Chlorine in PDB 2g3h: Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin

The structure of Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin, PDB code: 2g3h was solved by D.De Sanctis, P.Ascenzi, A.Bocedi, S.Dewilde, T.Burmester, T.Hankeln, L.Moens, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.314, 33.712, 56.059, 90.00, 94.43, 90.00
R / Rfree (%)	15.4 / 18.8

The structure of Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin (pdb code 2g3h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin, PDB code: 2g3h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl161 b:5.5 occ:1.00 O A:HOH5100 3.1 13.0 1.0 OG A:SER37 3.1 2.1 0.5 O A:HOH5022 3.2 5.4 1.0 OG A:SER37 3.3 10.1 0.5 N A:SER37 3.3 3.2 0.5 N A:SER37 3.3 4.0 0.5 CD A:PRO36 3.5 3.6 1.0 N A:PRO36 3.6 2.6 1.0 CB A:SER37 3.6 2.9 0.5 CA A:PHE35 3.6 2.7 1.0 C A:PHE35 3.6 2.9 1.0 CB A:SER37 3.6 4.9 0.5 CG A:PRO36 4.0 4.0 1.0 CA A:SER37 4.1 2.9 0.5 CA A:SER37 4.1 4.2 0.5 O A:PHE35 4.3 3.7 1.0 CB A:PHE35 4.3 3.6 1.0 C A:PRO36 4.3 2.7 1.0 CA A:PRO36 4.4 3.4 1.0 O A:ARG34 4.7 3.8 0.5 O A:ARG34 4.7 3.8 0.5 N A:PHE35 4.8 3.3 1.0 CD1 A:PHE35 4.8 6.6 1.0 O A:HOH5182 4.8 22.0 1.0 CB A:PRO36 4.9 3.7 1.0

Chlorine binding site 2 out of 2 in the Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexa-Coordinate Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl163 b:4.9 occ:0.70 O A:HOH5081 3.1 14.3 1.0 O A:HOH5043 3.2 12.7 1.0 N A:THR21 3.3 4.7 1.0 C A:THR19 3.3 4.9 1.0 N A:ASP22 3.4 4.3 1.0 CA A:THR19 3.5 4.8 1.0 CB A:THR19 3.6 4.5 1.0 CB A:THR21 3.6 4.1 1.0 N A:PRO20 3.7 4.9 1.0 O A:THR19 3.7 4.7 1.0 CA A:THR21 3.8 3.9 1.0 CG A:ASP22 4.0 11.1 1.0 CD A:PRO20 4.0 5.2 1.0 C A:THR21 4.1 3.6 1.0 OG1 A:THR21 4.1 5.8 1.0 C A:PRO20 4.2 4.8 1.0 OD2 A:ASP22 4.2 18.5 1.0 OD1 A:ASP22 4.2 17.0 1.0 CB A:ASP22 4.2 6.5 1.0 CA A:ASP22 4.4 4.7 1.0 CG2 A:THR19 4.4 5.6 1.0 CA A:PRO20 4.5 4.9 1.0 OG1 A:THR19 4.7 6.1 1.0 CG2 A:THR21 4.9 5.2 1.0 N A:THR19 4.9 4.4 1.0

D.De Sanctis, P.Ascenzi, A.Bocedi, S.Dewilde, T.Burmester, T.Hankeln, L.Moens, M.Bolognesi. Cyanide Binding and Heme Cavity Conformational Transitions in Drosophila Melanogaster Hexacoordinate Hemoglobin. Biochemistry V. 45 10054 2006.
ISSN: ISSN 0006-2960
PubMed: 16906763
DOI: 10.1021/BI060462A