Chlorine in PDB 3tw7: Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A

All present enzymatic activity of Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A:
6.4.1.1;

The structure of Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A, PDB code: 3tw7 was solved by M.St Maurice, S.Kumar, A.D.Lietzan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.10
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	264.158, 264.158, 91.790, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 29.2

The structure of Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A (pdb code 3tw7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A, PDB code: 3tw7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:24.9 occ:1.00 N A:VAL990 3.4 50.6 1.0 N A:LYS989 3.6 54.0 1.0 CB A:LYS989 3.6 56.3 1.0 C A:TYR987 3.7 48.3 1.0 CA A:TYR987 3.7 46.3 1.0 N A:PRO988 3.9 50.1 1.0 CG2 A:VAL990 3.9 46.9 1.0 CB A:TYR987 3.9 44.7 1.0 CD A:PRO988 4.0 50.5 1.0 CD1 A:TYR987 4.0 43.2 1.0 CA A:LYS989 4.0 55.2 1.0 O A:TYR987 4.0 48.4 1.0 CE2 A:TYR628 4.0 80.8 1.0 CB A:VAL990 4.1 46.3 1.0 C A:LYS989 4.2 53.3 1.0 CZ A:TYR628 4.3 81.3 1.0 CA A:VAL990 4.3 48.8 1.0 CG A:TYR987 4.4 42.8 1.0 OH A:TYR628 4.4 81.5 1.0 CD2 A:TYR628 4.5 77.8 1.0 C A:PRO988 4.5 53.5 1.0 CG A:PRO988 4.7 53.1 1.0 CA A:PRO988 4.8 52.3 1.0 CE1 A:TYR628 4.9 81.4 1.0 CG A:LYS989 5.0 58.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Rhizobium Etli Pyruvate Carboxylase T882A Crystallized Without Acetyl Coenzyme-A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1202 b:30.7 occ:1.00 N B:LYS989 3.2 41.0 1.0 N B:VAL990 3.3 38.6 1.0 C B:TYR987 3.4 37.5 1.0 CA B:TYR987 3.5 36.3 1.0 N B:PRO988 3.5 38.9 1.0 CB B:LYS989 3.6 42.7 1.0 CD B:PRO988 3.7 39.5 1.0 CA B:LYS989 3.8 41.7 1.0 CB B:TYR987 3.8 35.0 1.0 CE2 B:TYR628 3.9 49.8 1.0 O B:TYR987 3.9 37.3 1.0 CD1 B:TYR987 4.0 34.3 1.0 C B:LYS989 4.0 40.3 1.0 CB B:VAL990 4.0 36.1 1.0 C B:PRO988 4.1 40.5 1.0 CG2 B:VAL990 4.1 36.3 1.0 CG B:PRO988 4.2 41.2 1.0 CA B:VAL990 4.2 37.5 1.0 CA B:PRO988 4.3 40.1 1.0 CG B:TYR987 4.4 33.8 1.0 CD2 B:TYR628 4.5 47.8 1.0 CZ B:TYR628 4.6 51.1 1.0 OH B:TYR628 4.6 53.0 1.0 CB B:PRO988 4.9 41.5 1.0 N B:TYR987 4.9 35.9 1.0

A.D.Lietzan, A.L.Menefee, T.N.Zeczycki, S.Kumar, P.V.Attwood, J.C.Wallace, W.W.Cleland, M.St Maurice. Interaction Between the Biotin Carboxyl Carrier Domain and the Biotin Carboxylase Domain in Pyruvate Carboxylase From Rhizobium Etli. Biochemistry V. 50 9708 2011.
ISSN: ISSN 0006-2960
PubMed: 21958016
DOI: 10.1021/BI201277J