Chlorine in PDB 1jqn: Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp

All present enzymatic activity of Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp:
4.1.1.31;

The structure of Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp, PDB code: 1jqn was solved by H.Matsumura, Y.Kai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 2.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	117.950, 249.060, 83.120, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.1

The structure of Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp (pdb code 1jqn). 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 E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp, PDB code: 1jqn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp


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 E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:57.9 occ:1.00 CL1 A:DCO901 0.0 57.9 1.0 C4 A:DCO901 1.7 54.6 1.0 C2 A:DCO901 2.7 50.9 1.0 O1 A:DCO901 2.8 49.0 1.0 CL2 A:DCO901 2.9 56.6 1.0 CE A:MET538 2.9 35.0 1.0 C1 A:DCO901 3.0 48.8 1.0 CA A:GLY580 3.4 34.5 1.0 CA A:GLY540 4.1 34.0 1.0 C3 A:DCO901 4.1 47.7 1.0 SD A:MET538 4.1 35.5 1.0 O2 A:DCO901 4.2 48.0 1.0 N A:ARG581 4.2 36.7 1.0 CD1 A:LEU504 4.2 27.9 1.0 NH2 A:ARG396 4.3 33.9 1.0 O A:ILE539 4.4 35.0 1.0 C A:GLY580 4.4 35.2 1.0 N A:GLY580 4.4 35.5 1.0 CD2 A:LEU504 4.6 27.7 1.0 CH2 A:TRP248 4.7 29.3 1.0 N A:GLY540 4.9 34.3 1.0 CG A:MET538 4.9 33.8 1.0 C A:ILE539 5.0 34.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp


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 E.Coli Phosphoenolpyruvate Carboxylase in Complex with MN2+ and Dcdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:56.6 occ:1.00 CL2 A:DCO901 0.0 56.6 1.0 C4 A:DCO901 1.7 54.6 1.0 C2 A:DCO901 2.8 50.9 1.0 CL1 A:DCO901 2.9 57.9 1.0 C3 A:DCO901 3.2 47.7 1.0 O5 A:DCO901 3.4 47.0 1.0 CD A:ARG581 3.4 47.9 1.0 CG A:ARG581 3.5 44.6 1.0 N A:ARG581 3.8 36.7 1.0 CZ3 A:TRP248 3.9 27.5 1.0 P1 A:DCO901 4.0 51.8 1.0 CH2 A:TRP248 4.1 29.3 1.0 NH2 A:ARG396 4.1 33.9 1.0 O A:HOH1065 4.1 41.2 1.0 C1 A:DCO901 4.1 48.8 1.0 CB A:ARG581 4.1 40.7 1.0 CA A:GLY580 4.5 34.5 1.0 CE A:MET538 4.5 35.0 1.0 CA A:ARG581 4.6 38.8 1.0 C A:GLY580 4.6 35.2 1.0 O1 A:DCO901 4.7 49.0 1.0 NE A:ARG581 4.8 50.8 1.0 CZ A:ARG396 4.9 34.0 1.0 OG1 A:THR611 5.0 41.8 1.0 O3 A:DCO901 5.0 49.4 1.0 CE3 A:TRP248 5.0 28.2 1.0

H.Matsumura, Y.Xie, S.Shirakata, T.Inoue, T.Yoshinaga, Y.Ueno, K.Izui, Y.Kai. Crystal Structures of C4 Form Maize and Quaternary Complex of E. Coli Phosphoenolpyruvate Carboxylases. Structure V. 10 1721 2002.
ISSN: ISSN 0969-2126
PubMed: 12467579
DOI: 10.1016/S0969-2126(02)00913-9