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Magnesium in PDB 1n2b: Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A

Enzymatic activity of Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A

All present enzymatic activity of Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A:
6.3.2.1;

Protein crystallography data

The structure of Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A, PDB code: 1n2b was solved by S.Wang, D.Eisenberg, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.76 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.134, 70.567, 81.770, 90.00, 99.23, 90.00
R / Rfree (%) 18.4 / 21.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A (pdb code 1n2b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A, PDB code: 1n2b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1n2b

Go back to Magnesium Binding Sites List in 1n2b
Magnesium binding site 1 out of 2 in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A


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 A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg901

b:62.9
occ:1.00
 O A:HOH1143 2.2 50.9 1.0
O2G A:APC801 2.3 65.0 1.0
O2B A:APC801 2.4 50.4 1.0
O2A A:APC801 2.6 58.3 1.0
O A:HOH1122 2.8 50.4 1.0
OD2 A:ASP161 3.3 28.6 1.0
OD1 A:ASP161 3.5 28.2 1.0
PG A:APC801 3.6 65.2 1.0
PB A:APC801 3.6 44.6 1.0
PA A:APC801 3.7 58.9 1.0
CG A:ASP161 3.7 25.2 1.0
O3B A:APC801 3.8 61.8 1.0
O5' A:APC801 3.9 53.4 1.0
C3A A:APC801 4.2 52.6 1.0
O1G A:APC801 4.3 68.4 1.0
O1 A:PAF1001 4.4 38.0 1.0
O2 A:PAF1001 4.4 42.5 1.0
NZ A:LYS160 4.5 45.0 1.0
C1 A:PAF1001 4.6 38.9 1.0
CE A:LYS160 4.7 40.8 1.0
NH1 A:ARG198 4.8 60.8 1.0
O3G A:APC801 4.8 66.3 1.0
O1B A:APC801 4.8 48.9 1.0
OH A:TYR82 5.0 27.4 1.0
CB A:ASP161 5.0 21.4 1.0

Magnesium binding site 2 out of 2 in 1n2b

Go back to Magnesium Binding Sites List in 1n2b
Magnesium binding site 2 out of 2 in the Crystal Structure of A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A


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 A Pantothenate Synthetase From M. Tuberculosis in Complex with Ampcpp and Pantoate, Higher Occupancy of Pantoate and Lower Occupancy of Ampcpp in Subunit A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg902

b:28.1
occ:1.00
 O2B B:APC802 2.0 29.9 1.0
O B:HOH929 2.1 25.3 1.0
O2A B:APC802 2.1 24.6 1.0
O1G B:APC802 2.2 25.3 1.0
O B:HOH917 2.2 22.3 1.0
O B:HOH1021 2.7 42.0 1.0
PB B:APC802 3.1 24.6 1.0
PA B:APC802 3.2 25.5 1.0
O3B B:APC802 3.3 22.7 1.0
PG B:APC802 3.3 24.5 1.0
C3A B:APC802 3.6 23.4 1.0
O B:HOH1054 3.6 38.9 1.0
O5' B:APC802 3.8 25.1 1.0
NH2 B:ARG198 4.0 31.7 1.0
OD2 B:ASP161 4.1 21.2 1.0
NZ B:LYS160 4.1 25.7 1.0
OD1 B:ASP161 4.2 20.1 1.0
O3G B:APC802 4.3 25.5 1.0
O1B B:APC802 4.3 21.4 1.0
O B:HOH982 4.3 28.7 1.0
O2G B:APC802 4.4 22.7 1.0
O1A B:APC802 4.5 29.4 1.0
CG B:ASP161 4.5 20.0 1.0
CE B:LYS160 4.6 26.1 1.0
OG B:SER196 4.8 26.4 1.0
CZ B:ARG198 5.0 37.8 1.0

Reference:

S.Wang, D.Eisenberg. Crystal Structures of A Pantothenate Synthetase From M. Tuberculosis and Its Complexes with Substrates and A Reaction Intermediate Protein Sci. V. 12 1097 2003.
ISSN: ISSN 0961-8368
PubMed: 12717031
DOI: 10.1110/PS.0241803
Page generated: Tue Aug 13 09:20:07 2024

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