Magnesium in PDB 3rim: Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C)

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C):
2.2.1.1;

The structure of Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C), PDB code: 3rim was solved by F.Pojer, E.Fullam, T.A.Jones, S.T.Cole, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.49
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.530, 80.120, 130.100, 82.20, 81.16, 66.37
R / Rfree (%)	22.3 / 27.2

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C) (pdb code 3rim). 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 Mycobacterium Tuberculosis Transketolase (RV1449C), PDB code: 3rim:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C)


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 Mycobacterium Tuberculosis Transketolase (RV1449C) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:9.5 occ:1.00 OD2 A:ASP177 1.9 22.1 1.0 O A:ILE209 1.9 21.6 1.0 O2A A:TPP1002 2.0 15.5 1.0 OD1 A:ASN207 2.0 29.2 1.0 O A:HOH779 2.4 21.2 1.0 O2B A:TPP1002 2.5 14.1 1.0 CG A:ASP177 3.0 21.3 1.0 CG A:ASN207 3.0 26.8 1.0 C A:ILE209 3.1 22.7 1.0 PA A:TPP1002 3.3 20.6 1.0 CB A:ASP177 3.5 20.0 1.0 ND2 A:ASN207 3.5 26.2 1.0 N A:ILE209 3.7 23.7 1.0 PB A:TPP1002 3.7 15.9 1.0 O3A A:TPP1002 3.9 20.3 1.0 CA A:ILE209 3.9 22.5 1.0 OD1 A:ASP177 4.0 22.0 1.0 O7 A:TPP1002 4.2 19.8 1.0 N A:ASP177 4.2 19.7 1.0 N A:SER210 4.2 22.5 1.0 O A:ASP205 4.3 23.9 1.0 CB A:ASN207 4.4 25.4 1.0 N A:ASN207 4.4 25.1 1.0 CB A:ILE209 4.4 22.6 1.0 O1A A:TPP1002 4.5 15.4 1.0 CA A:ASP177 4.5 20.0 1.0 CA A:SER210 4.6 22.8 1.0 O3B A:TPP1002 4.6 17.7 1.0 C A:ASN207 4.6 25.5 1.0 N A:GLN208 4.6 25.5 1.0 CA A:ASN207 4.6 25.4 1.0 O1B A:TPP1002 4.7 15.9 1.0 CB A:SER210 4.8 22.6 1.0 C A:GLN208 4.8 24.8 1.0 CG2 A:ILE209 5.0 20.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C)


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 Mycobacterium Tuberculosis Transketolase (RV1449C) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:2.0 occ:1.00 O B:HOH819 1.8 24.8 1.0 O2A B:TPP1002 1.9 16.0 1.0 O B:ILE209 1.9 21.4 1.0 O2B B:TPP1002 2.0 17.4 1.0 OD2 B:ASP177 2.1 21.6 1.0 OD1 B:ASN207 2.2 28.6 1.0 PA B:TPP1002 3.1 20.4 1.0 CG B:ASP177 3.1 21.4 1.0 C B:ILE209 3.2 22.4 1.0 CG B:ASN207 3.2 26.6 1.0 PB B:TPP1002 3.2 18.7 1.0 O3A B:TPP1002 3.4 21.8 1.0 CB B:ASP177 3.5 19.7 1.0 ND2 B:ASN207 3.6 26.3 1.0 N B:ILE209 3.9 23.3 1.0 O7 B:TPP1002 4.0 22.9 1.0 CA B:ILE209 4.0 22.4 1.0 N B:ASP177 4.1 19.6 1.0 O3B B:TPP1002 4.1 18.8 1.0 O1B B:TPP1002 4.2 19.5 1.0 N B:SER210 4.2 22.5 1.0 OD1 B:ASP177 4.3 22.5 1.0 O1A B:TPP1002 4.4 20.2 1.0 CA B:ASP177 4.4 20.1 1.0 O B:ASP205 4.5 23.6 1.0 CB B:ILE209 4.5 22.3 1.0 CA B:SER210 4.5 22.9 1.0 CB B:ASN207 4.6 24.9 1.0 N B:ASN207 4.6 24.9 1.0 CB B:SER210 4.8 22.1 1.0 CB B:SER176 4.8 18.4 1.0 CA B:ASN207 4.9 25.2 1.0 C B:ASN207 4.9 25.5 1.0 N B:GLN208 4.9 25.4 1.0 CG2 B:ILE209 4.9 20.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C)


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 Mycobacterium Tuberculosis Transketolase (RV1449C) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1001 b:22.1 occ:1.00 O2B C:TPP1002 2.0 32.6 1.0 OD2 C:ASP177 2.0 22.7 1.0 O C:HOH760 2.0 7.8 1.0 OD1 C:ASN207 2.1 30.1 1.0 O C:ILE209 2.3 21.3 1.0 O2A C:TPP1002 2.3 32.0 1.0 CG C:ASP177 2.9 21.7 1.0 CG C:ASN207 3.0 26.9 1.0 CB C:ASP177 3.4 20.4 1.0 PB C:TPP1002 3.4 31.5 1.0 ND2 C:ASN207 3.4 26.4 1.0 C C:ILE209 3.5 22.8 1.0 PA C:TPP1002 3.5 30.9 1.0 O3A C:TPP1002 3.7 32.8 1.0 N C:ASP177 3.8 20.1 1.0 OD1 C:ASP177 4.0 22.9 1.0 O C:ASP205 4.0 24.3 1.0 N C:ILE209 4.1 24.4 1.0 O1B C:TPP1002 4.1 24.7 1.0 CA C:ASP177 4.2 20.5 1.0 O7 C:TPP1002 4.3 23.4 1.0 CA C:ILE209 4.3 23.1 1.0 CB C:ASN207 4.3 26.0 1.0 N C:ASN207 4.4 25.2 1.0 O3B C:TPP1002 4.5 27.8 1.0 N C:SER210 4.6 22.5 1.0 O1A C:TPP1002 4.6 31.7 1.0 CB C:SER176 4.6 18.8 1.0 CA C:ASN207 4.7 25.7 1.0 C C:ASN207 4.8 25.9 1.0 OD2 C:ASP205 4.8 26.9 1.0 C C:SER176 4.9 19.9 1.0 CB C:ILE209 4.9 23.1 1.0 N C:GLN208 4.9 26.2 1.0 CA C:SER210 4.9 23.3 1.0 OG C:SER176 5.0 19.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Transketolase (RV1449C)


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 Mycobacterium Tuberculosis Transketolase (RV1449C) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1001 b:7.6 occ:1.00 O2B D:TPP1002 1.9 5.7 1.0 OD2 D:ASP177 2.0 22.4 1.0 O2A D:TPP1002 2.2 17.3 1.0 O D:HOH838 2.2 20.1 1.0 OD1 D:ASN207 2.3 29.2 1.0 O D:ILE209 2.4 22.0 1.0 CG D:ASP177 2.9 21.1 1.0 CG D:ASN207 3.2 26.5 1.0 PB D:TPP1002 3.2 12.0 1.0 PA D:TPP1002 3.4 16.4 1.0 CB D:ASP177 3.5 19.7 1.0 ND2 D:ASN207 3.5 25.7 1.0 O3A D:TPP1002 3.6 12.3 1.0 C D:ILE209 3.7 22.2 1.0 N D:ASP177 3.8 20.0 1.0 O D:ASP205 4.0 24.6 1.0 OD1 D:ASP177 4.0 20.9 1.0 O3B D:TPP1002 4.0 8.0 1.0 O7 D:TPP1002 4.1 14.0 1.0 O1B D:TPP1002 4.2 7.3 1.0 CA D:ASP177 4.3 19.7 1.0 N D:ILE209 4.3 23.3 1.0 O D:HOH840 4.4 26.7 1.0 CB D:SER176 4.5 18.5 1.0 O1A D:TPP1002 4.5 17.3 1.0 N D:ASN207 4.5 25.0 1.0 CA D:ILE209 4.6 22.1 1.0 CB D:ASN207 4.6 25.4 1.0 N D:SER210 4.7 21.9 1.0 C D:SER176 4.9 19.6 1.0 CA D:SER210 4.9 22.4 1.0 CA D:ASN207 4.9 25.0 1.0 CA D:SER176 5.0 18.7 1.0

E.Fullam, F.Pojer, T.Bergfors, T.A.Jones, S.T.Cole. Structure and Function of the Transketolase From Mycobacterium Tuberculosis and Comparison with the Human Enzyme. Open Biol V. 2 10026 2012.
ISSN: ISSN 2046-2441
PubMed: 22645655
DOI: 10.1098/RSOB.110026