Chlorine in PDB 6i21: Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism

The structure of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism, PDB code: 6i21 was solved by P.J.Rizkallah, M.E.Kalvaitis, R.K.Allemann, R.J.Mart, L.A.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.48 / 1.50
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.389, 106.389, 67.486, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 20.5

The structure of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism (pdb code 6i21). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism, PDB code: 6i21:

Chlorine binding site 1 out of 1 in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:23.0 occ:1.00 O3' A:FMN414 3.1 19.2 0.7 O A:HOH560 3.2 30.6 1.0 O A:HOH572 3.2 31.2 1.0 ND2 A:ASN205 3.2 19.0 1.0 O3' A:FMN413 3.2 18.5 0.3 ND2 A:ASN229 3.2 20.2 1.0 CB A:ASN205 3.9 17.2 1.0 C3' A:FMN413 3.9 21.5 0.3 C3' A:FMN414 3.9 18.8 0.7 CD1 A:LEU250 4.0 27.1 1.0 CG A:ASN205 4.0 16.9 1.0 C1 A:EDO405 4.0 34.5 1.0 O2' A:FMN414 4.1 17.3 0.7 O2' A:FMN413 4.1 20.3 0.3 C2 A:EDO405 4.3 37.2 1.0 CG A:ASN229 4.3 18.6 1.0 O5' A:FMN413 4.4 21.2 0.3 O5' A:FMN414 4.5 21.6 0.7 OD1 A:ASN229 4.5 19.0 1.0 O A:HOH585 4.5 24.7 1.0 C2' A:FMN413 4.6 20.1 0.3 C2' A:FMN414 4.6 17.1 0.7 C8M A:FMN414 4.7 18.1 0.7 C8M A:FMN413 4.7 21.8 0.3 O A:ASN205 4.8 16.0 1.0 NH2 A:ARG231 4.8 25.5 1.0 O A:ASP204 4.8 19.4 1.0 C9 A:FMN413 5.0 19.9 0.3

M.E.Kalvaitis, L.A.Johnson, R.J.Mart, P.Rizkallah, R.K.Allemann. A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain Upon Photoactivation. Biochemistry V. 58 2608 2019.
ISSN: ISSN 0006-2960
PubMed: 31082213
DOI: 10.1021/ACS.BIOCHEM.9B00255