Chlorine in PDB 4rjz: Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation

The structure of Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation, PDB code: 4rjz was solved by Y.Patskovsky, R.Toro, R.Bhosle, N.Al Obaidi, S.Chamala, J.D.Attonito, A.Scott Glenn, S.Chowdhury, J.Lafleur, R.D.Siedel, B.Hillerich, J.Love, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.57 / 1.17
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.617, 41.263, 70.442, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.5

The structure of Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation (pdb code 4rjz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation, PDB code: 4rjz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation


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 ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:20.5 occ:0.60 CL A:CL502 0.0 20.5 0.6 HA2 A:GLY80 2.7 23.4 1.0 CL A:CL502 2.7 23.5 0.4 H A:ALA82 2.9 22.5 1.0 HB3 A:ALA82 3.1 23.6 1.0 HB2 A:LYS306 3.4 25.9 1.0 HA A:TYR77 3.4 24.4 1.0 O A:HOH960 3.4 32.8 1.0 CA A:GLY80 3.4 19.5 1.0 C A:GLY80 3.5 19.2 1.0 HD1 A:TYR77 3.5 24.5 1.0 N A:ALA82 3.7 18.8 1.0 O A:GLY80 3.8 22.9 1.0 CB A:ALA82 3.8 19.6 1.0 N A:ASN81 3.8 19.3 1.0 HB2 A:ALA82 3.8 23.6 1.0 H A:ASN81 3.9 23.2 1.0 H A:GLY80 3.9 24.8 1.0 O A:TYR77 4.0 23.4 1.0 CD1 A:TYR77 4.1 20.4 1.0 HA3 A:GLY80 4.1 23.4 1.0 N A:GLY80 4.2 20.6 1.0 CB A:LYS306 4.3 21.6 1.0 CA A:TYR77 4.3 20.3 1.0 CA A:ALA82 4.3 19.6 1.0 HE1 A:TYR77 4.4 23.4 1.0 O A:HOH977 4.4 28.2 1.0 CE1 A:TYR77 4.5 19.5 1.0 O A:ALA76 4.5 21.3 1.0 HG2 A:LYS306 4.6 31.9 1.0 HG3 A:LYS306 4.6 31.9 1.0 C A:TYR77 4.6 21.7 1.0 HB1 A:ALA82 4.6 23.6 1.0 HB3 A:LYS306 4.6 25.9 1.0 C A:ASN81 4.6 20.3 1.0 O A:ALA82 4.7 20.9 1.0 HB3 A:PHE304 4.7 20.1 1.0 CA A:ASN81 4.7 19.8 1.0 CG A:LYS306 4.7 26.6 1.0 H A:LYS306 4.8 21.0 1.0 CG A:TYR77 4.9 20.2 1.0 HA A:ASN81 4.9 23.7 1.0 C A:ALA82 4.9 19.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation


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 ATU4361 Sugar Transporter From Agrobacterium Fabrum C58, Target Efi-510558, An Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:23.5 occ:0.40 CL A:CL502 0.0 23.5 0.4 H A:LYS306 2.4 21.0 1.0 HB2 A:LYS306 2.5 25.9 1.0 HB3 A:PHE304 2.5 20.1 1.0 CL A:CL502 2.7 20.5 0.6 HD1 A:TYR77 3.1 24.5 1.0 N A:LYS306 3.2 17.5 1.0 HB3 A:ALA82 3.2 23.6 1.0 HE1 A:TYR77 3.2 23.4 1.0 CB A:LYS306 3.3 21.6 1.0 CB A:PHE304 3.4 16.7 1.0 HG2 A:LYS306 3.5 31.9 1.0 CA A:LYS306 3.6 19.4 1.0 HB2 A:PHE304 3.6 20.1 1.0 CD1 A:TYR77 3.8 20.4 1.0 C A:LYS306 3.8 18.6 1.0 CE1 A:TYR77 3.8 19.5 1.0 H A:THR307 3.8 22.1 1.0 H A:SER305 3.9 18.8 1.0 CG A:LYS306 3.9 26.6 1.0 N A:SER305 3.9 15.7 1.0 C A:PHE304 3.9 16.2 1.0 N A:THR307 4.0 18.4 1.0 HB3 A:LYS306 4.0 25.9 1.0 CB A:ALA82 4.1 19.6 1.0 HD1 A:PHE304 4.1 21.2 1.0 CA A:PHE304 4.3 15.6 1.0 CG A:PHE304 4.3 17.2 1.0 HG3 A:LYS306 4.3 31.9 1.0 C A:SER305 4.3 17.5 1.0 O A:PHE304 4.3 17.4 1.0 HB2 A:ALA82 4.4 23.6 1.0 HB1 A:ALA82 4.4 23.6 1.0 O A:LYS306 4.5 20.5 1.0 HA A:LYS306 4.5 23.3 1.0 CD1 A:PHE304 4.5 17.7 1.0 H A:ALA82 4.6 22.5 1.0 HA A:TYR77 4.7 24.4 1.0 CA A:SER305 4.7 16.2 1.0 HA A:PHE304 4.7 18.7 1.0 HA A:THR307 4.8 21.2 1.0 O A:HOH960 4.8 32.8 1.0 OG A:SER305 4.8 18.9 1.0 O A:PRO83 4.9 18.2 1.0 CA A:THR307 5.0 17.6 1.0

Y.Patskovsky, R.Toro, R.Bhosle, N.Al Obaidi, S.Chamala, A.Scott Glenn, J.D.Attonito, S.Chowdhury, J.Lafleur, R.D.Siedel, B.Hillerich, J.Love, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of Maltoside Transporter ATU4361 From Agrobacterium Fabrum, Target Efi-510558 To Be Published.