Chlorine in PDB 7swr: Crystal Structure of the Chromoprotein Gfaspurple

The structure of Crystal Structure of the Chromoprotein Gfaspurple, PDB code: 7swr was solved by A.T.Caputo, J.Newman, T.S.Peat, C.Scott, H.Ahmed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 1.39
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.136, 92.136, 78.52, 90, 90, 90
R / Rfree (%)	16.2 / 17.3

The binding sites of Chlorine atom in the Crystal Structure of the Chromoprotein Gfaspurple (pdb code 7swr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Chromoprotein Gfaspurple, PDB code: 7swr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Chromoprotein Gfaspurple


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 the Chromoprotein Gfaspurple within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:25.7 occ:1.00 HE3 A:LYS41 2.8 32.9 0.0 HA A:HIS200 2.9 14.6 0.0 HB3 A:ASN199 3.0 15.4 0.0 O A:HOH650 3.1 43.7 1.0 HB3 A:SER206 3.3 17.9 0.0 HB2 A:GLU208 3.6 16.3 0.0 HA A:VAL207 3.6 15.1 0.0 CA A:HIS200 3.7 13.4 1.0 N A:HIS200 3.7 13.1 1.0 HD3 A:LYS41 3.8 29.3 0.0 C A:ASN199 3.8 13.7 1.0 CE A:LYS41 3.8 31.6 1.0 O A:SER206 3.8 14.2 1.0 C A:SER206 3.9 14.4 1.0 H A:GLU208 3.9 14.3 0.0 CB A:ASN199 3.9 14.0 1.0 HB2 A:SER206 3.9 18.0 0.0 N A:VAL207 4.0 14.2 1.0 O A:ASN199 4.0 14.1 1.0 N A:GLU208 4.0 13.6 1.0 CG A:ASN199 4.0 16.3 1.0 CB A:SER206 4.1 16.5 1.0 CA A:VAL207 4.1 14.3 1.0 C A:VAL207 4.1 14.0 1.0 H A:HIS200 4.1 14.7 0.0 C A:HIS200 4.1 14.1 1.0 HD2 A:LYS41 4.2 29.1 0.0 CD A:LYS41 4.2 28.2 1.0 OD1 A:ASN199 4.3 16.8 1.0 HB3 A:GLU208 4.3 16.2 0.0 H A:ASN201 4.3 15.2 0.0 HE2 A:LYS41 4.4 32.7 0.0 CB A:GLU208 4.4 15.3 1.0 N A:ASN201 4.4 13.7 1.0 H A:VAL207 4.5 14.9 0.0 CA A:ASN199 4.5 14.1 1.0 ND2 A:ASN199 4.6 17.0 1.0 CA A:SER206 4.6 14.9 1.0 HZ1 A:LYS41 4.7 35.4 0.0 O A:HIS200 4.7 15.2 1.0 NZ A:LYS41 4.7 33.8 1.0 O A:VAL207 4.7 15.1 1.0 HZ2 A:LYS41 4.7 35.3 0.0 HB2 A:ASN199 4.8 15.5 0.0 HB3 A:ASN201 4.8 16.6 0.0 HD22 A:ASN199 4.8 18.9 0.0 CA A:GLU208 4.8 13.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Chromoprotein Gfaspurple


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 the Chromoprotein Gfaspurple within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:33.4 occ:1.00 H A:GLY151 2.2 17.4 0.0 HG3 A:MET185 2.8 19.2 0.0 O A:HOH680 3.0 38.9 1.0 HE2 A:MET185 3.0 20.1 0.0 HB1 A:ALA148 3.0 16.8 0.0 N A:GLY151 3.2 16.1 1.0 H A:ASP150 3.4 17.9 0.0 HA2 A:GLY151 3.4 17.2 0.0 N A:ASP150 3.6 16.7 1.0 HA A:ARG149 3.6 15.1 0.0 CG A:MET185 3.8 17.5 1.0 C A:ARG149 3.9 15.4 1.0 CA A:GLY151 3.9 15.7 1.0 O A:HOH542 3.9 30.5 1.0 N A:ARG149 3.9 13.7 1.0 CB A:ALA148 4.0 15.8 1.0 CE A:MET185 4.0 19.0 1.0 CA A:ARG149 4.0 14.3 1.0 C A:ALA148 4.1 14.7 1.0 H A:ARG149 4.1 14.2 0.0 HB3 A:ALA148 4.1 16.7 0.0 C A:ASP150 4.2 17.5 1.0 HA A:ASP150 4.2 19.4 0.0 CA A:ASP150 4.2 17.9 1.0 HB3 A:MET185 4.3 17.9 0.0 O A:HOH713 4.3 50.3 1.0 HE3 A:MET185 4.3 20.0 0.0 O A:ALA148 4.4 15.7 1.0 HG2 A:MET185 4.4 19.6 0.0 H A:MET152 4.5 14.3 0.0 SD A:MET185 4.5 18.3 1.0 CB A:MET185 4.5 16.4 1.0 O A:ARG149 4.6 15.6 1.0 CA A:ALA148 4.6 14.7 1.0 HB2 A:MET185 4.6 18.4 0.0 HA3 A:GLY151 4.7 17.2 0.0 HE1 A:MET185 4.7 19.9 0.0 HB2 A:ALA148 4.7 16.6 0.0 C A:GLY151 4.8 15.1 1.0 HA A:ALA148 4.9 15.1 0.0 O A:HOH771 4.9 50.1 1.0 N A:MET152 4.9 13.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Chromoprotein Gfaspurple


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 the Chromoprotein Gfaspurple within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:36.7 occ:1.00 HA2 A:GLY31 2.8 16.9 0.0 O A:HOH608 2.9 41.0 1.0 O A:HOH449 2.9 47.3 1.0 HG23 A:THR39 3.0 17.4 0.0 HA A:GLN38 3.0 14.9 0.0 HG22 A:THR39 3.2 18.3 0.0 HB3 A:GLU37 3.5 17.8 0.0 CA A:GLN38 3.8 14.1 1.0 CA A:GLY31 3.8 15.7 1.0 N A:GLN38 3.9 14.1 1.0 C A:GLU37 4.0 14.8 1.0 HG3 A:LYS30 4.0 23.2 0.0 O A:GLU37 4.0 15.4 1.0 C A:GLN38 4.0 13.9 1.0 H A:THR39 4.0 14.6 0.0 CG2 A:THR39 4.1 16.4 0.4 O A:LYS30 4.1 15.8 1.0 HG3 A:LYS32 4.1 24.9 0.0 H A:THR39 4.1 14.4 0.0 HB2 A:GLU37 4.1 17.9 0.0 CG2 A:THR39 4.1 17.3 0.6 H A:LYS32 4.1 17.1 0.0 N A:THR39 4.1 13.9 0.4 HA3 A:GLY31 4.2 16.6 0.0 HZ3 A:LYS32 4.2 40.8 0.0 N A:THR39 4.2 13.8 0.6 CB A:GLU37 4.2 16.6 1.0 HG21 A:THR39 4.3 18.5 0.0 HE3 A:LYS30 4.3 35.0 0.0 HB A:THR39 4.3 17.1 0.0 HG21 A:THR39 4.3 17.6 0.0 OG1 A:THR39 4.4 17.8 0.4 H A:GLN38 4.4 14.6 0.0 HE22 A:GLN7 4.5 33.6 0.0 N A:GLY31 4.5 15.5 1.0 HZ2 A:LYS32 4.5 40.8 0.0 C A:LYS30 4.6 15.8 1.0 O A:HOH652 4.6 39.6 1.0 O A:GLN38 4.6 14.2 1.0 C A:GLY31 4.6 15.4 1.0 N A:LYS32 4.7 15.8 1.0 CB A:THR39 4.7 16.3 0.4 HG1 A:THR39 4.7 18.9 0.0 CB A:THR39 4.7 16.2 0.6 HG22 A:THR39 4.7 17.2 0.0 CA A:GLU37 4.8 14.2 1.0 NZ A:LYS32 4.9 38.5 1.0 HG23 A:THR39 4.9 18.3 0.0

F.H.Ahmed, A.T.Caputo, N.G.French, T.S.Peat, J.Whitfield, A.C.Warden, J.Newman, C.Scott. Over the Rainbow: Structural Characterization of the Chromoproteins Gfaspurple, Amilcp, Spispink and Eforred. Acta Crystallogr D Struct V. 78 599 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35503208
DOI: 10.1107/S2059798322002625