Iron 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:

Chlorine

(Cl)

5 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was determined in the 2.0-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb) at 293 K, PDB code: 5wjk:

Iron binding site 1 out of 1 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 Iron with other atoms in the Fe 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:Fe201 b:25.0 occ:1.00 FE A:HEM201 0.0 25.0 1.0 NB A:HEM201 2.0 20.0 1.0 NC A:HEM201 2.1 26.2 1.0 NA A:HEM201 2.1 26.1 1.0 ND A:HEM201 2.1 25.2 1.0 NE2 A:HIS94 2.2 24.9 1.0 CE1 A:HIS94 2.9 22.9 1.0 C1D A:HEM201 3.0 29.5 1.0 C4B A:HEM201 3.0 26.6 1.0 C4C A:HEM201 3.1 28.5 1.0 C1B A:HEM201 3.1 26.0 1.0 C1C A:HEM201 3.1 16.1 1.0 C4A A:HEM201 3.1 30.3 1.0 C4D A:HEM201 3.1 33.0 1.0 C1A A:HEM201 3.1 26.4 1.0 CD2 A:HIS94 3.3 33.1 1.0 CHD A:HEM201 3.4 21.7 1.0 CHC A:HEM201 3.4 21.9 1.0 CHB A:HEM201 3.4 22.0 1.0 CHA A:HEM201 3.5 25.5 1.0 ND1 A:HIS94 4.1 25.0 1.0 C3B A:HEM201 4.3 29.0 1.0 C2D A:HEM201 4.3 30.1 1.0 C2B A:HEM201 4.3 21.0 1.0 C3C A:HEM201 4.3 26.7 1.0 C2C A:HEM201 4.3 28.4 1.0 C3D A:HEM201 4.3 23.9 1.0 C3A A:HEM201 4.3 24.2 1.0 C2A A:HEM201 4.3 23.3 1.0 CG A:HIS94 4.4 25.6 1.0 NE2 A:HIS65 4.4 31.4 1.0 CG2 A:VAL69 4.7 23.5 1.0 CE1 A:HIS65 4.7 29.1 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