Chlorine in PDB 3hlx: Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq

All present enzymatic activity of Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq:
1.3.3.11;

The structure of Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq, PDB code: 3hlx was solved by S.Puehringer, R.Schwarzenbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.70 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.607, 116.775, 68.279, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq (pdb code 3hlx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq, PDB code: 3hlx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq


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 Pqqc Active Site Mutant Y175F in Complex with Pqq within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl261 b:10.5 occ:1.00 NE A:ARG179 3.1 9.8 1.0 NE2 A:HIS154 3.2 9.3 1.0 NH2 A:ARG179 3.4 11.1 1.0 C5 A:PQQ500 3.4 9.5 1.0 C6A A:PQQ500 3.5 6.8 1.0 CB A:ALA150 3.6 9.4 1.0 C4 A:PQQ500 3.7 9.1 1.0 CZ A:ARG179 3.7 11.2 1.0 CB A:ALA183 3.7 9.6 1.0 O5 A:PQQ500 3.8 10.3 1.0 C9A A:PQQ500 3.9 5.8 1.0 N6 A:PQQ500 3.9 6.2 1.0 CD2 A:HIS154 3.9 10.3 1.0 CB A:ARG179 4.0 8.9 1.0 C3A A:PQQ500 4.0 6.7 1.0 CG A:ARG179 4.1 9.1 1.0 C1A A:PQQ500 4.1 6.3 1.0 CD A:ARG179 4.2 11.2 1.0 O4 A:PQQ500 4.2 10.7 1.0 CE1 A:HIS154 4.3 11.8 1.0 OE2 A:GLU147 4.4 9.6 1.0 CG A:GLU147 4.6 8.2 1.0 C7 A:PQQ500 4.6 7.3 1.0 C9 A:PQQ500 4.7 8.1 1.0 CA A:ALA183 4.7 9.5 1.0 O A:ARG179 4.9 10.0 1.0 CA A:ALA150 5.0 7.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pqqc Active Site Mutant Y175F in Complex with Pqq


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 Pqqc Active Site Mutant Y175F in Complex with Pqq within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl261 b:11.1 occ:1.00 NE D:ARG179 3.2 10.5 1.0 NE2 D:HIS154 3.2 11.2 1.0 NH2 D:ARG179 3.3 12.7 1.0 C5 D:PQQ500 3.4 9.5 1.0 C6A D:PQQ500 3.4 7.1 1.0 CB D:ALA150 3.5 9.5 1.0 CZ D:ARG179 3.7 12.3 1.0 C4 D:PQQ500 3.7 8.9 1.0 CB D:ALA183 3.7 11.3 1.0 C9A D:PQQ500 3.8 6.2 1.0 O5 D:PQQ500 3.9 10.7 1.0 N6 D:PQQ500 3.9 6.5 1.0 CD2 D:HIS154 3.9 9.4 1.0 CB D:ARG179 4.0 10.0 1.0 C3A D:PQQ500 4.0 6.7 1.0 C1A D:PQQ500 4.0 6.3 1.0 CG D:ARG179 4.2 9.4 1.0 CE1 D:HIS154 4.3 11.4 1.0 CD D:ARG179 4.3 12.2 1.0 O4 D:PQQ500 4.3 10.6 1.0 OE2 D:GLU147 4.4 11.6 1.0 CG D:GLU147 4.5 9.1 1.0 C7 D:PQQ500 4.6 7.3 1.0 C9 D:PQQ500 4.6 8.6 1.0 CA D:ALA183 4.7 10.5 1.0 O D:ARG179 4.9 11.4 1.0 C8 D:PQQ500 4.9 8.3 1.0 C3 D:PQQ500 5.0 8.0 1.0 CA D:ALA150 5.0 9.6 1.0

S.Puehringer, J.Rosefigura, M.Metlitzky, H.Toyama, J.P.Klinman, R.Schwarzenbacher. Structural Studies of Mutant Forms of the Pqq-Forming Enzyme Pqqc in the Presence of Product and Substrate Proteins V. 78 2554 2010.
ISSN: ISSN 0887-3585
PubMed: 20602352
DOI: 10.1002/PROT.22769