Manganese in PDB 4dky: Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV]

The structure of Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV], PDB code: 4dky was solved by T.Bhowmick, U.A.Ramagopal, S.Ghosh, V.Nagaraja, S.Ramakumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.92 / 2.48
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.115, 37.052, 64.854, 90.00, 115.29, 90.00
R / Rfree (%)	18.3 / 24.8

The binding sites of Manganese atom in the Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV] (pdb code 4dky). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV], PDB code: 4dky:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV]


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV] within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:39.6 occ:1.00 O A:HOH322 2.4 30.5 1.0 CD A:ARG94 3.5 0.9 1.0 NH2 A:ARG94 3.7 0.2 1.0 NE A:ARG94 3.9 0.6 1.0 CZ A:ARG94 4.1 0.7 1.0 O A:VAL88 4.3 37.9 1.0 O A:GLN93 4.4 93.3 1.0 N A:LEU95 4.7 0.6 1.0 CG A:ARG94 4.8 0.5 1.0 CA A:ARG94 4.9 98.8 1.0 CA A:GLY91 4.9 96.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV]


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure Analysis of N Terminal Region Containing the Dimerization Domain and Dna Binding Domain of Hu Protein(Histone Like Protein-Dna Binding) From Mycobacterium Tuberculosis [H37RV] within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:41.4 occ:1.00 OE1 B:GLU98 2.1 69.0 1.0 OE2 B:GLU98 2.3 80.6 1.0 CD B:GLU98 2.5 80.0 1.0 CE1 B:HIS104 3.0 76.4 1.0 NH1 B:ARG94 3.1 74.8 1.0 CD B:ARG94 3.5 89.3 1.0 NE2 B:HIS104 3.6 84.0 1.0 CZ B:ARG94 3.9 80.7 1.0 ND1 B:HIS104 3.9 86.4 1.0 CG B:GLU98 4.0 85.0 1.0 NE B:ARG94 4.0 83.6 1.0 O B:VAL88 4.1 47.4 1.0 O B:GLN93 4.2 78.5 1.0 CD2 B:HIS104 4.6 90.7 1.0 N B:LEU95 4.7 73.1 1.0 CA B:GLY91 4.7 57.8 1.0 CA B:ARG94 4.7 77.3 1.0 CG B:ARG94 4.7 85.4 1.0 CB B:GLU98 4.8 91.1 1.0 CG B:HIS104 4.8 96.0 1.0 NH2 B:ARG94 5.0 82.4 1.0

T.Bhowmick, S.Ghosh, K.Dixit, V.Ganesan, U.A.Ramagopal, D.Dey, S.P.Sarma, S.Ramakumar, V.Nagaraja. Targeting Mycobacterium Tuberculosis Nucleoid-Associated Protein Hu with Structure-Based Inhibitors Nat Commun V. 5 4124 2014.
ISSN: ESSN 2041-1723
PubMed: 24916461
DOI: 10.1038/NCOMMS5124