Chlorine in PDB 6i23: 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: 6i23 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)	90.55 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.563, 104.563, 68.010, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 22

The binding sites of Chlorine atom in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism (pdb code 6i23). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism, PDB code: 6i23:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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:Cl402 b:40.1 occ:1.00 OBA A:9O9401 3.0 36.5 1.0 O A:HOH528 3.2 50.3 1.0 O A:HOH529 3.2 40.2 1.0 ND2 A:ASN229 3.2 32.5 1.0 ND2 A:ASN205 3.3 30.8 1.0 CAU A:9O9401 3.8 36.3 1.0 CB A:ASN205 3.9 32.4 1.0 CD1 A:LEU250 3.9 45.0 1.0 CG A:ASN205 4.1 31.4 1.0 OAY A:9O9401 4.2 30.0 1.0 CG A:ASN229 4.3 34.7 1.0 O A:HOH541 4.4 33.9 1.0 OAX A:9O9401 4.4 46.0 1.0 CAP A:9O9401 4.5 34.7 1.0 O A:ASN205 4.6 33.5 1.0 O A:ASP204 4.6 32.4 1.0 CAT A:9O9401 4.6 33.0 1.0 OD1 A:ASN229 4.6 34.1 1.0 O A:HOH566 4.6 53.5 1.0 CAC A:9O9401 4.9 32.3 1.0 NH2 A:ARG231 5.0 36.9 1.0

Chlorine binding site 2 out of 2 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 2 of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:44.9 occ:1.00 O B:HOH551 2.9 49.8 1.0 OBA B:9O9401 3.0 43.4 1.0 ND2 B:ASN229 3.1 37.7 1.0 ND2 B:ASN205 3.4 39.0 1.0 CAU B:9O9401 3.8 45.6 1.0 CD1 B:LEU250 3.9 54.3 1.0 CB B:ASN205 3.9 42.0 1.0 CG B:ASN205 4.2 40.9 1.0 OAY B:9O9401 4.2 39.5 1.0 CG B:ASN229 4.3 37.8 1.0 CAW B:9O9401 4.5 52.3 1.0 O B:HOH558 4.5 55.5 1.0 CAP B:9O9401 4.5 37.0 1.0 O B:HOH535 4.5 38.1 1.0 OD1 B:ASN229 4.6 37.6 1.0 O B:ASP204 4.7 39.6 1.0 CAT B:9O9401 4.7 40.0 1.0 O B:ASN205 4.8 39.7 1.0 NH2 B:ARG231 4.8 49.4 1.0 CAV B:9O9401 4.9 50.8 1.0 CAC B:9O9401 4.9 37.7 1.0 OBC B:9O9401 5.0 42.4 1.0

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