Chlorine in PDB 7dl4: Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct

The structure of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct, PDB code: 7dl4 was solved by L.L.Xie, W.M.Wang, H.F.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.54 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.983, 38.494, 95.516, 90, 105.53, 90
R / Rfree (%)	20.8 / 26.8

The structure of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct (pdb code 7dl4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct, PDB code: 7dl4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:58.5 occ:0.80 CL8 A:HZQ602 0.0 58.5 0.8 C3 A:HZQ602 1.7 64.4 0.8 C1 A:HZQ602 2.7 61.3 0.8 C7 A:HZQ602 2.7 59.1 0.8 C4 A:HZQ602 3.0 66.8 0.8 CA A:GLY189 3.6 63.9 1.0 CG A:PHE157 4.0 51.9 1.0 C10 A:HZQ602 4.0 63.5 0.8 C2 A:HZQ602 4.0 64.5 0.8 CD1 A:LEU154 4.1 60.7 1.0 CB A:PHE157 4.2 53.5 1.0 CD2 A:PHE157 4.2 59.2 1.0 CD1 A:PHE157 4.3 55.0 1.0 C9 A:HZQ602 4.4 62.4 0.8 CG2 A:ILE142 4.4 48.0 1.0 C A:GLY189 4.5 67.1 1.0 C5 A:HZQ602 4.5 64.2 0.8 N A:GLY189 4.6 57.8 1.0 CD1 A:ILE142 4.7 54.6 1.0 CE2 A:PHE157 4.7 61.0 1.0 CZ A:PHE149 4.7 61.1 1.0 CE1 A:PHE157 4.7 62.6 1.0 CE2 A:TYR161 4.9 62.7 1.0 O A:GLY189 4.9 63.9 1.0 CZ A:PHE157 4.9 56.5 1.0 O A:LEU185 4.9 56.8 1.0 CE2 A:PHE149 5.0 62.9 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:61.8 occ:0.80 RU A:RU601 2.4 70.7 0.7 N A:NO606 3.0 76.4 0.8 N6 A:HZQ602 3.1 65.3 0.8 O11 A:HZQ602 3.3 70.7 0.8 C2 A:HZQ602 3.6 64.5 0.8 NE2 A:HIS146 3.6 70.1 1.0 CL A:CL604 3.6 78.0 0.8 C5 A:HZQ602 3.7 64.2 0.8 C12 A:HZQ602 3.8 60.9 0.8 O A:NO606 3.9 66.4 0.8 CD2 A:HIS146 4.0 56.4 1.0 CD A:ARG145 4.1 47.7 1.0 CD1 A:LEU115 4.4 56.8 1.0 CG1 A:ILE142 4.5 58.0 1.0 CB A:ARG145 4.6 56.6 1.0 CG2 A:ILE142 4.6 48.0 1.0 C1 A:HZQ602 4.6 61.3 0.8 CA A:ILE142 4.7 53.9 1.0 CL A:CL605 4.7 87.2 0.8 C10 A:HZQ602 4.8 63.5 0.8 CE1 A:HIS146 4.8 68.4 1.0 C9 A:HZQ602 4.8 62.4 0.8 CB A:ILE142 4.9 49.1 1.0 CG A:LEU115 5.0 67.0 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:78.0 occ:0.80 RU A:RU601 2.4 70.7 0.7 N6 A:HZQ602 3.0 65.3 0.8 CL A:CL605 3.1 87.2 0.8 C12 A:HZQ602 3.1 60.9 0.8 N A:NO606 3.4 76.4 0.8 CL A:CL603 3.6 61.8 0.8 C2 A:HZQ602 4.2 64.5 0.8 O A:NO606 4.3 66.4 0.8 O11 A:HZQ602 4.3 70.7 0.8 O A:HOH782 4.5 74.2 1.0 C9 A:HZQ602 4.5 62.4 0.8 CG A:ARG186 4.6 65.2 1.0 C5 A:HZQ602 4.8 64.2 0.8

Chlorine binding site 4 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:87.2 occ:0.80 RU A:RU601 2.4 70.7 0.7 N A:NO606 2.7 76.4 0.8 O11 A:HZQ602 2.8 70.7 0.8 CL A:CL604 3.1 78.0 0.8 N6 A:HZQ602 3.2 65.3 0.8 O A:NO606 3.4 66.4 0.8 C5 A:HZQ602 3.5 64.2 0.8 C2 A:HZQ602 3.6 64.5 0.8 CB A:LYS190 3.8 71.7 1.0 CG A:LYS190 3.9 71.5 1.0 CD A:LYS190 4.0 81.2 1.0 C12 A:HZQ602 4.1 60.9 0.8 CG A:ARG186 4.2 65.2 1.0 CA A:LYS190 4.6 70.9 1.0 C10 A:HZQ602 4.6 63.5 0.8 CL A:CL603 4.7 61.8 0.8 CD A:ARG186 4.8 65.3 1.0 O A:ARG186 4.8 64.2 1.0 C1 A:HZQ602 4.9 61.3 0.8 N A:LYS190 5.0 65.8 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:73.5 occ:0.60 RU A:RU607 2.3 67.4 0.5 CL A:CL610 3.0 66.5 0.6 CL A:CL611 3.0 69.5 0.6 N A:NO612 3.1 74.4 0.8 O2 A:GOL608 3.3 64.9 0.8 O A:PHE134 3.6 60.8 1.0 CD1 A:PHE134 3.6 56.9 1.0 CD A:LYS137 3.9 73.7 1.0 CB A:LYS137 3.9 58.7 1.0 CA A:PHE134 4.0 55.8 1.0 O A:NO612 4.0 57.3 0.8 CE1 A:PHE134 4.1 58.4 1.0 C A:PHE134 4.2 56.3 1.0 C2 A:GOL608 4.3 65.1 0.8 O1 A:GOL608 4.3 66.8 0.8 CG A:PHE134 4.3 43.7 1.0 CG A:LYS137 4.5 62.3 1.0 CB A:PHE134 4.6 55.7 1.0 N A:TYR138 4.8 58.3 1.0 O A:THR133 4.9 58.6 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:66.5 occ:0.60 RU A:RU607 2.4 67.4 0.5 O2 A:GOL608 2.6 64.9 0.8 O1 A:GOL608 2.9 66.8 0.8 CL A:CL609 3.0 73.5 0.6 CL A:CL611 3.3 69.5 0.6 N A:TYR138 3.7 58.3 1.0 C2 A:GOL608 3.7 65.1 0.8 CA A:TYR138 3.8 58.1 1.0 C1 A:GOL608 3.8 54.4 0.8 C A:LYS137 3.9 60.2 1.0 CG A:GLU141 3.9 52.0 1.0 CD A:LYS137 3.9 73.7 1.0 CB A:LYS137 4.0 58.7 1.0 CB A:TYR138 4.0 50.9 1.0 N A:NO612 4.1 74.4 0.8 CG A:LYS137 4.1 62.3 1.0 O A:LYS137 4.2 57.0 1.0 CE A:LYS137 4.6 69.2 1.0 CA A:LYS137 4.6 55.9 1.0 C3 A:GOL608 4.7 67.6 0.8 O A:PHE134 4.7 60.8 1.0 OE2 A:GLU141 4.7 51.3 1.0 CD A:GLU141 4.8 52.8 1.0 CB A:GLU141 4.9 52.1 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:69.5 occ:0.60 RU A:RU607 2.3 67.4 0.5 N A:NO612 2.6 74.4 0.8 CL A:CL609 3.0 73.5 0.6 CL A:CL610 3.3 66.5 0.6 O1 A:GOL608 3.3 66.8 0.8 O A:NO612 3.3 57.3 0.8 NZ A:LYS137 3.9 66.1 1.0 CD A:LYS137 4.1 73.7 1.0 O2 A:GOL608 4.3 64.9 0.8 CE A:LYS137 4.4 69.2 1.0 C1 A:GOL608 4.5 54.4 0.8 O A:HOH781 4.7 66.5 1.0 C2 A:GOL608 4.7 65.1 0.8

Chlorine binding site 8 out of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl622 b:86.3 occ:1.00 C3 A:GOL608 3.2 67.6 0.8 O A:HOH782 3.9 74.2 1.0 O3 A:GOL608 4.0 50.1 0.8 C1 A:GOL608 4.3 54.4 0.8 C2 A:GOL608 4.3 65.1 0.8 CG A:ARG117 4.4 59.0 1.0 CB A:ARG117 4.4 64.4 1.0 CA A:ARG117 4.4 52.7 1.0 SD A:MET123 4.6 55.0 1.0 NE A:ARG117 4.7 75.6 1.0 CD A:PRO118 4.9 56.8 1.0 CD1 A:LEU182 4.9 59.3 1.0

L.L.Xie, W.M.Wang, H.F.Wang. Structural and Photodynamic Studies on Nitrosylruthenium Complexed Serum Albumin To Be Published.