Chlorine in PDB 8fdl: Human Hemoglobin with Nitrosochloramphenicol

The structure of Human Hemoglobin with Nitrosochloramphenicol, PDB code: 8fdl was solved by S.M.Powell, G.B.Richter-Addo, L.M.Thomas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.41 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.551, 82.683, 62.586, 90, 100.02, 90
R / Rfree (%)	15.1 / 21

The structure of Human Hemoglobin with Nitrosochloramphenicol also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Human Hemoglobin with Nitrosochloramphenicol (pdb code 8fdl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Hemoglobin with Nitrosochloramphenicol, PDB code: 8fdl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Hemoglobin with Nitrosochloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Hemoglobin with Nitrosochloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:31.5 occ:1.00 CL1 C:XQU205 0.0 31.5 1.0 C1 C:XQU205 1.8 24.2 1.0 H11 C:XQU205 2.3 29.1 1.0 C2 C:XQU205 2.8 28.6 1.0 HA C:SER3 2.8 16.6 1.0 CL2 C:XQU205 2.9 41.1 1.0 HD3 C:PRO4 3.1 24.2 1.0 O C:HOH394 3.1 30.7 1.0 O2 C:XQU205 3.2 28.9 1.0 HG12 C:VAL1 3.3 33.0 1.0 HG11 C:VAL1 3.6 33.0 1.0 O C:LEU2 3.7 17.4 1.0 CA C:SER3 3.8 13.8 1.0 C10 C:XQU205 3.8 17.1 1.0 H101 C:XQU205 3.8 20.5 1.0 N2 C:XQU205 3.8 16.4 1.0 CG1 C:VAL1 3.9 27.5 1.0 H21 C:XQU205 3.9 19.8 1.0 C11 C:XQU205 4.0 19.1 1.0 CD C:PRO4 4.0 20.1 1.0 H111 C:XQU205 4.1 23.0 1.0 C9 C:XQU205 4.2 18.0 1.0 HD2 C:PRO4 4.2 24.2 1.0 HB2 C:SER3 4.3 16.5 1.0 C C:LEU2 4.3 16.4 1.0 N C:SER3 4.4 12.9 1.0 HB3 C:SER3 4.4 16.5 1.0 CB C:SER3 4.4 13.7 1.0 HB C:VAL1 4.5 33.7 1.0 C6 C:XQU205 4.6 17.6 1.0 HG13 C:VAL1 4.6 33.0 1.0 C C:SER3 4.7 15.8 1.0 N9 C:XQU205 4.7 24.4 1.0 N C:PRO4 4.7 15.2 1.0 H91 C:XQU205 4.7 29.3 1.0 C8 C:XQU205 4.7 16.6 1.0 CB C:VAL1 4.8 28.1 1.0 C7 C:XQU205 4.9 16.1 1.0 HG3 C:PRO4 4.9 33.0 1.0 O C:HOH351 5.0 33.6 1.0

Chlorine binding site 2 out of 2 in the Human Hemoglobin with Nitrosochloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Hemoglobin with Nitrosochloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:41.1 occ:1.00 CL2 C:XQU205 0.0 41.1 1.0 C1 C:XQU205 1.8 24.2 1.0 H11 C:XQU205 2.2 29.1 1.0 O C:HOH395 2.3 27.3 1.0 C2 C:XQU205 2.7 28.6 1.0 HB3 C:SER3 2.8 16.5 1.0 CL1 C:XQU205 2.9 31.5 1.0 HA C:SER3 3.0 16.6 1.0 O2 C:XQU205 3.2 28.9 1.0 O C:VAL1 3.2 16.2 1.0 CA C:SER3 3.4 13.8 1.0 HB C:VAL1 3.4 33.7 1.0 CB C:SER3 3.4 13.7 1.0 N C:SER3 3.4 12.9 1.0 HG12 C:VAL1 3.5 33.0 1.0 HZ1 C:LYS127 3.6 12.0 1.0 H C:SER3 3.6 15.5 1.0 HB2 C:SER3 3.7 16.5 1.0 N2 C:XQU205 3.8 16.4 1.0 C C:LEU2 3.8 16.4 1.0 H21 C:XQU205 3.9 19.8 1.0 C C:VAL1 3.9 10.8 1.0 CG1 C:VAL1 4.1 27.5 1.0 CB C:VAL1 4.1 28.1 1.0 O C:LEU2 4.2 17.4 1.0 O C:HOH421 4.2 37.2 1.0 HZ3 C:LYS127 4.2 12.0 1.0 NZ C:LYS127 4.2 10.0 1.0 HG11 C:VAL1 4.2 33.0 1.0 HZ2 C:LYS127 4.3 12.0 1.0 O A:HOH322 4.5 18.2 1.0 N C:LEU2 4.6 12.6 1.0 CA C:VAL1 4.6 17.0 1.0 HA C:LEU2 4.6 15.5 1.0 CA C:LEU2 4.6 12.9 1.0 HD3 C:PRO4 4.7 24.2 1.0 OG C:SER3 4.7 15.2 1.0 H3 C:VAL1 4.7 16.0 1.0 OD2 C:ASP6 4.9 9.3 1.0 C C:SER3 4.9 15.8 1.0 HG C:SER3 4.9 18.2 1.0

S.M.Powell, B.Wang, V.E.Herrera, K.Y.Prather, N.T.Nguyen, E.G.Abucayon, L.M.Thomas, M.K.Safo, G.B.Richter-Addo. Crystal Structural Investigations of Heme Protein Derivatives Resulting From Reactions of Aryl- and Alkylhydroxylamines with Human Hemoglobin J.Inorg.Biochem. V. 246 12304 2023.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2023.112304