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Chlorine in PDB 4mim: Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate

Enzymatic activity of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate

All present enzymatic activity of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate:
6.4.1.1;

Protein crystallography data

The structure of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate, PDB code: 4mim was solved by A.D.Lietzan, M.St. Maurice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.13 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.592, 157.060, 243.098, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 23.5

Other elements in 4mim:

The structure of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate also contains other interesting chemical elements:

Bromine (Br) 2 atoms
Magnesium (Mg) 4 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate (pdb code 4mim). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate, PDB code: 4mim:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4mim

Go back to Chlorine Binding Sites List in 4mim
Chlorine binding site 1 out of 4 in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1103

b:55.8
occ:1.00
 N A:LYS989 3.2 55.5 1.0
N A:VAL990 3.4 54.0 1.0
N A:PRO988 3.5 53.3 1.0
C A:TYR987 3.6 50.7 1.0
CA A:TYR987 3.6 49.6 1.0
CD A:PRO988 3.8 52.5 1.0
CB A:LYS989 3.8 64.9 1.0
CD1 A:TYR987 3.9 47.7 1.0
CA A:LYS989 3.9 61.2 1.0
CB A:TYR987 4.0 49.0 1.0
CB A:VAL990 4.1 51.2 1.0
CG2 A:VAL990 4.2 47.2 1.0
C A:PRO988 4.2 56.5 1.0
CG A:PRO988 4.2 53.7 1.0
C A:LYS989 4.2 59.8 1.0
O A:TYR987 4.2 47.8 1.0
CA A:PRO988 4.4 54.0 1.0
CA A:VAL990 4.4 50.5 1.0
CG A:TYR987 4.4 45.7 1.0
CB A:PRO988 4.9 55.0 1.0
CE1 A:TYR987 4.9 45.2 1.0
N A:TYR987 4.9 48.7 1.0
NH1 A:ARG594 5.0 70.8 1.0

Chlorine binding site 2 out of 4 in 4mim

Go back to Chlorine Binding Sites List in 4mim
Chlorine binding site 2 out of 4 in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1104

b:88.0
occ:1.00
 N B:VAL990 2.7 0.8 1.0
N B:LYS989 2.9 0.5 1.0
C B:TYR987 3.2 0.3 1.0
N B:PRO988 3.4 0.8 1.0
CA B:TYR987 3.4 0.2 1.0
CA B:LYS989 3.5 1.0 1.0
C B:LYS989 3.5 0.9 1.0
O B:TYR987 3.6 0.4 1.0
C B:PRO988 3.6 0.8 1.0
CB B:TYR987 3.6 0.6 1.0
CA B:VAL990 3.7 1.0 1.0
CB B:VAL990 3.8 0.0 1.0
CB B:LYS989 3.8 0.4 1.0
CD B:PRO988 3.9 0.8 1.0
CD1 B:TYR987 3.9 0.8 1.0
CA B:PRO988 4.0 0.4 1.0
CG B:TYR987 4.3 0.5 1.0
O B:PRO988 4.5 0.7 1.0
N B:PHE991 4.6 0.5 1.0
CB B:PRO988 4.6 0.6 1.0
O B:LYS989 4.7 0.4 1.0
C B:VAL990 4.7 0.1 1.0
CG B:PRO988 4.8 0.1 1.0
N B:TYR987 4.8 0.1 1.0

Chlorine binding site 3 out of 4 in 4mim

Go back to Chlorine Binding Sites List in 4mim
Chlorine binding site 3 out of 4 in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1103

b:74.8
occ:1.00
 N C:LYS989 3.2 78.3 1.0
N C:VAL990 3.4 76.7 1.0
C C:TYR987 3.5 76.7 1.0
N C:PRO988 3.5 77.2 1.0
CA C:TYR987 3.6 77.3 1.0
CD C:PRO988 3.9 79.4 1.0
CB C:LYS989 3.9 78.8 1.0
CA C:LYS989 3.9 79.6 1.0
CB C:TYR987 4.0 72.9 1.0
CD1 C:TYR987 4.0 69.1 1.0
CG2 C:VAL990 4.1 70.5 1.0
O C:TYR987 4.1 78.7 1.0
C C:PRO988 4.1 80.4 1.0
CB C:VAL990 4.1 71.7 1.0
C C:LYS989 4.2 81.5 1.0
CA C:PRO988 4.3 78.7 1.0
CA C:VAL990 4.4 74.6 1.0
CG C:PRO988 4.4 81.9 1.0
CG C:TYR987 4.5 69.6 1.0
CB C:PRO988 4.8 80.5 1.0
N C:TYR987 5.0 80.2 1.0

Chlorine binding site 4 out of 4 in 4mim

Go back to Chlorine Binding Sites List in 4mim
Chlorine binding site 4 out of 4 in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1103

b:81.0
occ:1.00
 N D:LYS989 3.1 0.8 1.0
N D:PRO988 3.4 0.6 1.0
C D:TYR987 3.5 96.0 1.0
CD D:PRO988 3.5 1.0 1.0
N D:VAL990 3.5 96.8 1.0
CA D:TYR987 3.6 93.6 1.0
CB D:LYS989 3.8 0.5 1.0
CA D:LYS989 3.8 0.4 1.0
CG D:PRO988 3.9 0.1 1.0
O D:TYR987 4.1 93.5 1.0
CG2 D:VAL990 4.1 90.6 1.0
C D:PRO988 4.1 0.5 1.0
CB D:TYR987 4.2 89.7 1.0
C D:LYS989 4.2 99.6 1.0
CA D:PRO988 4.2 0.3 1.0
CD1 D:TYR987 4.2 87.8 1.0
CB D:VAL990 4.5 91.0 1.0
CB D:PRO988 4.6 0.2 1.0
CA D:VAL990 4.6 95.5 1.0
CG D:TYR987 4.7 87.6 1.0
N D:TYR987 4.9 95.6 1.0

Reference:

A.D.Lietzan, M.St. Maurice. Insights Into the Carboxyltransferase Reaction of Pyruvate Carboxylase From the Structures of Bound Product and Intermediate Analogs. Biochem.Biophys.Res.Commun. V. 441 377 2013.
ISSN: ISSN 0006-291X
PubMed: 24157795
DOI: 10.1016/J.BBRC.2013.10.066
Page generated: Sat Dec 12 10:55:52 2020

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