Chlorine in PDB 6q42: Crystal Structure of Human Pancreatic Phospholipase A2

All present enzymatic activity of Crystal Structure of Human Pancreatic Phospholipase A2:
3.1.1.4;

The structure of Crystal Structure of Human Pancreatic Phospholipase A2, PDB code: 6q42 was solved by F.Saul, A.Haouz, G.Lambeau, J.Theze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.610, 58.951, 122.100, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Human Pancreatic Phospholipase A2 (pdb code 6q42). 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 Human Pancreatic Phospholipase A2, PDB code: 6q42:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Pancreatic Phospholipase A2


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 Pancreatic Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.6 occ:1.00 ND2 A:ASN23 3.0 38.4 1.0 NE A:ARG6 3.2 19.3 1.0 O A:HOH375 3.3 16.4 1.0 NH1 A:ARG6 3.4 13.5 1.0 NZ B:LYS121 3.5 20.2 1.0 OD1 A:ASN23 3.6 40.9 1.0 CE2 A:PHE5 3.7 16.3 1.0 CZ A:ARG6 3.7 28.3 1.0 CG A:ASN23 3.7 45.4 1.0 CD2 A:PHE5 3.9 13.1 1.0 CD B:LYS121 4.0 19.7 1.0 CG2 A:VAL2 4.2 16.9 1.0 CG A:ARG6 4.2 18.4 1.0 CE B:LYS121 4.2 21.1 1.0 CD A:ARG6 4.3 18.0 1.0 O B:HOH396 4.9 41.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Pancreatic Phospholipase A2


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 Pancreatic Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:18.9 occ:1.00 O A:HOH362 2.9 18.9 1.0 O A:HOH320 3.2 12.0 1.0 N A:GLU40 3.5 6.6 1.0 CB A:ASP39 3.6 6.7 1.0 ND2 A:ASN112 3.7 10.3 1.0 CB A:GLU40 3.8 7.0 1.0 CG A:PRO110 3.9 17.4 1.0 CD A:PRO110 4.0 12.6 1.0 O A:HOH346 4.2 22.7 1.0 CA A:GLU40 4.3 5.8 1.0 CA A:ASP39 4.3 6.6 1.0 C A:ASP39 4.4 8.9 1.0 CB A:PRO110 4.5 13.4 1.0 CG A:ASP39 4.6 9.4 1.0 CG A:ASN112 4.8 26.6 1.0 OD2 A:ASP39 4.9 13.0 1.0 OE1 A:GLU40 5.0 24.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Pancreatic Phospholipase A2


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 Pancreatic Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:17.5 occ:1.00 O A:HOH338 3.1 26.2 1.0 NE B:ARG6 3.1 10.8 1.0 ND2 B:ASN23 3.2 13.5 1.0 O B:HOH398 3.3 11.7 1.0 NH1 B:ARG6 3.5 10.0 1.0 NZ A:LYS121 3.6 16.1 1.0 CZ B:ARG6 3.8 21.1 1.0 OD1 B:ASN23 3.9 17.7 1.0 CG B:ASN23 4.0 24.1 1.0 CD A:LYS121 4.0 15.3 1.0 CD2 B:PHE5 4.0 12.7 1.0 CE2 B:PHE5 4.0 15.8 1.0 CG2 B:VAL2 4.1 15.9 1.0 CG B:ARG6 4.1 12.3 1.0 CD B:ARG6 4.2 12.0 1.0 CE A:LYS121 4.4 15.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Pancreatic Phospholipase A2


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 Pancreatic Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:20.2 occ:1.00 O B:HOH379 3.0 34.7 1.0 O B:HOH458 3.0 27.1 1.0 N B:ILE82 3.3 13.2 1.0 NH1 B:ARG100 3.4 21.0 1.0 O B:HOH345 3.6 31.1 1.0 O B:ILE82 3.7 14.5 1.0 CD1 B:ILE104 3.8 16.4 1.0 CA B:ALA81 3.8 12.8 1.0 C B:ALA81 4.0 17.7 1.0 CZ B:ARG100 4.1 31.7 1.0 NE B:ARG100 4.1 13.5 1.0 CA B:ILE82 4.2 12.5 1.0 CG1 B:ILE104 4.3 12.4 1.0 CB B:ALA81 4.4 13.3 1.0 C B:ILE82 4.4 15.3 1.0 CB B:ILE82 4.4 14.8 1.0 O B:SER80 4.5 17.0 1.0 CG1 B:ILE82 4.8 14.8 1.0 N B:ALA81 5.0 13.4 1.0

J.Pothlichet, T.Rose, F.Bugault, L.Jeammet, A.Meola, A.Haouz, F.Saul, D.Geny, J.Alcami, E.Ruiz-Mateos Carmona, L.Teyton, G.Lambeau, J.Theze. PLA2G1B Is Involved in CD4 Anergy and CD4 Lymphopenia in Hiv-Infected Patients J.Clin.Invest. 2020.
ISSN: ISSN 0021-9738
DOI: 10.1172/JCI131842