Chlorine in PDB 1hba: High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site

The structure of High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site, PDB code: 1hba was solved by J.S.Kavanaugh, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.000, 99.300, 66.000, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site (pdb code 1hba). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site, PDB code: 1hba:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl200 b:23.1 occ:1.00 NH1 B:ARG37 3.2 12.1 1.0 N B:ARG37 3.5 9.0 1.0 CG B:ARG37 3.5 6.8 1.0 CB B:ARG37 3.6 2.8 1.0 CA B:TYR35 3.7 6.8 1.0 CD B:PRO36 3.7 8.2 1.0 N B:PRO36 3.7 8.2 1.0 C B:TYR35 3.8 5.9 1.0 CD B:ARG37 3.9 3.8 1.0 CG C:ARG141 3.9 23.6 1.0 CD C:ARG141 3.9 18.8 1.0 CB C:TYR140 4.1 14.4 1.0 CZ B:ARG37 4.1 3.0 1.0 CA B:ARG37 4.1 8.7 1.0 O C:TYR140 4.2 24.7 1.0 CD2 C:TYR140 4.2 15.6 1.0 CB B:TYR35 4.2 4.7 1.0 CB C:ARG141 4.3 26.7 1.0 NE B:ARG37 4.3 5.7 1.0 CG B:PRO36 4.3 10.3 1.0 C C:TYR140 4.4 26.2 1.0 O B:TYR35 4.5 10.8 1.0 C B:PRO36 4.5 8.5 1.0 CA B:PRO36 4.6 7.2 1.0 CD1 B:TYR35 4.6 9.4 1.0 CG C:TYR140 4.6 14.5 1.0 O C:HOH228 4.7 34.4 1.0 NE C:ARG141 4.7 19.3 1.0 CA C:TYR140 4.9 24.2 1.0 CB B:PRO36 4.9 6.9 1.0 O B:VAL34 4.9 12.3 1.0 N C:ARG141 4.9 27.7 1.0 N B:TYR35 4.9 8.8 1.0 CG B:TYR35 5.0 9.3 1.0

Chlorine binding site 2 out of 2 in the High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37BETA Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:28.4 occ:1.00 NH1 D:ARG37 3.3 16.4 1.0 CG D:ARG37 3.4 20.4 1.0 N D:ARG37 3.5 16.0 1.0 O A:HOH370 3.6 32.0 1.0 CD D:PRO36 3.7 11.9 1.0 CD D:ARG37 3.7 15.4 1.0 CB D:ARG37 3.7 16.6 1.0 N D:PRO36 3.7 11.7 1.0 CA D:TYR35 3.7 10.6 1.0 C D:TYR35 3.8 9.1 1.0 CG A:ARG141 3.8 23.9 1.0 CD A:ARG141 3.9 19.6 1.0 CB A:TYR140 4.2 19.6 1.0 CZ D:ARG37 4.2 16.0 1.0 CA D:ARG37 4.2 14.4 1.0 CD2 A:TYR140 4.2 18.7 1.0 O A:TYR140 4.2 30.2 1.0 CB D:TYR35 4.3 7.2 1.0 NE D:ARG37 4.3 15.9 1.0 CG D:PRO36 4.4 10.2 1.0 CB A:ARG141 4.4 29.5 1.0 O D:TYR35 4.4 9.3 1.0 C D:PRO36 4.5 14.3 1.0 CA D:PRO36 4.5 12.6 1.0 C A:TYR140 4.5 28.6 1.0 NE A:ARG141 4.5 23.8 1.0 CD1 D:TYR35 4.6 12.6 1.0 CG A:TYR140 4.7 18.1 1.0 CB D:PRO36 4.7 11.9 1.0 O D:VAL34 4.9 17.7 1.0 N A:ARG141 4.9 30.5 1.0 N D:TYR35 4.9 11.9 1.0 CA A:TYR140 4.9 23.8 1.0 CG D:TYR35 5.0 12.1 1.0

J.S.Kavanaugh, P.H.Rogers, D.A.Case, A.Arnone. High-Resolution X-Ray Study of Deoxyhemoglobin Rothschild 37 Beta Trp----Arg: A Mutation That Creates An Intersubunit Chloride-Binding Site. Biochemistry V. 31 4111 1992.
ISSN: ISSN 0006-2960
PubMed: 1567857
DOI: 10.1021/BI00131A030