Magnesium in PDB 1slh: Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp

All present enzymatic activity of Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp:
3.6.1.23;

The structure of Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp, PDB code: 1slh was solved by M.R.Sawaya, S.Chan, B.Segelke, T.Lekin, H.Krupka, U.S.Cho, M.-Y.Kim, M.So, C.-Y.Kim, C.M.Naranjo, Y.C.Rogers, M.S.Park, G.S.Waldo, I.Pashkov, D.Cascio, T.O.Yeates, J.L.Perry, T.C.Terwilliger, D.Eisenberg, Tb Structural Genomicsconsortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.77 / 3.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.273, 108.273, 100.792, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 26.5

The binding sites of Magnesium atom in the Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp (pdb code 1slh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp, PDB code: 1slh:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3171 b:36.7 occ:1.00 O B:HOH542 1.7 23.1 1.0 O2B B:DUD3170 2.2 31.1 1.0 O1A B:DUD3170 2.3 31.7 1.0 O B:HOH543 2.8 53.7 1.0 PA B:DUD3170 3.5 30.4 1.0 PB B:DUD3170 3.5 32.0 1.0 O3A B:DUD3170 3.8 31.9 1.0 O5' B:DUD3170 3.9 28.2 1.0 OD2 A:ASP28 4.3 32.1 1.0 OD1 A:ASP28 4.3 33.6 1.0 O1B B:DUD3170 4.4 30.3 1.0 NH2 A:ARG64 4.4 37.7 1.0 O3B B:DUD3170 4.5 30.7 1.0 C5' B:DUD3170 4.6 31.0 1.0 CG A:ASP28 4.7 33.2 1.0 O A:HOH514 4.8 26.6 1.0 NE A:ARG64 4.8 38.7 1.0 O2A B:DUD3170 4.9 31.6 1.0

Magnesium binding site 2 out of 3 in the Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1171 b:23.9 occ:1.00 O1B C:DUD1170 2.5 46.3 1.0 O1A C:DUD1170 3.0 45.2 1.0 O3A C:DUD1170 3.1 45.1 1.0 PB C:DUD1170 3.4 45.0 1.0 PA C:DUD1170 3.6 44.3 1.0 O5' C:DUD1170 3.8 44.2 1.0 OD1 B:ASP28 3.9 38.5 1.0 OD2 B:ASP28 4.0 34.8 1.0 O2B C:DUD1170 4.1 45.4 1.0 NH2 B:ARG64 4.2 36.7 1.0 CG B:ASP28 4.4 35.9 1.0 O C:HOH513 4.4 32.3 1.0 NE B:ARG64 4.5 36.5 1.0 O3B C:DUD1170 4.6 44.6 1.0 C5' C:DUD1170 4.6 41.2 1.0 CZ B:ARG64 4.8 35.5 1.0

Magnesium binding site 3 out of 3 in the Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mycobacterium Tuberculosis Dutpase Complexed with Magnesium and Dudp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg2171 b:48.1 occ:1.00 O1A A:DUD2170 2.4 61.6 1.0 O2B A:DUD2170 2.4 63.8 1.0 OD1 C:ASP28 3.3 40.1 1.0 O A:HOH506 3.3 14.5 1.0 OD2 C:ASP28 3.5 41.4 1.0 PB A:DUD2170 3.8 63.4 1.0 PA A:DUD2170 3.8 60.6 1.0 NH2 C:ARG64 3.8 40.4 1.0 NE C:ARG64 3.9 41.9 1.0 CG C:ASP28 3.9 39.2 1.0 O3A A:DUD2170 4.0 62.0 1.0 CZ C:ARG64 4.3 40.5 1.0 O5' A:DUD2170 4.6 57.4 1.0 O3B A:DUD2170 4.6 62.5 1.0 O1B A:DUD2170 4.8 62.1 1.0 O2A A:DUD2170 4.9 57.8 1.0 CD C:ARG64 5.0 39.0 1.0

S.Chan, B.Segelke, T.Lekin, H.Krupka, U.S.Cho, M.-Y.Kim, M.So, C.-Y.Kim, C.M.Naranjo, Y.C.Rogers, M.S.Park, G.S.Waldo, I.Pashkov, D.Cascio, J.L.Perry, M.R.Sawaya. Crystal Structure of the Mycobacterium Tuberculosis Dutpase: Insights Into the Catalytic Mechanism. J.Mol.Biol. V. 341 503 2004.
ISSN: ISSN 0022-2836
PubMed: 15276840
DOI: 10.1016/J.JMB.2004.06.028