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Magnesium in PDB 7toc: Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris

Enzymatic activity of Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris

All present enzymatic activity of Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris:
1.1.1.86;

Protein crystallography data

The structure of Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris, PDB code: 7toc was solved by Y.Kim, E.Evdokimova, R.Di, P.Stogios, S.Savchenko, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.12 / 2.43
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 145.555, 145.555, 244.349, 90, 90, 120
R / Rfree (%) 18 / 20.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris (pdb code 7toc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris, PDB code: 7toc:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7toc

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Magnesium binding site 1 out of 4 in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris


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 the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg505

b:81.3
occ:1.00
 O9 A:MLI502 2.2 72.6 1.0
OD1 A:ASP260 2.2 84.3 1.0
O A:HOH606 2.4 60.6 1.0
OE1 A:GLU264 2.4 69.9 1.0
OE2 A:GLU264 2.9 80.7 1.0
CD A:GLU264 3.0 78.5 1.0
C3 A:MLI502 3.4 79.2 1.0
CG A:ASP260 3.4 80.3 1.0
CE1 A:HIS176 3.6 70.6 1.0
O2D A:NDP501 3.8 69.1 1.0
OG B:SER322 3.9 63.8 1.0
NE2 A:HIS176 3.9 76.0 1.0
ND1 A:HIS176 4.0 71.3 1.0
C2 A:MLI502 4.1 81.9 1.0
OD2 A:ASP260 4.2 87.6 1.0
O8 A:MLI502 4.2 62.5 1.0
C1 A:MLI502 4.3 65.2 1.0
O7 A:MLI502 4.3 79.8 1.0
CB A:ASP260 4.4 75.7 1.0
O6 A:MLI502 4.4 99.2 1.0
CD2 A:HIS176 4.4 73.3 1.0
CG A:GLU264 4.5 73.0 1.0
CG A:HIS176 4.5 71.2 1.0
CB B:ALA325 4.6 57.8 1.0
N B:ALA325 4.6 71.6 1.0
CB B:THR324 4.7 74.7 1.0
CB B:SER322 4.8 65.2 1.0
CD2 A:LEU261 4.8 67.7 1.0
C A:ASP260 4.9 72.1 1.0
O A:ASP260 4.9 77.4 1.0
C2D A:NDP501 4.9 64.3 1.0
CA B:ALA325 4.9 69.7 1.0
CG2 B:THR324 4.9 71.3 1.0

Magnesium binding site 2 out of 4 in 7toc

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Magnesium binding site 2 out of 4 in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris


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 the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:63.1
occ:1.00
 O A:HOH622 1.9 54.8 1.0
OD1 B:ASP260 2.1 69.9 1.0
O B:HOH610 2.1 69.8 1.0
O6 A:MLI504 2.2 67.2 1.0
O8 A:MLI504 2.2 67.5 1.0
OE1 B:GLU264 2.3 70.8 1.0
CG B:ASP260 3.1 69.2 1.0
CD B:GLU264 3.1 69.7 1.0
C2 A:MLI504 3.2 65.0 1.0
C3 A:MLI504 3.3 70.4 1.0
OE2 B:GLU264 3.3 71.1 1.0
OD2 B:ASP260 3.5 66.9 1.0
C1 A:MLI504 3.6 64.4 1.0
NE2 B:HIS176 4.0 62.6 1.0
O2D B:NDP501 4.1 56.1 1.0
MG B:MG504 4.2 92.2 1.0
OG A:SER322 4.2 64.4 1.0
CE1 B:HIS176 4.2 64.1 1.0
O7 A:MLI504 4.3 59.9 1.0
CD2 B:HIS176 4.3 64.1 1.0
O9 A:MLI504 4.4 65.2 1.0
CB B:ASP260 4.4 69.3 1.0
O B:HOH605 4.5 55.7 1.0
CG B:GLU264 4.5 70.9 1.0
CB A:ALA325 4.6 62.9 1.0
ND1 B:HIS176 4.7 60.5 1.0
O A:HOH620 4.7 61.7 1.0
C4N B:NDP501 4.7 56.6 1.0
CG B:HIS176 4.7 64.5 1.0
O B:ASP260 4.9 70.9 1.0
N1N B:NDP501 4.9 60.5 1.0
C B:ASP260 4.9 70.5 1.0
C2N B:NDP501 4.9 58.6 1.0
C5N B:NDP501 5.0 50.6 1.0
C6N B:NDP501 5.0 55.5 1.0

Magnesium binding site 3 out of 4 in 7toc

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Magnesium binding site 3 out of 4 in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris


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 the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg504

b:92.2
occ:1.00
 O A:HOH601 1.9 81.0 1.0
OD2 B:ASP260 2.0 66.9 1.0
O B:HOH602 2.2 72.8 1.0
O9 A:MLI504 2.3 65.2 1.0
O8 A:MLI504 2.4 67.5 1.0
C3 A:MLI504 2.7 70.4 1.0
O A:HOH620 3.0 61.7 1.0
CG B:ASP260 3.1 69.2 1.0
NZ B:LYS202 3.4 71.1 1.0
OE1 A:GLU300 3.5 61.4 1.0
OD1 B:ASP260 3.7 69.9 1.0
OE2 A:GLU296 3.8 86.5 1.0
O B:HOH605 4.0 55.7 1.0
O B:PRO201 4.1 52.1 1.0
MG B:MG503 4.2 63.1 1.0
O A:HOH622 4.2 54.8 1.0
C1 A:MLI504 4.2 64.4 1.0
CD B:LYS202 4.2 61.5 1.0
OE1 A:GLU296 4.2 79.1 1.0
CB B:ASP260 4.3 69.3 1.0
OE2 A:GLU300 4.3 57.6 1.0
CD A:GLU300 4.4 62.0 1.0
CE B:LYS202 4.4 64.8 1.0
CA B:LYS202 4.4 54.7 1.0
C5N B:NDP501 4.4 50.6 1.0
C4N B:NDP501 4.4 56.6 1.0
CD A:GLU296 4.4 79.0 1.0
OE1 B:GLU264 4.5 70.8 1.0
CA B:ASP260 4.7 70.4 1.0
OE2 B:GLU256 4.8 65.7 1.0
N B:GLY203 4.9 51.1 1.0
C B:PRO201 4.9 51.9 1.0
C2 A:MLI504 5.0 65.0 1.0
C B:LYS202 5.0 55.5 1.0

Magnesium binding site 4 out of 4 in 7toc

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Magnesium binding site 4 out of 4 in the Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg505

b:106.1
occ:1.00
 OE2 B:GLU296 2.2 86.6 1.0
O6 A:MLI502 2.3 99.2 1.0
OD2 A:ASP260 2.4 87.6 1.0
O7 A:MLI502 2.6 79.8 1.0
C2 A:MLI502 2.7 81.9 1.0
OE1 B:GLU300 2.9 75.7 1.0
CD B:GLU296 3.2 85.3 1.0
CG A:ASP260 3.2 80.3 1.0
NZ A:LYS202 3.5 75.7 1.0
OE1 B:GLU296 3.5 90.4 1.0
CD A:LYS202 3.7 61.4 1.0
CD B:GLU300 3.7 69.8 1.0
OE2 B:GLU300 3.8 71.5 1.0
OD1 A:ASP260 3.8 84.3 1.0
CB A:ASP260 4.2 75.7 1.0
CE A:LYS202 4.2 67.8 1.0
CA A:ASP260 4.2 76.9 1.0
C1 A:MLI502 4.2 65.2 1.0
CA A:LYS202 4.3 59.6 1.0
CG B:GLU296 4.6 79.5 1.0
CD1 A:LEU268 4.6 68.6 1.0
O A:PRO201 4.6 68.1 1.0
CB A:LYS202 4.7 66.0 1.0
CG A:LYS202 4.8 70.5 1.0
C A:LYS202 4.9 60.2 1.0
O A:ASP260 4.9 77.4 1.0

Reference:

Y.Kim, E.Evdokimova, R.Di, P.Stogios, S.Savchenko, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Mitochondrial Ketol-Acid Reductoisomerase Ilvc From Candida Auris To Be Published.
Page generated: Thu Oct 3 09:23:34 2024

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