Chlorine in PDB 4eie: Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002

The structure of Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002, PDB code: 4eie was solved by S.Krzywda, W.Bialek, P.Zatwarnicki, M.Jaskolski, A.Szczepaniak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 1.03
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.130, 56.130, 49.640, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 16.3

The structure of Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002 also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002 (pdb code 4eie). 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 Cytochrome C6C From Synechococcus Sp. Pcc 7002, PDB code: 4eie:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002


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 Cytochrome C6C From Synechococcus Sp. Pcc 7002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:15.6 occ:0.85 HD21 A:ASN57 2.2 17.2 0.0 H1 A:HOH207 2.2 16.3 0.0 HB2 A:ARG26 2.6 12.4 1.0 H2 A:HOH207 2.6 16.3 0.0 HD2 A:ARG26 2.8 14.6 0.9 O A:HOH207 2.8 16.2 1.0 HG13 A:VAL25 3.1 10.8 0.0 HMDA A:HEM101 3.1 9.3 0.0 HB2 A:ASN57 3.2 9.8 1.0 ND2 A:ASN57 3.2 17.2 1.0 CB A:ARG26 3.6 12.6 1.0 CD A:ARG26 3.7 14.7 0.9 HD22 A:ASN57 3.7 17.2 0.0 CMD A:HEM101 3.8 9.3 1.0 HMD A:HEM101 3.9 9.3 0.0 CG1 A:VAL25 4.0 10.8 1.0 HG11 A:VAL25 4.0 10.8 0.0 HD3 A:ARG26 4.0 14.5 0.9 CG A:ARG26 4.0 13.7 1.0 HMDB A:HEM101 4.0 9.3 0.0 CB A:ASN57 4.0 10.2 1.0 HG3 A:ARG26 4.1 13.7 1.0 CG A:ASN57 4.1 11.2 1.0 HB3 A:ARG26 4.1 12.4 1.0 H A:ASN57 4.1 10.2 1.0 HH12 A:ARG26 4.2 18.9 0.8 HAD A:HEM101 4.3 9.0 1.0 HA A:ARG26 4.3 11.8 1.0 CA A:ARG26 4.4 11.9 1.0 HG12 A:VAL25 4.4 10.8 0.0 HB3 A:ASN57 4.5 9.6 1.0 O A:HOH325 4.5 28.1 0.8 O A:VAL25 4.6 12.8 1.0 N A:ARG26 4.6 11.3 1.0 C A:VAL25 4.7 10.5 1.0 NE A:ARG26 4.8 15.1 0.8 O1D A:HEM101 4.8 16.3 1.0 HB A:VAL25 4.9 9.7 1.0 N A:ASN57 4.9 9.7 1.0 NH1 A:ARG26 4.9 19.3 0.8 HG2 A:ARG26 4.9 13.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002


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 Cytochrome C6C From Synechococcus Sp. Pcc 7002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:34.2 occ:0.55 HA A:ILE9 2.7 10.5 1.0 HB3 A:ALA12 3.2 15.1 0.0 O A:HOH320 3.3 25.2 0.8 HG12 A:ILE9 3.4 12.6 1.0 HE2 A:HIS13 3.4 14.2 0.0 HD2 A:HIS13 3.4 12.8 1.0 HG13 A:ILE9 3.6 12.7 1.0 CA A:ILE9 3.6 10.7 1.0 HB1 A:ALA12 3.7 15.1 0.0 CB A:ALA12 3.8 15.1 1.0 CG1 A:ILE9 3.9 12.9 1.0 NE2 A:HIS13 3.9 14.2 1.0 CD2 A:HIS13 4.0 12.9 1.0 O A:GLN8 4.0 12.3 1.0 HB2 A:ALA12 4.0 15.1 0.0 H1 A:HOH270 4.0 26.9 0.0 N A:ILE9 4.1 10.9 1.0 H2 A:HOH270 4.1 26.9 0.0 C A:GLN8 4.2 11.8 1.0 HG23 A:ILE9 4.2 11.2 0.0 CB A:ILE9 4.3 11.0 1.0 HB3 A:GLN8 4.4 14.2 1.0 O A:HOH270 4.5 26.5 1.0 H A:ILE9 4.5 11.0 1.0 OE2 A:GLU69 4.7 17.9 1.0 C A:ILE9 4.7 9.6 1.0 O A:ILE9 4.8 10.6 1.0 CG2 A:ILE9 4.8 11.3 1.0 H A:ALA12 4.9 11.8 1.0 HB2 A:GLN8 4.9 14.4 1.0 O A:HOH226 4.9 20.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002


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 Cytochrome C6C From Synechococcus Sp. Pcc 7002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:14.0 occ:0.45 H A:ALA60 2.3 8.8 1.0 HA A:SER59 2.9 8.6 1.0 H2 A:HOH225 3.0 17.2 0.0 HB2 A:SER59 3.0 9.1 0.3 N A:ALA60 3.2 9.0 1.0 HB3 A:ALA60 3.3 10.9 0.0 OG A:SER59 3.4 10.4 0.3 O A:HOH225 3.5 17.4 1.0 HB3 A:SER59 3.6 8.7 0.4 CA A:SER59 3.7 8.6 1.0 CB A:SER59 3.7 9.6 0.3 HB1 A:ALA60 3.8 10.9 0.0 CB A:ALA60 3.9 10.9 1.0 C A:SER59 3.9 8.2 1.0 HG A:SER59 4.0 10.3 0.0 HB3 A:SER59 4.0 9.0 0.3 CB A:SER59 4.0 9.0 0.3 H1 A:HOH230 4.0 18.0 0.0 CB A:SER59 4.0 8.8 0.4 CA A:ALA60 4.1 9.4 1.0 H1 A:HOH311 4.2 23.7 0.0 HB2 A:SER59 4.3 8.8 0.3 OG A:SER59 4.3 9.1 0.4 H1 A:HOH225 4.4 17.2 0.0 H2 A:HOH311 4.5 23.7 0.0 O A:ALA60 4.5 12.7 1.0 O A:HOH230 4.7 18.1 1.0 HG A:SER59 4.8 9.2 0.0 HB2 A:ALA60 4.8 10.9 0.0 O A:HOH311 4.8 24.1 0.6 H2 A:HOH306 4.8 24.9 0.0 C A:ALA60 4.9 9.3 1.0 HB3 A:SER59 4.9 8.9 0.3 OG A:SER59 4.9 10.4 0.3 N A:SER59 4.9 8.1 1.0 HA A:ALA60 4.9 9.5 1.0 HB2 A:SER59 5.0 8.7 0.4 H2 A:HOH261 5.0 13.7 0.0 HA3 A:GLY54 5.0 9.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Cytochrome C6C From Synechococcus Sp. Pcc 7002


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 Cytochrome C6C From Synechococcus Sp. Pcc 7002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:30.0 occ:0.35 H A:GLN5 2.1 17.8 1.0 HB2 A:GLN5 2.9 17.1 1.0 N A:GLN5 3.0 18.4 1.0 HA A:ASP4 3.0 19.6 0.5 H1 A:HOH265 3.1 25.5 0.0 CB A:GLN5 3.6 17.9 1.0 HB3 A:GLN5 3.6 17.3 1.0 O A:HOH265 3.7 25.4 1.0 CA A:GLN5 3.8 16.8 1.0 CA A:ASP4 3.8 19.5 0.5 C A:ASP4 3.8 18.3 0.8 HA A:GLN5 4.3 16.7 1.0 H A:GLY6 4.4 13.4 1.0 H2 A:HOH265 4.5 25.5 0.0 N A:ASP4 4.5 20.9 0.5 HB3 A:ASP4 4.8 19.7 0.5 CG A:GLN5 4.9 18.5 0.7 C A:GLN5 4.9 13.9 1.0 CB A:ASP4 5.0 20.4 0.5 N A:GLY6 5.0 13.8 1.0

W.Bialek, S.Krzywda, P.Zatwarnicki, M.Jaskolski, A.Szczepaniak. Cytochrome C6 and C6C From Synechococcus Sp. Pcc 7002 - Structure and Function. To Be Published.