Chlorine in PDB 5wjk: 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K

The structure of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K, PDB code: 5wjk was solved by J.Broecker, W.-L.Ou, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.84 / 2.00
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	91.670, 91.670, 46.170, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 26.9

The structure of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K (pdb code 5wjk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K, PDB code: 5wjk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:53.0 occ:0.33 NZ A:LYS17 4.6 39.1 1.0 CB A:ALA16 4.9 22.9 1.0

Chlorine binding site 2 out of 5 in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:0.9 occ:1.00 NZ A:LYS48 3.5 81.4 1.0 CE A:LYS48 4.6 65.4 1.0

Chlorine binding site 3 out of 5 in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:78.6 occ:1.00 CD A:LYS57 4.1 48.2 1.0 CE A:LYS57 4.8 53.2 1.0 CA A:ALA54 4.8 39.4 1.0 CB A:ALA54 4.8 41.2 1.0 CB A:LYS57 4.9 31.6 1.0

Chlorine binding site 4 out of 5 in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:67.4 occ:1.00 CE A:LYS51 4.6 73.5 1.0 O A:HIS49 4.7 57.4 1.0 NZ A:LYS51 4.9 65.2 1.0

Chlorine binding site 5 out of 5 in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:62.1 occ:1.00 CG2 A:THR96 4.2 34.8 1.0 O A:THR96 4.9 47.5 1.0

J.Broecker, T.Morizumi, W.L.Ou, V.Klingel, A.Kuo, D.J.Kissick, A.Ishchenko, M.Y.Lee, S.Xu, O.Makarov, V.Cherezov, C.M.Ogata, O.P.Ernst. High-Throughput in Situ X-Ray Screening of and Data Collection From Protein Crystals at Room Temperature and Under Cryogenic Conditions. Nat Protoc V. 13 260 2018.
ISSN: ESSN 1750-2799
PubMed: 29300389
DOI: 10.1038/NPROT.2017.135