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Magnesium in PDB 3zhs: Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate

Enzymatic activity of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate

All present enzymatic activity of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate:
1.2.4.2; 2.2.1.5; 2.3.1.61; 4.1.1.71;

Protein crystallography data

The structure of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate, PDB code: 3zhs was solved by T.Wagner, N.Barilone, M.Bellinzoni, P.M.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.75 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 80.846, 83.713, 159.940, 99.89, 99.03, 100.20
R / Rfree (%) 20.04 / 22.83

Other elements in 3zhs:

The structure of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate (pdb code 3zhs). 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 Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate, PDB code: 3zhs:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3zhs

Go back to Magnesium Binding Sites List in 3zhs
Magnesium binding site 1 out of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate


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 Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2002

b:12.8
occ:1.00
O A:ILE680 2.0 22.1 1.0
O1B A:TD62001 2.0 16.7 1.0
O2A A:TD62001 2.1 15.4 1.0
OD1 A:ASN678 2.1 25.3 1.0
OD1 A:ASP645 2.2 20.1 1.0
O A:HOH3074 2.3 10.1 1.0
O3A A:TD62001 3.1 21.4 1.0
CG A:ASN678 3.2 27.8 1.0
C A:ILE680 3.2 21.6 1.0
PB A:TD62001 3.2 20.4 1.0
PA A:TD62001 3.3 20.2 1.0
CG A:ASP645 3.3 21.6 1.0
ND2 A:ASN678 3.6 15.2 1.0
OD2 A:ASP645 3.8 20.6 1.0
O2B A:TD62001 4.0 21.4 1.0
N A:ILE680 4.0 19.4 1.0
O7 A:TD62001 4.0 20.2 1.0
N A:GLY681 4.1 15.6 1.0
N A:ASP645 4.1 16.2 1.0
CA A:GLY681 4.1 16.1 1.0
CA A:ILE680 4.2 18.4 1.0
O A:HOH3042 4.3 17.2 1.0
O3B A:TD62001 4.3 22.2 1.0
N A:ALA646 4.4 16.4 1.0
O1A A:TD62001 4.4 21.0 1.0
CG2 A:ILE680 4.4 17.7 1.0
N A:ASN678 4.5 19.0 1.0
CB A:ASN678 4.5 17.4 1.0
CB A:ASP645 4.5 18.6 1.0
O A:VAL676 4.6 19.6 1.0
N A:GLN679 4.7 17.0 1.0
CA A:ASP645 4.7 16.2 1.0
C A:ASN678 4.8 20.4 1.0
CA A:ASN678 4.8 18.8 1.0
C A:GLY644 4.9 20.2 1.0
CA A:GLY644 5.0 19.2 1.0
CB A:ILE680 5.0 21.1 1.0

Magnesium binding site 2 out of 4 in 3zhs

Go back to Magnesium Binding Sites List in 3zhs
Magnesium binding site 2 out of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate


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 Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2002

b:17.9
occ:1.00
O B:HOH3070 2.1 17.3 1.0
O1B B:TD62001 2.1 12.8 1.0
OD1 B:ASN678 2.1 25.7 1.0
OD1 B:ASP645 2.1 18.1 1.0
O2A B:TD62001 2.1 22.4 1.0
O B:ILE680 2.2 19.4 1.0
O3A B:TD62001 3.1 28.9 1.0
CG B:ASN678 3.1 30.9 1.0
PB B:TD62001 3.1 20.8 1.0
CG B:ASP645 3.3 21.8 1.0
PA B:TD62001 3.3 27.2 1.0
C B:ILE680 3.4 21.8 1.0
ND2 B:ASN678 3.5 22.6 1.0
O2B B:TD62001 3.8 20.0 1.0
OD2 B:ASP645 3.9 24.1 1.0
N B:ASP645 3.9 19.5 1.0
O7 B:TD62001 4.1 21.7 1.0
N B:ILE680 4.2 20.2 1.0
N B:GLY681 4.3 18.8 1.0
O B:VAL676 4.3 21.7 1.0
N B:ASN678 4.3 19.8 1.0
CA B:GLY681 4.4 19.4 1.0
CA B:ILE680 4.4 19.2 1.0
N B:ALA646 4.4 17.9 1.0
O1A B:TD62001 4.4 28.4 1.0
O3B B:TD62001 4.4 17.9 1.0
CB B:ASP645 4.4 22.0 1.0
CB B:ASN678 4.4 14.3 1.0
O B:HOH3039 4.5 24.8 1.0
CG2 B:ILE680 4.6 23.2 1.0
CA B:ASP645 4.6 19.2 1.0
CA B:ASN678 4.7 19.4 1.0
N B:GLN679 4.7 20.9 1.0
C B:GLY644 4.7 22.4 1.0
CA B:GLY644 4.8 19.8 1.0
C B:ASN678 4.8 25.2 1.0

Magnesium binding site 3 out of 4 in 3zhs

Go back to Magnesium Binding Sites List in 3zhs
Magnesium binding site 3 out of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate


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 Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg2002

b:14.4
occ:1.00
O C:ILE680 2.1 18.9 1.0
OD1 C:ASN678 2.1 26.2 1.0
O1B C:TD62001 2.1 20.0 1.0
O2A C:TD62001 2.1 19.9 1.0
OD1 C:ASP645 2.2 20.5 1.0
O C:HOH3064 2.3 9.9 1.0
CG C:ASN678 3.1 27.0 1.0
O3A C:TD62001 3.1 26.9 1.0
PB C:TD62001 3.2 25.3 1.0
C C:ILE680 3.3 21.8 1.0
CG C:ASP645 3.3 23.5 1.0
PA C:TD62001 3.3 26.8 1.0
ND2 C:ASN678 3.5 16.2 1.0
OD2 C:ASP645 3.9 30.9 1.0
O2B C:TD62001 3.9 21.9 1.0
N C:ASP645 4.0 17.3 1.0
N C:ILE680 4.1 21.8 1.0
O7 C:TD62001 4.1 22.0 1.0
N C:GLY681 4.2 18.0 1.0
CA C:GLY681 4.3 17.4 1.0
CA C:ILE680 4.3 21.4 1.0
O C:HOH3036 4.3 22.7 1.0
N C:ASN678 4.4 23.2 1.0
O3B C:TD62001 4.4 22.8 1.0
CB C:ASN678 4.4 21.4 1.0
O C:VAL676 4.4 23.3 1.0
O1A C:TD62001 4.4 30.6 1.0
N C:ALA646 4.4 19.7 1.0
CB C:ASP645 4.5 19.2 1.0
CG2 C:ILE680 4.5 23.3 1.0
N C:GLN679 4.7 21.7 1.0
CA C:ASP645 4.7 17.2 1.0
CA C:ASN678 4.7 22.7 1.0
C C:ASN678 4.7 25.4 1.0
C C:GLY644 4.9 22.1 1.0
CA C:GLY644 4.9 21.3 1.0

Magnesium binding site 4 out of 4 in 3zhs

Go back to Magnesium Binding Sites List in 3zhs
Magnesium binding site 4 out of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate


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 Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From Alpha-Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2002

b:19.9
occ:1.00
O D:ILE680 2.0 18.8 1.0
OD1 D:ASP645 2.1 24.1 1.0
O1B D:TD62001 2.1 13.9 1.0
OD1 D:ASN678 2.1 26.1 1.0
O2A D:TD62001 2.1 22.6 1.0
O D:HOH3061 2.2 21.3 1.0
O3A D:TD62001 3.2 29.9 1.0
CG D:ASN678 3.2 24.3 1.0
C D:ILE680 3.2 20.3 1.0
CG D:ASP645 3.2 24.5 1.0
PB D:TD62001 3.3 23.6 1.0
PA D:TD62001 3.4 25.0 1.0
ND2 D:ASN678 3.6 20.7 1.0
OD2 D:ASP645 3.8 27.1 1.0
N D:ILE680 3.9 20.7 1.0
O2B D:TD62001 4.0 21.0 1.0
N D:ASP645 4.0 23.7 1.0
N D:GLY681 4.1 15.9 1.0
O7 D:TD62001 4.1 21.1 1.0
CA D:ILE680 4.2 19.9 1.0
CA D:GLY681 4.2 16.0 1.0
N D:ASN678 4.3 21.6 1.0
N D:ALA646 4.4 18.7 1.0
CB D:ASP645 4.4 23.6 1.0
CG2 D:ILE680 4.4 22.3 1.0
O1A D:TD62001 4.4 29.3 1.0
O D:VAL676 4.5 23.6 1.0
O3B D:TD62001 4.5 24.4 1.0
O D:HOH3034 4.5 25.8 1.0
CB D:ASN678 4.5 13.2 1.0
N D:GLN679 4.6 20.1 1.0
CA D:ASP645 4.6 21.9 1.0
C D:ASN678 4.7 25.2 1.0
CA D:ASN678 4.7 19.9 1.0
C D:GLY644 4.8 26.4 1.0
CA D:GLY644 4.9 22.8 1.0
CB D:ILE680 4.9 22.9 1.0

Reference:

T.Wagner, N.Barilone, P.M.Alzari, M.Bellinzoni. A Dual Conformation of the Post-Decarboxylation Intermediate Is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J. V. 457 425 2014.
ISSN: ISSN 0264-6021
PubMed: 24171907
DOI: 10.1042/BJ20131142
Page generated: Mon Dec 14 09:03:22 2020

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