Manganese in PDB 3orm: Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant

The structure of Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant, PDB code: 3orm was solved by N.Echols, T.N.Lombana, T.Alber, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.458, 51.076, 134.746, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 28.8

The binding sites of Manganese atom in the Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant (pdb code 3orm). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant, PDB code: 3orm:

Manganese binding site 1 out of 1 in the Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mycobacterium Tuberculosis Pknb Kinase Domain D76A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn341 b:66.3 occ:1.00 O2B A:AGS340 2.1 42.9 1.0 OD2 A:ASP156 2.4 63.5 1.0 OD1 A:ASP156 2.5 71.8 1.0 S1G A:AGS340 2.6 50.4 1.0 CG A:ASP156 2.8 64.1 1.0 PB A:AGS340 3.5 45.3 1.0 PG A:AGS340 3.7 56.0 1.0 O3G A:AGS340 3.8 58.5 1.0 O A:HOH311 3.9 38.8 1.0 O3B A:AGS340 4.0 65.9 1.0 NZ A:LYS40 4.0 42.5 1.0 O A:HOH310 4.1 42.4 1.0 OE2 A:GLU59 4.1 56.2 1.0 NH1 A:ARG55 4.1 76.8 1.0 O1B A:AGS340 4.2 58.4 1.0 OE1 A:GLU59 4.2 63.9 1.0 CB A:ASP156 4.3 54.5 1.0 CD A:GLU59 4.5 57.7 1.0 O A:HOH309 4.5 56.0 1.0 O3A A:AGS340 4.6 74.6 1.0 OD2 A:ASP138 4.8 54.2 1.0 O1A A:AGS340 4.8 45.6 1.0 SD A:MET22 4.8 71.6 1.0 O2A A:AGS340 4.9 58.5 1.0 O A:ASP156 5.0 31.7 1.0 CE A:LYS40 5.0 43.2 1.0 PA A:AGS340 5.0 42.0 1.0

T.N.Lombana, N.Echols, M.C.Good, N.D.Thomsen, H.L.Ng, A.E.Greenstein, A.M.Falick, D.S.King, T.Alber. Allosteric Activation Mechanism of the Mycobacterium Tuberculosis Receptor Ser/Thr Protein Kinase, Pknb. Structure V. 18 1667 2010.
ISSN: ISSN 0969-2126
PubMed: 21134645
DOI: 10.1016/J.STR.2010.09.019