Chlorine in PDB 4emx: Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature

The structure of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature, PDB code: 4emx was solved by H.Botti, L.Bonilla, F.Trajtenberg, R.Radi, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.50 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.880, 59.230, 95.610, 75.17, 87.83, 74.20
R / Rfree (%)	18.7 / 23.8

The binding sites of Chlorine atom in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature (pdb code 4emx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature, PDB code: 4emx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:98.7 occ:1.00 NZ A:LYS432 3.1 88.6 1.0 NZ A:LYS190 3.2 0.5 1.0 CE A:LYS432 4.0 84.2 1.0 NH1 A:ARG428 4.3 72.6 1.0 CE A:LYS190 4.6 91.3 1.0 CD A:LYS519 4.6 0.1 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:67.6 occ:1.00 NE2 A:HIS242 2.8 42.0 1.0 O A:HOH811 2.9 65.8 1.0 O A:HOH718 2.9 50.4 1.0 O A:HOH822 2.9 57.6 1.0 CE1 A:HIS242 3.5 38.4 1.0 CD1 A:LEU238 3.7 47.2 1.0 CE2 A:TYR150 4.0 45.3 1.0 OH A:TYR150 4.0 44.8 1.0 CD2 A:HIS242 4.0 44.7 1.0 CE A:LYS199 4.1 51.4 1.0 CB A:ALA291 4.3 47.7 1.0 CZ A:TYR150 4.4 45.7 1.0 O A:HOH823 4.7 65.6 1.0 CG A:LEU238 4.7 54.3 1.0 O A:HOH717 4.7 63.8 1.0 CD2 A:LEU238 4.7 44.6 1.0 O A:HOH800 4.8 54.1 1.0 O A:HOH773 4.8 51.6 1.0 NZ A:LYS199 4.8 47.2 1.0 O A:HOH782 4.8 53.0 1.0 ND1 A:HIS242 4.8 38.9 1.0 CD A:LYS199 4.9 49.0 1.0 CD2 A:TYR150 5.0 44.9 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:92.8 occ:1.00 OH A:TYR411 3.1 68.4 1.0 OG A:SER489 3.5 69.7 1.0 CE1 A:TYR411 3.7 64.8 1.0 CZ A:TYR411 3.8 64.9 1.0 NH1 A:ARG410 4.0 63.3 1.0 CB A:SER489 4.3 61.6 1.0 CA A:SER489 4.4 60.1 1.0 CD A:ARG410 4.5 66.5 1.0 CD1 A:LEU387 4.5 70.3 1.0 NZ A:LYS414 4.6 61.2 1.0 CE A:LYS414 4.8 63.0 1.0 CD1 A:TYR411 5.0 59.3 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:80.5 occ:1.00 OH B:TYR411 2.8 70.0 1.0 OG B:SER489 3.1 69.7 1.0 CE1 B:TYR411 3.6 69.6 1.0 CZ B:TYR411 3.6 68.3 1.0 O B:HOH712 3.8 69.0 1.0 CB B:SER489 3.9 68.2 1.0 CA B:SER489 3.9 64.5 1.0 O B:HOH800 4.0 69.9 1.0 NH1 B:ARG410 4.3 64.0 1.0 CD1 B:LEU387 4.3 80.8 1.0 NZ B:LYS414 4.5 70.3 1.0 N B:SER489 4.5 60.4 1.0 CE B:LYS414 4.6 67.8 1.0 CD B:ARG410 4.7 62.8 1.0 CD1 B:TYR411 4.9 63.1 1.0 CE2 B:TYR411 5.0 57.9 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:81.9 occ:1.00 NZ B:LYS199 3.1 43.3 1.0 CH2 B:TRP214 3.5 58.0 1.0 CE B:LYS195 3.7 89.7 1.0 CZ2 B:TRP214 3.8 53.5 1.0 NZ B:LYS195 3.9 94.2 1.0 CE B:LYS199 4.0 50.5 1.0 O B:HOH747 4.2 52.0 1.0 CG B:LYS195 4.6 71.2 1.0 O B:ALA291 4.7 60.6 1.0 CZ3 B:TRP214 4.8 62.7 1.0 CD B:LYS195 4.8 83.6 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure Analysis of Human Serum Albumin in Complex with Chloride Anions at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:78.4 occ:1.00 OH B:TYR150 2.8 50.7 1.0 NE B:ARG257 3.5 69.1 1.0 CE2 B:TYR150 3.6 49.9 1.0 CZ B:TYR150 3.7 54.2 1.0 CG B:ARG257 3.9 56.0 1.0 CB B:ALA291 3.9 53.6 1.0 O B:HOH716 4.1 52.1 1.0 CD B:ARG257 4.1 61.7 1.0 O B:SER287 4.1 60.0 1.0 CZ B:ARG257 4.3 63.3 1.0 NH2 B:ARG257 4.4 57.2 1.0 CD1 B:LEU238 4.5 52.3 1.0 O B:HOH747 4.6 52.0 1.0 OG B:SER287 4.8 68.4 1.0 NE2 B:HIS242 4.8 45.7 1.0 C B:SER287 4.9 56.0 1.0 CD2 B:TYR150 5.0 59.3 1.0

H.Botti, L.Bonilla, F.Trajtenberg, R.Radi, A.Buschiazzo. New Insights on B Factors in Crystal Structure Analysis and Crystallographic Model Refinement To Be Published.