kd = 860 nM A A n/a n/a
5 5O7F - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5O58 Kd = 191 nM A G n/a n/a
2 5O1U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5O70 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5O4Z Kd = 860 nM A A n/a n/a
5 5O7F - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5O58 Kd = 191 nM A G n/a n/a
2 5O1U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5O70 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5O4Z Kd = 860 nM A A n/a n/a
5 5O7F - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A A ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: A A ; Similar ligands found: 7
No: Ligand Similarity coefficient
1 A A 1.0000
2 G A 0.9846
3 A G 0.9790
4 G G 0.9637
5 C G 0.9142
6 2BA 0.8887
7 C U 0.8729
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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