Fluorine in PDB 1epo: Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme)

All present enzymatic activity of Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme):
3.4.23.22;

The structure of Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme), PDB code: 1epo was solved by B.Veerapandian, J.B.Cooper, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.700, 73.900, 45.800, 90.00, 110.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme) (pdb code 1epo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme), PDB code: 1epo:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme) within 5.0Å range: probe atom residue distance (Å) B Occ E:F327 b:0.2 occ:1.00 F1 E:2Z3327 0.0 0.2 1.0 CM E:2Z3327 1.3 0.7 1.0 F2 E:2Z3327 2.1 0.1 1.0 C7 E:2Z3327 2.3 0.0 1.0 CH E:2Z3327 2.3 0.1 1.0 N2 E:2Z3327 2.6 0.2 1.0 CA2 E:2Z3327 2.8 0.2 1.0 O4 E:2Z3327 2.8 0.2 1.0 C4 E:2Z3327 3.0 0.0 1.0 OH1 E:2Z3327 3.0 0.2 1.0 O3 E:2Z3327 3.3 0.0 1.0 N3 E:2Z3327 3.4 0.0 1.0 OH2 E:2Z3327 3.5 0.2 1.0 OG1 E:THR218 3.6 0.3 1.0 OD2 E:ASP215 3.6 0.2 1.0 CG1 E:2Z3327 3.6 0.1 1.0 CA1 E:2Z3327 4.0 0.0 1.0 CB2 E:2Z3327 4.2 0.1 1.0 N E:GLY76 4.3 0.1 1.0 CB1 E:2Z3327 4.4 0.1 1.0 O E:HOH630 4.5 0.4 1.0 CA E:GLY76 4.5 0.2 1.0 C8 E:2Z3327 4.7 0.1 1.0 CD E:2Z3327 4.8 0.3 1.0 CG E:ASP215 4.8 0.0 1.0 CB E:THR218 4.8 0.0 1.0 O E:GLY34 4.9 0.1 1.0 CD1 E:ILE301 5.0 0.1 1.0

Fluorine binding site 2 out of 2 in the Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Endothia Aspartic Proteinase (Endothiapepsin) Complexed with Cp-81,282 (Mor Phe Nle Chf Nme) within 5.0Å range: probe atom residue distance (Å) B Occ E:F327 b:0.1 occ:1.00 F2 E:2Z3327 0.0 0.1 1.0 CM E:2Z3327 1.3 0.7 1.0 F1 E:2Z3327 2.1 0.2 1.0 C7 E:2Z3327 2.3 0.0 1.0 CH E:2Z3327 2.4 0.1 1.0 N3 E:2Z3327 2.6 0.0 1.0 OH1 E:2Z3327 2.6 0.2 1.0 OH2 E:2Z3327 3.0 0.2 1.0 O E:GLY34 3.1 0.1 1.0 OD2 E:ASP215 3.2 0.2 1.0 O4 E:2Z3327 3.4 0.2 1.0 CA E:GLY34 3.6 0.2 1.0 C E:GLY34 3.6 0.1 1.0 CA2 E:2Z3327 3.7 0.2 1.0 N2 E:2Z3327 4.1 0.2 1.0 C8 E:2Z3327 4.1 0.1 1.0 CG E:ASP215 4.1 0.0 1.0 O E:HOH630 4.3 0.4 1.0 CE1 E:PHE189 4.4 0.2 1.0 OD1 E:ASP215 4.5 0.3 1.0 CD1 E:ILE213 4.6 0.0 1.0 N E:GLY34 4.6 0.0 1.0 OG1 E:THR218 4.6 0.3 1.0 N E:SER35 4.8 0.1 1.0 C4 E:2Z3327 4.8 0.0 1.0 CB2 E:2Z3327 4.9 0.1 1.0 CZ E:PHE189 5.0 0.1 1.0

B.Veerapandian, J.B.Cooper, A.Sali, T.L.Blundell, R.L.Rosati, B.W.Dominy, D.B.Damon, D.J.Hoover. Direct Observation By X-Ray Analysis of the Tetrahedral Intermediate of Aspartic Proteinases. Protein Sci. V. 1 322 1992.
ISSN: ISSN 0961-8368
PubMed: 1304340