Chlorine in PDB 5kkk: 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K

The structure of 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K, PDB code: 5kkk was solved by J.Broecker, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.91 / 1.70
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.770, 90.770, 45.671, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.5

The structure of 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K (pdb code 5kkk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K, PDB code: 5kkk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:39.4 occ:0.33 NZ A:LYS17 4.1 30.8 1.0 CB A:ALA16 4.7 19.4 1.0

Chlorine binding site 2 out of 2 in the 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:60.6 occ:1.00 O A:HOH311 3.4 36.9 1.0 NZ A:LYS63 3.8 40.9 1.0 O A:HOH402 3.9 36.9 1.0 O A:HOH321 4.0 54.1 1.0 NE2 A:GLN27 4.0 25.4 1.0 OE1 A:GLN27 4.4 24.4 1.0 CD A:LYS63 4.4 28.8 1.0 CD A:GLN27 4.6 25.2 1.0 O A:LYS57 4.7 30.3 1.0 CE A:LYS63 4.7 44.7 1.0

J.Broecker, V.Klingel, W.L.Ou, A.R.Balo, D.J.Kissick, C.M.Ogata, A.Kuo, O.P.Ernst. A Versatile System For High-Throughput in Situ X-Ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des V. 16 6318 2016.
ISSN: ISSN 1528-7483
PubMed: 28261000
DOI: 10.1021/ACS.CGD.6B00950