Magnesium in PDB 8swm: Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

Enzymatic activity of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate

All present enzymatic activity of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate:
1.1.1.86;

Protein crystallography data

The structure of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate, PDB code: 8swm was solved by X.Lin, T.Lonhienne, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.34 / 3.00
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 130.715, 130.715, 130.715, 90, 90, 90
R / Rfree (%) 22.5 / 24.9

Other elements in 8swm:

The structure of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate (pdb code 8swm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate, PDB code: 8swm:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8swm

Go back to Magnesium Binding Sites List in 8swm
Magnesium binding site 1 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:97.6
occ:1.00
 OAD A:X2X404 2.4 98.2 1.0
OE2 A:GLU196 2.5 90.7 1.0
OAE A:X2X404 2.6 93.7 1.0
CAH A:X2X404 2.9 109.7 1.0
OD2 A:ASP192 2.9 77.3 1.0
CD A:GLU196 3.5 79.2 1.0
OE1 A:GLU196 3.8 68.8 1.0
CG A:ASP192 4.1 77.6 1.0
NE2 A:HIS109 4.1 97.1 1.0
CE1 A:HIS109 4.3 85.1 1.0
CAI A:X2X404 4.4 113.7 1.0
CD2 A:HIS109 4.7 94.6 1.0
CD2 A:LEU193 4.7 68.0 1.0
OD1 A:ASP192 4.8 92.6 1.0
CG A:GLU196 4.8 75.2 1.0
OD2 A:ASP84 4.9 116.5 1.0
OAF A:X2X404 4.9 100.7 1.0
ND1 A:HIS109 4.9 87.9 1.0
MG A:MG402 4.9 108.2 1.0
CB A:ASP192 4.9 75.1 1.0

Magnesium binding site 2 out of 3 in 8swm

Go back to Magnesium Binding Sites List in 8swm
Magnesium binding site 2 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:108.2
occ:1.00
 OD1 A:ASP192 1.9 92.6 1.0
OAC A:X2X404 2.4 98.5 1.0
CG A:ASP192 2.8 77.6 1.0
CAG A:X2X404 2.9 97.5 1.0
OD2 A:ASP192 3.2 77.3 1.0
OAE A:X2X404 3.2 93.7 1.0
CAA A:X2X404 3.3 86.1 1.0
OE2 A:GLU196 3.4 90.7 1.0
CG A:GLU196 3.6 75.2 1.0
CAH A:X2X404 3.8 109.7 1.0
CD A:GLU196 4.0 79.2 1.0
CAI A:X2X404 4.0 113.7 1.0
O A:ASP192 4.1 66.1 1.0
CB A:ASP192 4.1 75.1 1.0
CA A:ASP192 4.3 63.2 1.0
CD1 A:LEU200 4.4 62.5 1.0
C A:ASP192 4.5 66.4 1.0
OAD A:X2X404 4.8 98.2 1.0
CAB A:X2X404 4.9 100.3 1.0
MG A:MG401 4.9 97.6 1.0
OAF A:X2X404 5.0 100.7 1.0

Magnesium binding site 3 out of 3 in 8swm

Go back to Magnesium Binding Sites List in 8swm
Magnesium binding site 3 out of 3 in the Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Campylobacter Jejuni Ketol-Acid Reductoisomerase in Complex with 2-Acetolactate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:77.7
occ:1.00
 OD1 A:ASP291 3.6 80.5 1.0
CD1 A:LEU294 3.9 61.7 1.0
O A:HOH510 4.0 56.8 1.0
CG A:ASP291 4.8 75.2 1.0
CA A:ASP291 4.9 58.3 1.0
CE A:LYS290 4.9 63.4 1.0

Reference:

X.Lin, T.Lonhienne, Y.Lv, J.Kurz, R.Mcgeary, G.Schenk, L.W.Guddat. Mapping of the Reaction Trajectory Catalyzed By Class I Ketol-Acid Reductoisomerase Acs Catalysis 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C00958
Page generated: Fri Oct 4 20:15:57 2024

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