Chlorine in PDB 4zir: Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp

The structure of Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp, PDB code: 4zir was solved by N.K.Karpowich, N.Cocco, J.M.Song, D.N.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.29 / 3.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.275, 107.275, 96.758, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.7

The structure of Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp (pdb code 4zir). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp, PDB code: 4zir:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp


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 Ecfaa' Heterodimer Bound to Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:87.3 occ:1.00 NE A:ARG134 3.4 55.0 1.0 N A:VAL135 3.5 55.5 1.0 CB A:ARG134 3.7 51.6 1.0 NH2 A:ARG134 3.8 51.5 1.0 CA A:ARG134 3.9 57.2 1.0 CB A:PHE138 4.0 49.4 1.0 CZ A:ARG134 4.1 53.4 1.0 C A:ARG134 4.2 59.2 1.0 CD2 A:PHE138 4.3 51.1 1.0 CG A:ARG134 4.3 51.4 1.0 CB A:VAL135 4.4 56.2 1.0 CA A:VAL135 4.4 53.7 1.0 CD A:ARG134 4.5 53.0 1.0 CG2 A:VAL135 4.5 56.6 1.0 O A:VAL135 4.5 51.9 1.0 O A:PHE138 4.6 57.9 1.0 CG A:PHE138 4.7 48.8 1.0 C A:VAL135 5.0 51.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp


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 Ecfaa' Heterodimer Bound to Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:93.4 occ:1.00 O B:HOH402 3.1 89.5 1.0 NH2 A:ARG171 3.4 97.5 1.0 N B:ILE227 3.6 85.1 1.0 NZ B:LYS232 3.6 71.5 1.0 OE2 B:GLU226 3.7 99.8 1.0 CZ A:ARG171 3.7 95.4 1.0 CE B:LYS232 3.9 71.4 1.0 NE A:ARG171 4.0 89.3 1.0 CB B:ILE227 4.1 84.1 1.0 NH1 A:ARG171 4.2 97.6 1.0 O B:ILE227 4.3 81.2 1.0 CD B:GLU226 4.3 97.8 1.0 CA B:ILE227 4.3 83.8 1.0 CA B:GLU226 4.5 86.4 1.0 C B:GLU226 4.5 84.9 1.0 CG1 B:ILE227 4.6 81.7 1.0 CG B:GLU226 4.8 93.0 1.0 C B:ILE227 4.8 81.7 1.0 O B:VAL225 4.9 82.7 1.0 CD A:ARG171 4.9 83.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Ecfaa' Heterodimer Bound to Amppnp


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 Ecfaa' Heterodimer Bound to Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:98.7 occ:1.00 O B:GLU24 3.2 83.5 1.0 N B:GLU24 3.4 85.1 1.0 CB B:ALA23 4.0 84.8 1.0 CA B:ALA23 4.0 82.7 1.0 C B:GLU24 4.1 84.8 1.0 C B:ALA23 4.2 82.5 1.0 SG B:CYS211 4.3 82.5 1.0 CA B:GLU24 4.3 86.3 1.0 CE1 B:TYR31 4.7 83.9 1.0 CB B:GLU24 4.8 92.7 1.0

N.K.Karpowich, J.M.Song, N.Cocco, D.N.Wang. Atp Binding Drives Substrate Capture in An Ecf Transporter By A Release-and-Catch Mechanism. Nat.Struct.Mol.Biol. V. 22 565 2015.
ISSN: ESSN 1545-9985
PubMed: 26052893
DOI: 10.1038/NSMB.3040