Chlorine in PDB 5giy: Hsa-Palmitic Acid-[RUCL5(Ind)]2-

The structure of Hsa-Palmitic Acid-[RUCL5(Ind)]2-, PDB code: 5giy was solved by F.Yang, T.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.43 / 2.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.845, 38.710, 96.070, 90.00, 105.12, 90.00
R / Rfree (%)	22.4 / 27.9

The structure of Hsa-Palmitic Acid-[RUCL5(Ind)]2- also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Chlorine atom in the Hsa-Palmitic Acid-[RUCL5(Ind)]2- (pdb code 5giy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-, PDB code: 5giy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:0.9 occ:1.00 CL1 A:7GE1007 0.0 0.9 1.0 CE1 A:HIS146 2.4 97.8 1.0 RU2 A:7GE1007 2.7 0.0 1.0 C07 A:7GE1007 3.0 96.2 1.0 N06 A:7GE1007 3.1 93.2 1.0 NE2 A:HIS146 3.2 0.6 1.0 ND1 A:HIS146 3.5 82.6 1.0 CL5 A:7GE1007 3.7 0.4 1.0 CD A:ARG145 4.1 57.6 1.0 N14 A:7GE1007 4.2 97.5 1.0 CL3 A:7GE1007 4.2 0.2 1.0 C08 A:7GE1007 4.3 96.6 1.0 CB A:ARG145 4.3 70.0 1.0 CD2 A:HIS146 4.4 0.6 1.0 CG A:HIS146 4.6 77.7 1.0 C13 A:7GE1007 4.8 99.0 1.0 CG A:ARG145 4.8 64.7 1.0

Chlorine binding site 2 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:0.2 occ:1.00 CL3 A:7GE1007 0.0 0.2 1.0 CD A:LYS190 2.3 94.9 1.0 RU2 A:7GE1007 2.7 0.0 1.0 CG A:LYS190 3.1 89.2 1.0 CE A:LYS190 3.2 1.0 1.0 NZ A:LYS190 3.5 0.3 1.0 C07 A:7GE1007 3.6 96.2 1.0 N06 A:7GE1007 4.0 93.2 1.0 N14 A:7GE1007 4.2 97.5 1.0 CL1 A:7GE1007 4.2 0.9 1.0 CL4 A:7GE1007 4.3 0.4 1.0 NE2 A:HIS146 4.4 0.6 1.0 CL5 A:7GE1007 4.5 0.4 1.0 CB A:LYS190 4.5 88.3 1.0 C08 A:7GE1007 4.5 96.6 1.0 C13 A:7GE1007 4.8 99.0 1.0 CE1 A:HIS146 4.9 97.8 1.0

Chlorine binding site 3 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:0.4 occ:1.00 CL4 A:7GE1007 0.0 0.4 1.0 NE2 A:HIS146 2.3 0.6 1.0 CD2 A:HIS146 2.3 0.6 1.0 RU2 A:7GE1007 2.7 0.0 1.0 N14 A:7GE1007 2.9 97.5 1.0 N06 A:7GE1007 3.3 93.2 1.0 OG A:SER193 3.6 70.4 1.0 CE1 A:HIS146 3.6 97.8 1.0 CG A:HIS146 3.7 77.7 1.0 CL5 A:7GE1007 3.7 0.4 1.0 CB A:SER193 3.9 67.7 1.0 CG A:LYS190 4.0 89.2 1.0 C07 A:7GE1007 4.2 96.2 1.0 C13 A:7GE1007 4.2 99.0 1.0 ND1 A:HIS146 4.2 82.6 1.0 CL3 A:7GE1007 4.3 0.2 1.0 CA A:LYS190 4.6 79.3 1.0 CD A:LYS190 4.7 94.9 1.0 CB A:LYS190 4.7 88.3 1.0 C08 A:7GE1007 4.7 96.6 1.0 CB A:HIS146 4.8 69.4 1.0 H21 A:7GE1007 5.0 0.7 1.0

Chlorine binding site 4 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:0.4 occ:1.00 CL5 A:7GE1007 0.0 0.4 1.0 RU2 A:7GE1007 2.7 0.0 1.0 NE2 A:HIS146 3.0 0.6 1.0 CE1 A:HIS146 3.6 97.8 1.0 CL1 A:7GE1007 3.7 0.9 1.0 CL4 A:7GE1007 3.7 0.4 1.0 CD2 A:HIS146 3.7 0.6 1.0 ND2 A:ASN109 4.3 0.9 1.0 CL3 A:7GE1007 4.5 0.2 1.0 ND1 A:HIS146 4.5 82.6 1.0 N06 A:7GE1007 4.5 93.2 1.0 OD1 A:ASN109 4.5 0.9 1.0 CG A:HIS146 4.6 77.7 1.0 CG A:ASN109 4.7 0.1 1.0 O A:ARG145 5.0 67.9 1.0

Chlorine binding site 5 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:0.4 occ:1.00 CL1 A:7GE1008 0.0 0.4 1.0 O A:HOH1109 2.5 88.3 1.0 NE2 A:HIS242 2.6 93.5 1.0 RU2 A:7GE1008 2.7 0.7 1.0 H2 A:7GE1008 2.9 0.8 1.0 CD2 A:HIS242 3.0 96.8 1.0 NZ A:LYS199 3.5 0.6 1.0 N14 A:7GE1008 3.6 0.2 1.0 N06 A:7GE1008 3.8 0.6 1.0 CE1 A:HIS242 3.8 94.5 1.0 CG A:HIS242 4.3 94.9 1.0 CL3 A:7GE1008 4.5 0.1 1.0 ND1 A:HIS242 4.7 99.5 1.0 C07 A:7GE1008 4.7 0.0 1.0 CL4 A:7GE1008 4.8 0.4 1.0 C13 A:7GE1008 4.8 0.6 1.0 CE A:LYS199 5.0 0.3 1.0

Chlorine binding site 6 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:0.1 occ:1.00 CL3 A:7GE1008 0.0 0.1 1.0 RU2 A:7GE1008 2.7 0.7 1.0 NH1 A:ARG218 3.4 0.7 1.0 NZ A:LYS199 3.5 0.6 1.0 N06 A:7GE1008 3.8 0.6 1.0 CE A:LYS199 4.0 0.3 1.0 H1 A:7GE1008 4.2 0.1 1.0 CL4 A:7GE1008 4.3 0.4 1.0 C07 A:7GE1008 4.4 0.0 1.0 CL1 A:7GE1008 4.5 0.4 1.0 CZ A:ARG218 4.6 1.0 1.0 N14 A:7GE1008 4.8 0.2 1.0 H2 A:7GE1008 4.9 0.8 1.0

Chlorine binding site 7 out of 7 in the Hsa-Palmitic Acid-[RUCL5(Ind)]2-


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hsa-Palmitic Acid-[RUCL5(Ind)]2- within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:0.4 occ:1.00 CL4 A:7GE1008 0.0 0.4 1.0 RU2 A:7GE1008 2.7 0.7 1.0 CE1 A:HIS242 3.2 94.5 1.0 NE2 A:HIS242 3.5 93.5 1.0 C07 A:7GE1008 3.7 0.0 1.0 CD1 A:LEU238 3.9 84.8 1.0 N06 A:7GE1008 3.9 0.6 1.0 NZ A:LYS199 4.0 0.6 1.0 H1 A:7GE1008 4.0 0.1 1.0 CZ3 A:TRP214 4.1 67.9 1.0 ND1 A:HIS242 4.2 99.5 1.0 CE A:LYS199 4.2 0.3 1.0 CL3 A:7GE1008 4.3 0.1 1.0 CD2 A:LEU238 4.4 84.2 1.0 CZ A:PHE211 4.6 72.4 1.0 N14 A:7GE1008 4.6 0.2 1.0 CD2 A:HIS242 4.6 96.8 1.0 H2 A:7GE1008 4.7 0.8 1.0 CG A:LEU238 4.8 78.9 1.0 CE3 A:TRP214 4.8 61.9 1.0 CL1 A:7GE1008 4.8 0.4 1.0 C08 A:7GE1008 4.9 0.1 1.0 CH2 A:TRP214 5.0 78.4 1.0 CG A:HIS242 5.0 94.9 1.0

F.Yang, T.Wang. Structure of Hsa-Palmitic Acid-[RUCL5(Ind)]2- To Be Published.