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

Protein crystallography data

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

Other elements in 2g3h:

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

Chlorine Binding Sites:

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 2g3h

Go back to Chlorine Binding Sites List in 2g3h
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 2g3h

Go back to Chlorine Binding Sites List in 2g3h
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

Reference:

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
Page generated: Sat Dec 12 09:05:31 2020

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