Fluorine in PDB 3ev4: Crystal Structure of Ribonuclease A in 50% Trifluoroethanol

All present enzymatic activity of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol:
3.1.27.5;

The structure of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol, PDB code: 3ev4 was solved by M.Dechene, G.Wink, M.Smith, P.Swartz, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.12 / 1.93
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.556, 32.827, 72.515, 90.00, 90.59, 90.00
R / Rfree (%)	19 / 21.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol (pdb code 3ev4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol, PDB code: 3ev4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F903 b:95.1 occ:1.00 F1 A:ETF903 0.0 95.1 1.0 C1 A:ETF903 1.3 94.9 1.0 F2 A:ETF903 2.2 94.7 1.0 F3 A:ETF903 2.2 94.9 1.0 C2 A:ETF903 2.4 94.8 1.0 O A:ETF903 2.6 94.7 1.0 O A:HOH936 3.0 36.3 1.0 O A:HOH940 3.6 27.6 1.0 O A:HOH939 3.6 20.2 1.0 O A:VAL118 3.8 17.4 1.0 OE1 A:GLN11 4.1 36.3 1.0 NZ A:LYS7 4.3 40.7 1.0 CE A:LYS7 4.4 37.1 1.0 ND1 A:HIS119 4.4 24.5 1.0 CD A:LYS7 4.4 35.5 1.0 CA A:HIS119 4.8 17.2 1.0 CB A:HIS119 4.8 19.7 1.0 C A:VAL118 4.9 17.3 1.0 CD A:GLN11 5.0 34.1 1.0

Fluorine binding site 2 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F903 b:94.7 occ:1.00 F2 A:ETF903 0.0 94.7 1.0 C1 A:ETF903 1.3 94.9 1.0 F1 A:ETF903 2.2 95.1 1.0 F3 A:ETF903 2.2 94.9 1.0 C2 A:ETF903 2.3 94.8 1.0 O A:HOH939 2.7 20.2 1.0 ND1 A:HIS119 2.8 24.5 1.0 O A:ETF903 3.4 94.7 1.0 CE1 A:HIS119 3.6 25.8 1.0 O A:HOH936 3.9 36.3 1.0 CG A:HIS119 4.0 23.3 1.0 CB A:HIS119 4.3 19.7 1.0 O A:HOH961 4.5 46.2 1.0 CA A:HIS119 4.5 17.2 1.0 OE1 A:GLN11 4.5 36.3 1.0 NE2 A:HIS119 4.8 26.2 1.0 O A:VAL118 4.8 17.4 1.0 N A:PHE120 4.9 14.6 1.0

Fluorine binding site 3 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F903 b:94.9 occ:1.00 F3 A:ETF903 0.0 94.9 1.0 C1 A:ETF903 1.3 94.9 1.0 F1 A:ETF903 2.2 95.1 1.0 F2 A:ETF903 2.2 94.7 1.0 C2 A:ETF903 2.3 94.8 1.0 ND1 A:HIS119 2.9 24.5 1.0 CB A:HIS119 3.3 19.7 1.0 O A:ETF903 3.4 94.7 1.0 CG A:HIS119 3.4 23.3 1.0 O A:VAL118 3.7 17.4 1.0 CE1 A:HIS119 3.9 25.8 1.0 CA A:HIS119 3.9 17.2 1.0 O A:HOH939 4.0 20.2 1.0 O A:HOH936 4.3 36.3 1.0 C A:VAL118 4.5 17.3 1.0 CD2 A:HIS119 4.6 24.0 1.0 O A:HOH940 4.7 27.6 1.0 N A:HIS119 4.7 16.1 1.0 NE2 A:HIS119 4.8 26.2 1.0

Fluorine binding site 4 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F905 b:56.7 occ:1.00 F1 A:ETF905 0.0 56.7 1.0 C1 A:ETF905 1.3 55.6 1.0 F2 A:ETF905 2.2 58.4 1.0 F3 A:ETF905 2.2 55.8 1.0 C2 A:ETF905 2.3 54.7 1.0 O A:ETF905 2.7 51.7 1.0 O A:HOH974 2.8 22.1 1.0 N A:ALA64 3.7 12.8 1.0 O A:HOH963 3.8 31.3 1.0 C A:VAL63 4.1 12.8 1.0 CA A:VAL63 4.3 11.0 1.0 CB A:ALA64 4.3 14.1 1.0 CA A:ALA64 4.3 13.1 1.0 O A:ASN62 4.6 12.6 1.0 O A:VAL63 4.9 12.7 1.0 N A:VAL63 4.9 11.4 1.0 C A:ASN62 5.0 14.6 1.0

Fluorine binding site 5 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F905 b:58.4 occ:1.00 F2 A:ETF905 0.0 58.4 1.0 C1 A:ETF905 1.3 55.6 1.0 F1 A:ETF905 2.2 56.7 1.0 F3 A:ETF905 2.2 55.8 1.0 C2 A:ETF905 2.3 54.7 1.0 O A:ETF905 3.0 51.7 1.0 O A:HOH988 3.7 54.7 1.0 OD1 A:ASN62 4.4 17.0 1.0 CB A:THR70 4.8 17.4 1.0 CG2 A:THR70 4.8 21.9 1.0 O A:HOH974 4.9 22.1 1.0

Fluorine binding site 6 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F905 b:55.8 occ:1.00 F3 A:ETF905 0.0 55.8 1.0 C1 A:ETF905 1.3 55.6 1.0 F1 A:ETF905 2.2 56.7 1.0 F2 A:ETF905 2.2 58.4 1.0 C2 A:ETF905 2.3 54.7 1.0 OD1 A:ASN62 3.4 17.0 1.0 O A:ASN62 3.5 12.6 1.0 O A:ETF905 3.6 51.7 1.0 CG A:ASN62 3.8 15.0 1.0 O A:HOH963 3.8 31.3 1.0 O A:HOH973 3.9 55.7 1.0 C A:ASN62 4.0 14.6 1.0 O A:HOH1013 4.1 65.4 1.0 CB A:ASN62 4.2 15.5 1.0 O A:HOH988 4.2 54.7 1.0 O A:HOH974 4.3 22.1 1.0 N A:VAL63 4.4 11.4 1.0 CA A:VAL63 4.4 11.0 1.0 ND2 A:ASN62 4.5 12.1 1.0 C A:VAL63 4.7 12.8 1.0 CA A:ASN62 4.8 13.9 1.0 N A:ALA64 4.9 12.8 1.0 O A:HOH964 4.9 35.7 1.0

Fluorine binding site 7 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F923 b:99.7 occ:1.00 F1 A:ETF923 0.0 99.7 1.0 C1 A:ETF923 1.3 99.4 1.0 F2 A:ETF923 2.2 99.5 1.0 F3 A:ETF923 2.2 99.4 1.0 C2 A:ETF923 2.3 99.3 1.0 O A:ETF923 3.5 98.9 1.0 ND2 A:ASN67 4.8 22.3 1.0 CB A:ASN67 5.0 19.4 1.0

Fluorine binding site 8 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F923 b:99.5 occ:1.00 F2 A:ETF923 0.0 99.5 1.0 C1 A:ETF923 1.3 99.4 1.0 F1 A:ETF923 2.2 99.7 1.0 F3 A:ETF923 2.2 99.4 1.0 C2 A:ETF923 2.3 99.3 1.0 O A:ETF923 2.6 98.9 1.0 ND2 A:ASN67 2.9 22.3 1.0 CB A:ASN67 3.2 19.4 1.0 CG A:ASN67 3.5 20.3 1.0 O A:HOH957 4.0 40.8 1.0 CA A:ASN67 4.6 19.2 1.0 OD1 A:ASN67 4.7 19.2 1.0

Fluorine binding site 9 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F923 b:99.4 occ:1.00 F3 A:ETF923 0.0 99.4 1.0 C1 A:ETF923 1.3 99.4 1.0 F2 A:ETF923 2.2 99.5 1.0 F1 A:ETF923 2.2 99.7 1.0 C2 A:ETF923 2.3 99.3 1.0 O A:ETF923 3.1 98.9 1.0 CB A:ASN67 3.7 19.4 1.0 O A:HOH957 4.4 40.8 1.0 ND2 A:ASN67 4.6 22.3 1.0 CA A:ASN67 4.7 19.2 1.0 CG A:ASN67 4.7 20.3 1.0

Fluorine binding site 10 out of 18 in the Crystal Structure of Ribonuclease A in 50% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Ribonuclease A in 50% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:91.8 occ:1.00 F1 B:ETF901 0.0 91.8 1.0 C1 B:ETF901 1.3 92.4 1.0 F2 B:ETF901 2.2 93.0 1.0 F3 B:ETF901 2.2 92.7 1.0 C2 B:ETF901 2.3 92.2 1.0 O B:ETF901 2.6 92.2 1.0 N B:SER123 3.0 19.4 1.0 CB B:ALA122 3.2 16.9 1.0 O B:SER123 3.3 25.3 1.0 O B:HOH1039 3.3 37.1 0.5 CA B:ALA122 3.4 17.1 1.0 C B:ALA122 3.7 17.3 1.0 OG B:SER123 3.8 27.5 1.0 CA B:SER123 4.0 22.4 1.0 C B:SER123 4.0 23.3 1.0 O B:HOH992 4.2 35.4 1.0 O B:HOH1009 4.2 22.9 0.5 CB B:SER123 4.4 22.8 1.0 O B:HOH1006 4.7 44.2 1.0 O B:ETF902 4.8 78.7 1.0 N B:ALA122 4.8 16.8 1.0 O B:ALA122 4.9 15.3 1.0 O B:ASP121 5.0 15.6 1.0

M.Dechene, G.Wink, M.Smith, P.Swartz, C.Mattos. Multiple Solvent Crystal Structures of Ribonuclease A: An Assessment of the Method Proteins V. 76 861 2009.
ISSN: ISSN 0887-3585
PubMed: 19291738
DOI: 10.1002/PROT.22393