Chlorine in PDB 5jfy: Crystal Structure of A Plant Cytidine Deaminase

The structure of Crystal Structure of A Plant Cytidine Deaminase, PDB code: 5jfy was solved by M.W.Taylor, J.E.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.64 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.808, 99.808, 143.061, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.4

The structure of Crystal Structure of A Plant Cytidine Deaminase also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Plant Cytidine Deaminase (pdb code 5jfy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Plant Cytidine Deaminase, PDB code: 5jfy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Plant Cytidine Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Plant Cytidine Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.9 occ:1.00 HD22 A:ASN69 2.4 31.7 1.0 H A:ALA81 2.4 27.3 1.0 HG2 C:LYS130 2.8 42.0 1.0 HB3 A:HIS80 2.8 24.9 1.0 HB2 A:PHE53 2.9 27.8 1.0 HB2 A:ASN69 3.2 37.8 1.0 HA A:HIS80 3.2 31.9 1.0 ND2 A:ASN69 3.2 26.4 1.0 N A:ALA81 3.3 22.8 1.0 HD3 C:LYS130 3.4 43.5 1.0 HE2 C:LYS130 3.4 44.2 1.0 HB3 A:PHE53 3.4 27.8 1.0 CB A:HIS80 3.5 20.8 1.0 CB A:PHE53 3.5 23.2 1.0 HB3 C:LYS130 3.5 44.1 1.0 CG C:LYS130 3.6 35.0 1.0 CG A:HIS80 3.6 28.6 1.0 HB3 A:ALA81 3.7 31.2 1.0 HB2 A:ALA81 3.7 31.2 1.0 CA A:HIS80 3.7 26.6 1.0 HD21 A:ASN69 3.7 31.7 1.0 O C:HOH321 3.8 25.7 1.0 CD C:LYS130 3.9 36.3 1.0 ND1 A:HIS80 3.9 26.7 1.0 HD2 A:PHE53 3.9 36.3 1.0 CG A:PHE53 3.9 32.2 1.0 CB A:ASN69 4.0 31.5 1.0 C A:HIS80 4.0 19.5 1.0 CB C:LYS130 4.0 36.7 1.0 CB A:ALA81 4.1 26.0 1.0 CG A:ASN69 4.1 29.9 1.0 CD2 A:PHE53 4.1 30.3 1.0 CE C:LYS130 4.1 36.8 1.0 HA C:LYS130 4.2 43.0 1.0 OE1 A:GLU82 4.2 37.7 1.0 HA A:ASN69 4.3 27.8 1.0 CA A:ALA81 4.3 28.9 1.0 CD2 A:HIS80 4.3 31.1 1.0 HB2 A:HIS80 4.3 24.9 1.0 HG3 C:LYS130 4.4 42.0 1.0 H A:GLU82 4.6 29.4 1.0 ZN A:ZN202 4.6 30.2 1.0 HD2 A:HIS80 4.6 37.3 1.0 CA A:ASN69 4.6 23.2 1.0 CE1 A:HIS80 4.6 30.9 1.0 HZ3 C:LYS130 4.7 52.5 1.0 CA C:LYS130 4.7 35.8 1.0 HB3 A:ASN69 4.7 37.8 1.0 CD1 A:PHE53 4.8 18.9 1.0 HD2 C:LYS130 4.8 43.5 1.0 HE3 C:LYS130 4.8 44.2 1.0 H A:ASN69 4.8 27.6 1.0 NE2 A:HIS80 4.8 28.0 1.0 HA A:ALA81 4.9 34.7 1.0 HB2 C:LYS130 4.9 44.1 1.0 CA A:PHE53 4.9 23.7 1.0 O A:HOH342 4.9 43.1 1.0 NZ C:LYS130 5.0 43.7 1.0 HB1 A:ALA81 5.0 31.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Plant Cytidine Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Plant Cytidine Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:29.7 occ:1.00 H B:ALA81 2.4 37.4 1.0 HD22 B:ASN69 2.6 37.7 1.0 HB3 B:HIS80 2.8 29.4 1.0 HB2 B:PHE53 2.9 39.3 1.0 HB2 B:ASN69 3.1 38.8 1.0 HA B:HIS80 3.2 35.0 1.0 N B:ALA81 3.3 31.1 1.0 ND2 B:ASN69 3.4 31.4 1.0 HB3 B:PHE53 3.4 39.3 1.0 CB B:HIS80 3.4 24.5 1.0 CB B:PHE53 3.5 32.8 1.0 CG B:HIS80 3.6 31.5 1.0 CA B:HIS80 3.7 29.2 1.0 HB3 B:ALA81 3.7 36.3 1.0 HB2 B:ALA81 3.8 36.3 1.0 HD21 B:ASN69 3.9 37.7 1.0 ND1 B:HIS80 3.9 29.5 1.0 O B:HOH333 3.9 24.6 1.0 CG B:PHE53 3.9 32.5 1.0 CB B:ASN69 4.0 32.3 1.0 C B:HIS80 4.0 30.1 1.0 HD2 B:PHE53 4.0 39.6 1.0 CB B:ALA81 4.1 30.2 1.0 OE1 B:GLU82 4.2 44.3 1.0 CD2 B:PHE53 4.2 33.0 1.0 CG B:ASN69 4.2 34.0 1.0 CD2 B:HIS80 4.2 29.1 1.0 HB2 B:HIS80 4.3 29.4 1.0 CA B:ALA81 4.3 32.9 1.0 HA B:ASN69 4.4 33.6 1.0 HD2 B:HIS80 4.5 35.0 1.0 H B:GLU82 4.5 33.5 1.0 CE1 B:HIS80 4.6 25.9 1.0 HB3 B:ASN69 4.7 38.8 1.0 ZN B:ZN202 4.7 33.6 1.0 CA B:ASN69 4.7 28.0 1.0 CD1 B:PHE53 4.8 26.3 1.0 NE2 B:HIS80 4.8 29.6 1.0 O B:HOH335 4.8 41.6 0.9 CA B:PHE53 4.9 30.3 1.0 HA B:ALA81 4.9 39.4 1.0 H B:ASN69 5.0 43.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Plant Cytidine Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Plant Cytidine Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:31.2 occ:1.00 H C:ALA81 2.4 37.5 1.0 HD22 C:ASN69 2.5 38.5 1.0 HG2 A:LYS130 2.8 48.7 1.0 HB2 C:PHE53 2.8 34.1 1.0 HB3 C:HIS80 2.9 39.3 1.0 HB2 C:ASN69 3.2 43.1 1.0 HE2 A:LYS130 3.2 50.0 1.0 N C:ALA81 3.2 31.2 1.0 ND2 C:ASN69 3.3 32.0 1.0 HA C:HIS80 3.3 42.7 1.0 HB3 C:PHE53 3.3 34.1 1.0 HD3 A:LYS130 3.4 46.1 1.0 CB C:PHE53 3.5 28.4 1.0 CB C:HIS80 3.5 32.8 1.0 HB3 C:ALA81 3.6 40.5 1.0 CG A:LYS130 3.6 40.6 1.0 HB3 A:LYS130 3.6 47.0 1.0 HB2 C:ALA81 3.6 40.5 1.0 CG C:HIS80 3.7 35.7 1.0 CA C:HIS80 3.8 35.6 1.0 HD21 C:ASN69 3.8 38.5 1.0 O A:HOH332 3.8 31.9 1.0 CD A:LYS130 3.8 38.4 1.0 CG C:PHE53 3.9 31.7 1.0 CB C:ALA81 3.9 33.8 1.0 CE A:LYS130 4.0 41.6 1.0 CB C:ASN69 4.0 35.9 1.0 C C:HIS80 4.0 40.5 1.0 CB A:LYS130 4.1 39.1 1.0 HD2 C:PHE53 4.1 31.5 1.0 OE1 C:GLU82 4.1 50.3 1.0 CG C:ASN69 4.1 30.2 1.0 ND1 C:HIS80 4.2 40.2 1.0 CD2 C:PHE53 4.2 26.3 1.0 CA C:ALA81 4.2 34.5 1.0 HA A:LYS130 4.2 40.7 1.0 CD2 C:HIS80 4.2 37.9 1.0 HA C:ASN69 4.3 34.3 1.0 HG3 A:LYS130 4.4 48.7 1.0 HB2 C:HIS80 4.4 39.3 1.0 HD2 C:HIS80 4.5 45.5 1.0 H C:GLU82 4.5 42.1 1.0 HE3 A:LYS130 4.5 50.0 1.0 ZN C:ZN202 4.6 38.0 1.0 CD1 C:PHE53 4.7 25.6 1.0 CA C:ASN69 4.7 28.6 1.0 CA A:LYS130 4.7 33.9 1.0 HB3 C:ASN69 4.7 43.1 1.0 HD2 A:LYS130 4.7 46.1 1.0 HA C:ALA81 4.8 41.4 1.0 CA C:PHE53 4.8 30.2 1.0 CE1 C:HIS80 4.8 36.0 1.0 H C:ASN69 4.8 39.9 1.0 HZ3 A:LYS130 4.9 64.5 1.0 HB1 C:ALA81 4.9 40.5 1.0 HD1 C:PHE53 4.9 30.7 1.0 NE2 C:HIS80 4.9 34.9 1.0 HB2 A:LYS130 4.9 47.0 1.0 O C:PHE53 4.9 24.5 1.0 O C:HOH330 5.0 43.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Plant Cytidine Deaminase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Plant Cytidine Deaminase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:54.4 occ:1.00 O D:HOH308 2.3 50.4 1.0 O D:HOH326 2.3 40.1 0.9 H D:ALA81 2.4 56.6 1.0 HD22 D:ASN69 2.6 53.2 1.0 HB3 D:HIS80 2.7 49.6 1.0 HB2 D:PHE53 2.9 59.3 1.0 HB3 D:PHE53 3.0 59.3 1.0 HA D:HIS80 3.1 46.4 1.0 N D:ALA81 3.2 47.1 1.0 CB D:PHE53 3.2 49.4 1.0 CB D:HIS80 3.3 41.3 1.0 ND2 D:ASN69 3.4 44.3 1.0 CG D:PHE53 3.4 45.9 1.0 CG D:HIS80 3.4 39.2 1.0 OE1 D:GLU82 3.5 56.9 1.0 HB2 D:ASN69 3.5 54.7 1.0 CA D:HIS80 3.6 38.7 1.0 CD2 D:PHE53 3.7 46.1 1.0 HB3 D:ALA81 3.7 57.9 1.0 HD2 D:PHE53 3.7 55.4 1.0 HD21 D:ASN69 3.8 53.2 1.0 CD2 D:HIS80 3.9 48.8 1.0 C D:HIS80 3.9 42.7 1.0 HB2 D:ALA81 3.9 57.9 1.0 ND1 D:HIS80 4.0 36.9 1.0 HD2 D:HIS80 4.1 58.5 1.0 CD1 D:PHE53 4.1 50.7 1.0 CB D:ALA81 4.2 48.3 1.0 HB2 D:HIS80 4.2 49.6 1.0 H D:GLU82 4.2 67.3 1.0 CA D:ALA81 4.3 68.2 1.0 CB D:ASN69 4.3 45.6 1.0 HG D:CYS107 4.3 0.8 1.0 HD1 D:PHE53 4.3 60.9 1.0 CG D:ASN69 4.3 40.5 1.0 O D:HOH316 4.4 56.1 1.0 CD D:GLU82 4.5 66.9 1.0 HA D:ASN69 4.5 46.2 1.0 CE2 D:PHE53 4.6 48.5 1.0 NE2 D:HIS80 4.6 47.2 1.0 CE1 D:HIS80 4.6 38.5 1.0 OE2 D:GLU82 4.7 50.3 1.0 CA D:PHE53 4.7 52.7 1.0 ZN D:ZN202 4.8 42.7 1.0 CE1 D:PHE53 4.9 50.8 1.0 N D:HIS80 4.9 37.9 1.0 CA D:ASN69 4.9 38.5 1.0 N D:GLU82 4.9 56.1 1.0 HA D:ALA81 5.0 81.8 1.0 SG D:CYS107 5.0 86.5 1.0

M.W.Taylor, J.E.Lee. To Be Published To Be Published.