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Bromine 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:

Magnesium (Mg) 4 atoms
Chlorine (Cl) 4 atoms
Zinc (Zn) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the Carboxyl Transferase Domain From Rhizobium Etli Pyruvate Carboxylase with 3-Bromopyruvate, PDB code: 4mim:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4mim

Go back to Bromine Binding Sites List in 4mim
Bromine binding site 1 out of 2 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 Bromine with other atoms in the Br 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:Br1102

b:38.3
occ:0.20
BR A:BPV1102 0.0 38.3 0.2
C3 A:BPV1102 2.0 35.4 0.2
ZN A:ZN1101 2.1 47.1 1.0
O3 A:BPV1102 2.4 53.7 0.8
OD1 A:ASP549 2.7 40.0 1.0
OQ1 A:KCX718 2.7 42.9 1.0
OQ2 A:KCX718 2.8 47.2 1.0
O A:HOH1237 2.9 42.5 1.0
CX A:KCX718 3.0 45.0 1.0
OD2 A:ASP549 3.1 46.8 1.0
C2 A:BPV1102 3.2 35.4 0.2
CG A:ASP549 3.2 44.4 1.0
C2 A:BPV1102 3.4 66.1 0.8
NE2 A:HIS749 3.4 39.3 1.0
O3 A:BPV1102 3.5 33.4 0.2
C3 A:BPV1102 3.8 67.5 0.8
CE1 A:HIS749 3.8 39.8 1.0
NH1 A:ARG548 3.9 48.6 1.0
NH2 A:ARG548 4.0 43.4 1.0
NZ A:KCX718 4.1 42.4 1.0
NE2 A:HIS747 4.2 43.4 1.0
CZ A:ARG548 4.4 46.8 1.0
C1 A:BPV1102 4.4 34.3 0.2
NE2 A:GLN552 4.5 37.6 1.0
CD2 A:HIS749 4.6 40.9 1.0
C1 A:BPV1102 4.6 56.4 0.8
CB A:ASP549 4.6 43.8 1.0
O2 A:BPV1102 4.6 34.5 0.2
O2 A:BPV1102 4.9 52.6 0.8
N A:GLY843 4.9 42.2 1.0
OG A:SER553 4.9 42.1 1.0
BR A:BPV1102 4.9 0.9 0.8
CE1 A:HIS747 4.9 43.0 1.0
CA A:GLY843 5.0 44.3 1.0

Bromine binding site 2 out of 2 in 4mim

Go back to Bromine Binding Sites List in 4mim
Bromine binding site 2 out of 2 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 Bromine with other atoms in the Br 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
A:Br1102

b:0.9
occ:0.80
BR A:BPV1102 0.0 0.9 0.8
C3 A:BPV1102 2.1 67.5 0.8
O3 A:BPV1102 3.0 33.4 0.2
OG1 A:THR882 3.1 44.2 1.0
C2 A:BPV1102 3.3 66.1 0.8
CB A:PRO841 3.6 35.1 1.0
C2 A:BPV1102 3.6 35.4 0.2
O A:HOH1237 3.8 42.5 1.0
O A:HOH1254 3.8 53.9 1.0
N A:THR882 3.9 41.0 1.0
CG A:PRO841 3.9 35.3 1.0
O3 A:BPV1102 4.0 53.7 0.8
C1 A:BPV1102 4.2 56.4 0.8
C1 A:BPV1102 4.2 34.3 0.2
CB A:THR882 4.3 43.4 1.0
CG2 A:VAL881 4.3 38.1 1.0
OG A:SER885 4.5 44.2 1.0
C3 A:BPV1102 4.6 35.4 0.2
CA A:VAL881 4.6 39.4 1.0
O1 A:BPV1102 4.6 48.7 0.8
O1 A:BPV1102 4.6 33.2 0.2
CA A:THR882 4.6 43.2 1.0
C A:VAL881 4.6 40.5 1.0
N A:GLN844 4.7 40.3 1.0
C A:GLY843 4.7 41.5 1.0
CA A:GLY843 4.8 44.3 1.0
CB A:GLN844 4.8 42.8 1.0
O2 A:BPV1102 4.9 34.5 0.2
BR A:BPV1102 4.9 38.3 0.2
O2 A:BPV1102 5.0 52.6 0.8

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 02:21:31 2020

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