Chlorine in PDB 1dvm: Active Form of Human Pai-1

The structure of Active Form of Human Pai-1, PDB code: 1dvm was solved by T.J.Stout, H.Graham, D.I.Buckley, D.J.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.764, 74.674, 103.445, 85.19, 86.17, 64.34
R / Rfree (%)	21.8 / 29.2

The binding sites of Chlorine atom in the Active Form of Human Pai-1 (pdb code 1dvm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Active Form of Human Pai-1, PDB code: 1dvm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Active Form of Human Pai-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Active Form of Human Pai-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:24.2 occ:1.00 NZ A:LYS323 2.7 7.3 1.0 NZ A:LYS325 2.9 12.6 1.0 O A:HOH1081 3.2 3.9 1.0 N A:SER149 3.5 14.0 1.0 N A:HIS150 3.5 18.5 1.0 O A:HIS150 3.7 23.5 1.0 CA A:ILE148 3.8 10.5 1.0 CG2 A:ILE148 3.9 4.4 1.0 CE A:LYS323 4.0 7.3 1.0 C A:ILE148 4.1 12.1 1.0 O A:HOH1097 4.2 13.8 1.0 CB A:HIS150 4.2 24.8 1.0 CA A:HIS150 4.2 19.8 1.0 O D:HOH1475 4.2 82.0 1.0 OG A:SER149 4.3 10.7 1.0 CE A:LYS325 4.3 6.0 1.0 C A:HIS150 4.3 19.7 1.0 C A:SER149 4.4 17.4 1.0 O A:MET147 4.4 10.2 1.0 CA A:SER149 4.4 13.2 1.0 CB A:ILE148 4.4 14.1 1.0 CD A:LYS323 4.6 4.9 1.0 CD A:LYS325 4.9 6.9 1.0 N A:ILE148 4.9 10.0 1.0 CB A:SER149 5.0 10.9 1.0

Chlorine binding site 2 out of 4 in the Active Form of Human Pai-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Active Form of Human Pai-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1004 b:32.0 occ:1.00 N B:SER149 3.0 20.3 1.0 ND1 B:HIS150 3.2 22.7 1.0 NZ B:LYS323 3.3 17.1 1.0 CE1 B:HIS150 3.4 23.3 1.0 OG B:SER149 3.5 23.9 1.0 N B:HIS150 3.5 21.1 1.0 CA B:ILE148 3.5 12.1 1.0 NZ B:LYS325 3.6 22.6 1.0 C B:ILE148 3.7 12.2 1.0 CA B:SER149 3.9 20.0 1.0 O B:HIS150 3.9 17.3 1.0 CE B:LYS323 4.0 16.3 1.0 CG2 B:ILE148 4.1 10.2 1.0 O B:HOH1019 4.1 53.0 1.0 CG B:HIS150 4.1 22.3 1.0 OE2 B:GLU281 4.1 33.2 1.0 O B:MET147 4.2 8.7 1.0 C B:SER149 4.2 19.9 1.0 NE2 B:HIS150 4.3 18.0 1.0 CB B:ILE148 4.3 10.7 1.0 CB B:SER149 4.3 22.2 1.0 CA B:HIS150 4.5 16.6 1.0 N B:ILE148 4.6 10.1 1.0 C B:HIS150 4.7 17.9 1.0 CD2 B:HIS150 4.7 22.5 1.0 CG1 B:ILE148 4.7 8.7 1.0 CD B:LYS323 4.8 14.1 1.0 C B:MET147 4.8 10.2 1.0 CB B:HIS150 4.8 19.2 1.0 O B:ILE148 4.8 13.6 1.0 CE B:LYS325 5.0 31.8 1.0

Chlorine binding site 3 out of 4 in the Active Form of Human Pai-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Active Form of Human Pai-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1003 b:26.0 occ:1.00 O C:HOH1235 2.8 5.2 1.0 O C:HOH1236 3.1 33.7 1.0 NZ C:LYS323 3.2 13.7 1.0 N C:SER149 3.2 22.8 1.0 ND1 C:HIS150 3.3 51.8 1.0 CE1 C:HIS150 3.4 51.7 1.0 N C:HIS150 3.5 25.3 1.0 O C:HIS150 3.6 23.2 1.0 CA C:ILE148 3.7 16.6 1.0 OG C:SER149 3.7 19.5 1.0 CG2 C:ILE148 3.8 12.6 1.0 CE C:LYS323 3.8 13.3 1.0 C C:ILE148 3.9 19.9 1.0 CG C:HIS150 4.0 45.0 1.0 CA C:SER149 4.1 24.8 1.0 NE2 C:HIS150 4.1 52.8 1.0 CB C:ILE148 4.2 20.4 1.0 C C:SER149 4.3 26.3 1.0 CA C:HIS150 4.4 24.3 1.0 C C:HIS150 4.4 24.1 1.0 CD C:LYS323 4.4 3.5 1.0 O C:HOH1237 4.4 28.9 1.0 CD2 C:HIS150 4.5 50.9 1.0 CB C:SER149 4.5 23.9 1.0 O C:MET147 4.5 24.9 1.0 CG1 C:ILE148 4.6 12.8 1.0 OE1 C:GLU281 4.7 49.5 1.0 CB C:HIS150 4.8 34.6 1.0 N C:ILE148 4.9 17.0 1.0 O D:HOH1471 4.9 74.5 1.0 O C:HOH1282 5.0 47.1 1.0

Chlorine binding site 4 out of 4 in the Active Form of Human Pai-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Active Form of Human Pai-1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1002 b:21.2 occ:1.00 NZ D:LYS325 3.0 2.0 1.0 N D:SER149 3.2 12.4 1.0 CE D:LYS325 3.4 8.4 1.0 NZ D:LYS323 3.5 15.2 1.0 N D:HIS150 3.5 19.6 1.0 CE D:LYS323 3.6 12.5 1.0 CA D:ILE148 3.6 13.6 1.0 O D:HIS150 3.7 16.2 1.0 OG D:SER149 3.9 14.4 1.0 C D:ILE148 3.9 13.6 1.0 O D:HOH1097 3.9 17.7 1.0 CG2 D:ILE148 3.9 14.8 1.0 O D:HOH1098 4.0 72.7 1.0 CA D:SER149 4.2 14.7 1.0 O D:MET147 4.2 10.3 1.0 CB D:ILE148 4.3 13.7 1.0 C D:SER149 4.3 18.3 1.0 CA D:HIS150 4.4 19.2 1.0 C D:HIS150 4.4 19.4 1.0 CD D:LYS323 4.5 2.0 1.0 CB D:HIS150 4.5 23.8 1.0 CB D:SER149 4.6 19.4 1.0 CG1 D:ILE148 4.7 15.6 1.0 N D:ILE148 4.7 10.4 1.0 CD D:LYS325 4.8 13.2 1.0 C D:MET147 4.9 8.3 1.0

T.J.Stout, H.Graham, D.I.Buckley, D.J.Matthews. Structures of Active and Latent Pai-1: A Possible Stabilizing Role For Chloride Ions. Biochemistry V. 39 8460 2000.
ISSN: ISSN 0006-2960
PubMed: 10913251
DOI: 10.1021/BI000290W