Chlorine in PDB 4orn: Blue Fluorescent Protein MKALAMA1

The structure of Blue Fluorescent Protein MKALAMA1, PDB code: 4orn was solved by R.B.Vegh, D.A.Bloch, A.S.Bommarius, M.Verkhovsky, S.Pletnev, H.Iwai, A.V.Bochenkova, K.M.Solntsev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.66 / 1.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.510, 83.460, 92.240, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.3

The binding sites of Chlorine atom in the Blue Fluorescent Protein MKALAMA1 (pdb code 4orn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Blue Fluorescent Protein MKALAMA1, PDB code: 4orn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Blue Fluorescent Protein MKALAMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Blue Fluorescent Protein MKALAMA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:58.8 occ:1.00 N A:GLY175 3.6 30.5 1.0 CA A:GLY174 3.9 32.5 1.0 C A:GLY174 4.3 34.9 1.0 CA A:GLY175 4.6 33.4 1.0

Chlorine binding site 2 out of 4 in the Blue Fluorescent Protein MKALAMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Blue Fluorescent Protein MKALAMA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:59.1 occ:1.00 N B:ASP129 3.5 25.3 1.0 OD1 B:ASN23 3.8 28.3 1.0 CG B:ASN23 3.9 30.1 1.0 CA B:ASN23 4.1 27.8 1.0 CA B:THR128 4.2 27.9 1.0 CA B:ASP129 4.2 27.1 1.0 OD1 B:ASP129 4.3 55.1 1.0 ND2 B:ASN23 4.3 29.9 1.0 CB B:THR128 4.3 27.2 1.0 C B:THR128 4.4 26.2 1.0 CB B:ASN23 4.4 28.1 1.0 CG2 B:THR128 4.8 31.1 1.0 C B:ASN23 4.9 30.6 1.0 CG B:ASP129 5.0 45.7 1.0

Chlorine binding site 3 out of 4 in the Blue Fluorescent Protein MKALAMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Blue Fluorescent Protein MKALAMA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:51.8 occ:1.00 O B:HOH533 3.1 36.6 1.0 N B:LYS209 3.3 22.3 1.0 CB B:SER208 3.8 24.9 1.0 CA B:SER208 3.9 21.1 1.0 O B:LYS209 4.0 29.0 1.0 C B:SER208 4.1 21.2 1.0 CA B:LYS209 4.2 24.1 1.0 CB B:LYS209 4.2 24.1 1.0 O B:HOH481 4.3 36.5 1.0 C B:LYS209 4.6 26.1 1.0 CG B:LYS209 4.6 27.4 1.0 OG B:SER208 5.0 23.5 1.0

Chlorine binding site 4 out of 4 in the Blue Fluorescent Protein MKALAMA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Blue Fluorescent Protein MKALAMA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:60.5 occ:1.00 OG1 B:THR230 3.8 63.5 1.0 N B:THR230 3.8 39.9 1.0 CG2 B:ILE229 4.0 32.2 1.0 CA B:ILE229 4.1 29.0 1.0 O B:HOH472 4.3 29.1 1.0 O B:THR230 4.4 58.0 1.0 C B:ILE229 4.5 36.5 1.0 CB B:ILE229 4.5 26.4 1.0 O B:GLY228 4.7 33.7 1.0 CG1 B:ILE229 4.7 24.7 1.0 CA B:THR230 4.8 47.9 1.0 CB B:THR230 4.9 55.5 1.0

R.B.Vegh, D.A.Bloch, A.S.Bommarius, M.Verkhovsky, S.Pletnev, H.Iwai, A.V.Bochenkova, K.M.Solntsev. Hidden Photoinduced Proton Transfer in the Blue Fluorescent Protein MKALAMA1 To Be Published.