Chlorine in PDB 1x6v: The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1

All present enzymatic activity of The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1:
2.7.1.25; 2.7.7.4;

The structure of The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1, PDB code: 1x6v was solved by S.Harjes, P.Bayer, A.J.Scheidig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	129.10 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.210, 82.550, 133.600, 90.00, 105.10, 90.00
R / Rfree (%)	16.6 / 19.8

The binding sites of Chlorine atom in the The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1 (pdb code 1x6v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1, PDB code: 1x6v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl700 b:36.5 occ:1.00 O B:HOH1344 1.8 25.9 1.0 O B:HOH1275 2.4 42.6 1.0 NE2 B:GLN419 3.1 15.9 1.0 O B:HOH814 3.2 20.0 1.0 CE B:MET495 3.6 19.2 1.0 N B:ALA525 3.6 12.9 1.0 O B:HOH989 3.7 39.9 1.0 CG B:GLN419 3.8 17.6 1.0 CD B:GLN419 3.9 18.5 1.0 CA B:ALA525 4.0 12.4 1.0 CD B:ARG421 4.0 23.5 1.0 NH2 B:ARG421 4.2 22.0 1.0 O B:HOH1345 4.2 34.0 1.0 CE1 B:HIS506 4.3 16.5 1.0 ND1 B:HIS506 4.4 14.7 1.0 CG B:ARG421 4.5 21.0 1.0 CB B:ALA525 4.6 14.3 1.0 O B:HOH861 4.6 32.2 1.0 SD B:MET495 4.6 19.7 1.0 C B:PRO524 4.7 13.2 1.0 CB B:ARG421 4.7 18.5 1.0 O B:GLN419 4.8 18.8 1.0 N B:ARG421 4.8 17.1 1.0 CA B:PRO524 4.9 15.4 1.0 O B:HOH839 4.9 24.4 1.0 NE B:ARG421 5.0 22.9 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Human 3'-Phosphoadenosine-5'-Phosphosulfate Synthetase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl700 b:31.2 occ:1.00 O A:HOH704 3.2 17.4 1.0 NE2 A:GLN419 3.3 14.4 1.0 N A:ALA525 3.5 15.0 1.0 O A:HOH994 3.8 52.1 1.0 CG A:GLN419 3.9 15.5 1.0 CA A:ALA525 3.9 13.9 1.0 CE A:MET495 3.9 17.2 1.0 CD A:ARG421 4.1 29.8 1.0 CD A:GLN419 4.1 13.2 1.0 O A:HOH1111 4.1 46.1 1.0 NH1 A:ARG421 4.2 34.6 1.0 CE1 A:HIS506 4.3 12.5 1.0 CG A:ARG421 4.4 23.8 1.0 ND1 A:HIS506 4.4 14.6 1.0 C A:PRO524 4.6 15.2 1.0 CB A:ALA525 4.6 13.8 1.0 O A:HOH768 4.7 26.3 1.0 N A:ARG421 4.7 15.0 1.0 CA A:PRO524 4.7 16.5 1.0 SD A:MET495 4.8 16.4 1.0 O A:GLN419 4.8 16.3 1.0 CB A:ARG421 4.9 17.6 1.0 O A:HOH741 4.9 24.6 1.0

S.Harjes, P.Bayer, A.J.Scheidig. The Crystal Structure of Human Paps Synthetase 1 Reveals Asymmetry in Substrate Binding J.Mol.Biol. V. 347 623 2005.
ISSN: ISSN 0022-2836
PubMed: 15755455
DOI: 10.1016/J.JMB.2005.01.005