Iron 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:

Chlorine

(Cl)

2 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was determined in the 1.7-Angstrom in Situ Mylar Structure of Sperm Whale Myoglobin (Swmb- Co) at 100 K, PDB code: 5kkk:

Iron binding site 1 out of 1 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 Iron with other atoms in the Fe 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:Fe201 b:17.0 occ:1.00 FE A:HEM201 0.0 17.0 1.0 C A:CMO202 1.8 12.1 0.8 NE2 A:HIS94 2.0 17.6 1.0 NB A:HEM201 2.0 17.6 1.0 NC A:HEM201 2.0 17.7 1.0 NA A:HEM201 2.1 16.7 1.0 ND A:HEM201 2.1 17.2 1.0 CE1 A:HIS94 2.9 18.8 1.0 O A:CMO202 2.9 30.5 0.8 C1B A:HEM201 3.1 17.7 1.0 C4B A:HEM201 3.1 17.7 1.0 C4A A:HEM201 3.1 17.0 1.0 C4C A:HEM201 3.1 18.7 1.0 C1D A:HEM201 3.1 14.4 1.0 C1C A:HEM201 3.1 21.1 1.0 C1A A:HEM201 3.1 19.6 1.0 C4D A:HEM201 3.1 20.3 1.0 CD2 A:HIS94 3.1 15.7 1.0 CHC A:HEM201 3.4 16.6 1.0 CHB A:HEM201 3.4 16.5 1.0 CHD A:HEM201 3.4 19.2 1.0 CHA A:HEM201 3.5 18.0 1.0 ND1 A:HIS94 4.1 19.1 1.0 CG A:HIS94 4.2 21.0 1.0 C2A A:HEM201 4.3 20.2 1.0 C3A A:HEM201 4.3 16.2 1.0 C3B A:HEM201 4.3 16.6 1.0 C2B A:HEM201 4.3 19.1 1.0 C2C A:HEM201 4.3 16.9 1.0 C3C A:HEM201 4.3 17.2 1.0 C2D A:HEM201 4.3 20.8 1.0 C3D A:HEM201 4.3 21.4 1.0 NE2 A:HIS65 4.5 19.7 1.0 CG2 A:VAL69 4.7 17.2 1.0 CE1 A:HIS65 4.7 25.0 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