Chlorine in PDB 4xtq: Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp

The structure of Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp, PDB code: 4xtq was solved by S.Pletnev, V.N.Malashkevich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.656, 53.113, 107.070, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp (pdb code 4xtq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp, PDB code: 4xtq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:29.2 occ:1.00 N A:LEU147 3.2 14.2 1.0 O A:HOH679 3.6 15.7 1.0 CA A:SER146 3.7 16.8 1.0 CG A:LEU147 3.9 14.5 1.0 CB A:SER146 3.9 16.6 1.0 C A:SER146 3.9 15.8 1.0 CB A:LEU147 4.1 14.0 1.0 CD1 A:LEU147 4.2 16.0 1.0 CA A:LEU147 4.2 13.1 1.0 O A:HOH897 4.3 39.0 1.0 CB A:LEU313 4.7 18.4 1.0 CD2 A:LEU313 4.7 17.9 1.0 O A:LEU313 4.8 20.9 1.0 N A:SER146 4.9 17.4 1.0 O A:GLY145 4.9 21.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:15.8 occ:1.00 O A:HOH729 3.1 18.7 1.0 O A:HOH611 3.2 39.2 1.0 N A:GLU42 3.2 9.0 1.0 CD1 A:LEU235 3.8 13.3 1.0 CA A:SER41 3.8 8.1 1.0 CA A:GLY116 3.9 8.0 1.0 CB A:GLU42 4.0 11.3 1.0 C A:SER41 4.0 8.2 1.0 CA A:GLU42 4.1 10.5 1.0 CG A:GLU42 4.4 13.0 1.0 CB A:SER41 4.5 8.1 1.0 O A:VAL40 4.5 7.8 1.0 N A:GLY116 4.5 7.8 1.0 N A:HIS43 4.7 11.1 1.0 O A:HOH703 4.7 14.9 1.0 OE2 A:GLU42 4.8 15.6 1.0 C A:GLU42 4.8 11.0 1.0 C A:GLY116 5.0 8.1 1.0 N A:SER41 5.0 7.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:37.4 occ:1.00 NE A:ARG148 3.1 15.7 1.0 NH2 A:ARG148 3.4 15.9 1.0 CZ A:ARG148 3.7 18.1 1.0 CB A:ARG148 4.2 12.8 1.0 CD A:ARG148 4.2 14.2 1.0 CG A:ARG148 4.2 12.7 1.0 CZ A:PHE181 4.8 14.0 1.0 CE1 A:PHE181 4.8 12.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Mutant (C20S) of A Near-Infrared Fluorescent Protein BPHP1-Fp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:46.9 occ:1.00 O A:HOH662 2.7 35.7 1.0 CD2 A:LEU287 3.5 13.8 1.0 NH1 A:ARG264 4.1 22.2 0.4 NH1 A:ARG264 4.7 17.9 0.6 CG A:LEU287 4.8 12.1 1.0

D.M.Shcherbakova, M.Baloban, S.Pletnev, V.N.Malashkevich, H.Xiao, Z.Dauter, V.V.Verkhusha. Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins. Chem.Biol. V. 22 1540 2015.
ISSN: ISSN 1074-5521
PubMed: 26590639
DOI: 10.1016/J.CHEMBIOL.2015.10.007