Chlorine in PDB 5jlc: Structure of CYP51 From the Pathogen Candida Glabrata

All present enzymatic activity of Structure of CYP51 From the Pathogen Candida Glabrata:
1.14.13.70;

The structure of Structure of CYP51 From the Pathogen Candida Glabrata, PDB code: 5jlc was solved by M.V.Keniya, M.Sabherwal, R.K.Wilson, A.A.Sagatova, J.D.A.Tyndall, B.C.Monk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.57 / 2.40
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	237.940, 237.940, 237.940, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.1

The structure of Structure of CYP51 From the Pathogen Candida Glabrata also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Structure of CYP51 From the Pathogen Candida Glabrata (pdb code 5jlc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of CYP51 From the Pathogen Candida Glabrata, PDB code: 5jlc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of CYP51 From the Pathogen Candida Glabrata


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of CYP51 From the Pathogen Candida Glabrata within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.2 occ:1.00 CL8 A:1YN602 0.0 0.2 1.0 C45 A:1YN602 1.7 0.6 1.0 C44 A:1YN602 2.7 96.3 1.0 C46 A:1YN602 2.7 97.2 1.0 O A:GLY311 3.0 48.9 1.0 C A:GLY311 3.2 43.0 1.0 CD1 A:ILE140 3.6 44.8 1.0 N A:VAL312 3.6 39.1 1.0 CMD A:HEM601 3.7 42.2 1.0 CA A:VAL312 3.9 40.7 1.0 CA A:GLY311 3.9 43.5 1.0 C43 A:1YN602 4.0 96.4 1.0 C47 A:1YN602 4.0 92.6 1.0 C2D A:HEM601 4.3 48.1 1.0 CG1 A:ILE140 4.4 45.0 1.0 CG2 A:VAL312 4.5 39.8 1.0 CG2 A:ILE140 4.5 40.8 1.0 C42 A:1YN602 4.5 96.4 1.0 C1D A:HEM601 4.7 46.0 1.0 CHD A:HEM601 4.7 45.3 1.0 CE2 A:PHE135 4.7 50.1 1.0 CB A:VAL312 4.9 39.7 1.0 C A:VAL312 4.9 40.3 1.0 N A:GLY315 5.0 50.8 1.0 CA A:GLY315 5.0 47.3 1.0

Chlorine binding site 2 out of 4 in the Structure of CYP51 From the Pathogen Candida Glabrata


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of CYP51 From the Pathogen Candida Glabrata within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.4 occ:1.00 CL9 A:1YN602 0.0 0.4 1.0 C43 A:1YN602 1.7 96.4 1.0 C44 A:1YN602 2.7 96.3 1.0 C42 A:1YN602 2.7 96.4 1.0 O33 A:1YN602 2.9 0.8 1.0 C34 A:1YN602 3.1 96.5 1.0 CZ A:PHE237 3.3 80.7 1.0 C36 A:1YN602 3.4 86.4 1.0 CZ A:PHE135 3.8 44.6 1.0 CA A:GLY315 3.8 47.3 1.0 CE2 A:PHE237 3.8 83.1 1.0 C45 A:1YN602 3.9 0.6 1.0 N A:GLY315 4.0 50.8 1.0 C47 A:1YN602 4.0 92.6 1.0 N37 A:1YN602 4.0 76.2 1.0 C32 A:1YN602 4.1 90.3 1.0 C A:MET314 4.2 52.4 1.0 O A:MET314 4.2 49.9 1.0 N41 A:1YN602 4.3 77.8 1.0 CG A:MET314 4.3 68.1 1.0 CE1 A:PHE237 4.4 80.5 1.0 C46 A:1YN602 4.5 97.2 1.0 O35 A:1YN602 4.5 85.5 1.0 CE2 A:PHE135 4.6 50.1 1.0 CE1 A:PHE135 4.6 48.3 1.0 CB A:MET314 4.7 45.8 1.0 O A:GLY311 4.8 48.9 1.0 C38 A:1YN602 5.0 72.7 1.0

Chlorine binding site 3 out of 4 in the Structure of CYP51 From the Pathogen Candida Glabrata


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of CYP51 From the Pathogen Candida Glabrata within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:86.4 occ:1.00 NH2 A:ARG180 3.5 48.5 1.0 NE A:ARG180 3.5 55.6 1.0 ND2 A:ASN188 3.5 43.2 1.0 CZ A:ARG180 3.8 59.7 1.0 CB A:ASN188 4.0 44.8 1.0 CG A:ASN188 4.3 47.9 1.0 OE2 A:GLU189 4.3 66.7 1.0 CD A:ARG180 4.6 46.8 1.0 CG A:ARG180 4.7 44.0 1.0 NH1 A:ARG180 5.0 52.1 1.0

Chlorine binding site 4 out of 4 in the Structure of CYP51 From the Pathogen Candida Glabrata


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of CYP51 From the Pathogen Candida Glabrata within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:69.0 occ:1.00 NZ A:LYS156 3.2 63.2 1.0 CE A:LYS156 3.8 53.0 1.0 CD A:LYS156 4.0 54.4 1.0 CG2 A:ILE473 4.3 39.0 1.0 CG2 A:ILE454 4.3 40.5 1.0 O A:CYS472 4.4 41.7 1.0 CE1 A:PHE451 4.4 38.7 1.0 CD1 A:PHE451 4.5 39.0 1.0 CA A:ILE473 4.6 35.7 1.0 NH1 A:ARG471 4.7 41.8 1.0 CB A:ILE473 4.8 41.3 1.0 O A:PHE451 5.0 46.5 1.0 CD A:ARG471 5.0 46.5 1.0

M.V.Keniya, M.Sabherwal, R.K.Wilson, A.A.Sagatova, M.A.Woods, F.U.Huschmann, J.D.A.Tyndall, B.C.Monk. Structures of CYP51 From the Pathogens Candida Glabrata and Candida Albicans To Be Published.