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Bromine in PDB 4mz1: Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12

Enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12

All present enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12, PDB code: 4mz1 was solved by Y.Kim, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak, Csgid, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.57 / 2.40
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 118.062, 118.062, 435.160, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.2

Other elements in 4mz1:

The structure of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 also contains other interesting chemical elements:

Potassium (K) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 (pdb code 4mz1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12, PDB code: 4mz1:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 4mz1

Go back to Bromine Binding Sites List in 4mz1
Bromine binding site 1 out of 3 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:97.0
occ:1.00
BR1 A:2F1501 0.0 97.0 1.0
C7 A:2F1501 1.9 45.7 1.0
C6 A:2F1501 2.9 38.6 1.0
C8 A:2F1501 2.9 47.1 1.0
ND1 A:HIS247 3.8 46.2 1.0
CB A:HIS247 4.1 39.8 1.0
C5 A:2F1501 4.2 41.8 1.0
C9 A:2F1501 4.2 47.4 1.0
CG A:HIS247 4.4 42.4 1.0
C4 A:2F1501 4.7 46.8 1.0
CE1 A:HIS247 4.9 44.7 1.0

Bromine binding site 2 out of 3 in 4mz1

Go back to Bromine Binding Sites List in 4mz1
Bromine binding site 2 out of 3 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br501

b:0.5
occ:1.00
BR1 B:2F1501 0.0 0.5 1.0
C7 B:2F1501 1.9 51.0 1.0
C6 B:2F1501 2.9 50.1 1.0
C8 B:2F1501 2.9 50.7 1.0
ND1 B:HIS247 3.8 33.4 1.0
C5 B:2F1501 4.2 51.9 1.0
C9 B:2F1501 4.2 52.2 1.0
CB B:HIS247 4.2 32.4 1.0
CG B:HIS247 4.4 36.0 1.0
C4 B:2F1501 4.7 52.9 1.0
CE1 B:HIS247 4.9 37.4 1.0

Bromine binding site 3 out of 3 in 4mz1

Go back to Bromine Binding Sites List in 4mz1
Bromine binding site 3 out of 3 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br503

b:0.2
occ:1.00
BR1 C:2F1503 0.0 0.2 1.0
C7 C:2F1503 1.9 39.2 1.0
C6 C:2F1503 2.8 31.7 1.0
C8 C:2F1503 2.9 40.5 1.0
CD2 C:HIS247 3.6 39.9 1.0
CB C:HIS247 3.9 36.5 1.0
CG C:HIS247 4.0 41.3 1.0
C5 C:2F1503 4.1 39.5 1.0
C9 C:2F1503 4.2 43.1 1.0
C4 C:2F1503 4.7 46.2 1.0
NE2 C:HIS247 4.8 42.5 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak. Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound P12 To Be Published 2013.
Page generated: Wed Jul 10 22:07:14 2024

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