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

Protein crystallography data

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

Other elements in 5kkk:

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

Iron Binding Sites:

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 5kkk

Go back to Iron Binding Sites List in 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

Reference:

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
Page generated: Sun Dec 13 16:05:34 2020

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