Chlorine in PDB 7vgc: Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr

All present enzymatic activity of Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr:
3.4.21.26;

The structure of Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr, PDB code: 7vgc was solved by P.Huang, S.Q.Yang, Z.Q.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.96 / 2.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.108, 65.622, 91.765, 90, 105.29, 90
R / Rfree (%)	19.5 / 27.1

The binding sites of Chlorine atom in the Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr (pdb code 7vgc). 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 Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr, PDB code: 7vgc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr


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 Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:26.0 occ:1.00 N A:THR495 3.4 41.0 1.0 NH2 A:ARG492 3.6 46.5 1.0 CA A:TYR494 4.0 37.1 1.0 NH1 A:ARG492 4.1 51.2 1.0 CD1 A:TYR494 4.1 34.3 1.0 C A:TYR494 4.1 39.9 1.0 NE A:ARG496 4.2 41.3 1.0 CD A:ARG496 4.2 37.8 1.0 CB A:THR495 4.2 39.2 1.0 CZ A:ARG492 4.3 49.8 1.0 CB A:TYR494 4.3 34.3 1.0 CA A:THR495 4.3 39.2 1.0 N A:ARG496 4.4 38.6 1.0 CG A:ARG496 4.6 38.9 1.0 CZ A:ARG496 4.6 40.9 1.0 OG1 A:THR495 4.6 36.3 1.0 CG A:TYR494 4.7 33.2 1.0 NH2 A:ARG496 4.9 43.9 1.0 C A:THR495 4.9 40.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr


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 Prolyl Oligopeptidase From Microbulbifer Arenaceous Complex with A Transition State Analog Inhibitor Zpr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:46.7 occ:1.00 NH2 A:ARG561 3.3 35.8 1.0 NE2 A:HIS681 3.3 45.0 1.0 O A:HOH966 3.4 28.9 1.0 CD2 A:HIS681 3.7 44.6 1.0 CD A:ARG561 3.8 36.9 1.0 CB A:SER562 3.8 34.8 1.0 O A:HOH962 3.8 28.2 1.0 O2 A:ZPR801 4.1 38.8 1.0 OG A:SER562 4.2 37.9 1.0 C1 A:ZPR801 4.3 36.9 1.0 OH A:TYR482 4.3 34.7 1.0 CZ A:ARG561 4.3 37.0 1.0 NE A:ARG561 4.5 38.6 1.0 CE1 A:TYR482 4.5 33.0 1.0 CE1 A:HIS681 4.5 43.3 1.0 O9 A:ZPR801 4.6 38.2 1.0 CG A:ARG561 4.7 34.4 1.0 CZ A:TYR482 4.8 33.4 1.0 O A:HOH961 4.9 25.8 1.0 CG A:HIS681 5.0 43.1 1.0 O A:ARG561 5.0 39.6 1.0

P.Huang, A.Lv, Q.Yan, Z.Jiang, S.Yang. The Structure and Molecular Dynamics of Prolyl Oligopeptidase From Microbulbifer Arenaceous Provide Insights Into Catalytic and Regulatory Mechanisms. Acta Crystallogr D Struct V. 78 735 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35647921
DOI: 10.1107/S2059798322004247