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Chlorine in PDB 5x2s: Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5.

Protein crystallography data

The structure of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5., PDB code: 5x2s was solved by M.Ohki, S.-Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.99 / 2.39
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 228.603, 54.598, 138.444, 90.00, 103.18, 90.00
R / Rfree (%) 24.5 / 28.8

Other elements in 5x2s:

The structure of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5. also contains other interesting chemical elements:

Nickel (Ni) 6 atoms
Iron (Fe) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5. (pdb code 5x2s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5., PDB code: 5x2s:

Chlorine binding site 1 out of 1 in 5x2s

Go back to Chlorine Binding Sites List in 5x2s
Chlorine binding site 1 out of 1 in the Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin After Adding 4 Mm Bezafibrate pH 6.5. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl202

b:0.3
occ:1.00
CL I:PEM202 0.0 0.3 1.0
C4 I:PEM202 1.8 0.8 1.0
C5 I:PEM202 2.8 0.5 1.0
C3 I:PEM202 2.8 0.3 1.0
NZ I:LYS99 3.0 91.2 1.0
CE I:LYS99 3.6 89.6 1.0
CE1 J:TYR35 3.9 47.6 1.0
C6 I:PEM202 4.1 0.4 1.0
C2 I:PEM202 4.1 1.0 1.0
CZ2 J:TRP37 4.1 52.7 1.0
NH2 J:ARG104 4.2 93.3 1.0
CD1 J:TYR35 4.2 48.6 1.0
CH2 J:TRP37 4.3 54.1 1.0
CD2 J:LEU105 4.4 46.9 1.0
C1 I:PEM202 4.6 0.1 1.0
CZ J:TYR35 4.8 53.0 1.0
CD I:LYS99 4.9 82.8 1.0

Reference:

N.Shibayama, M.Ohki, J.R.H.Tame, S.Y.Park. Direct Observation of Conformational Population Shifts in Crystalline Human Hemoglobin. J. Biol. Chem. V. 292 18258 2017.
ISSN: ESSN 1083-351X
PubMed: 28931607
DOI: 10.1074/JBC.M117.781146
Page generated: Sat Jul 12 10:31:52 2025

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