Manganese in PDB 3ork: Mycobacterium Tuberculosis Pknb Kinase Domain L33D Mutant (Crystal Form 2)

The structure of Mycobacterium Tuberculosis Pknb Kinase Domain L33D Mutant (Crystal Form 2), PDB code: 3ork was solved by N.Echols, T.N.Lombana, N.D.Thomsen, H.-L.Ng, T.Alber, Tb Structuralgenomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.341, 51.603, 155.126, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 18

The binding sites of Manganese atom in the Mycobacterium Tuberculosis Pknb Kinase Domain L33D Mutant (Crystal Form 2) (pdb code 3ork). 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 L33D Mutant (Crystal Form 2), PDB code: 3ork:

Manganese binding site 1 out of 1 in the Mycobacterium Tuberculosis Pknb Kinase Domain L33D Mutant (Crystal Form 2)


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 L33D Mutant (Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn341 b:13.3 occ:0.80 OD2 A:ASP156 2.1 23.2 1.0 O2A A:AGS340 2.1 12.3 0.7 OD1 A:ASN143 2.2 13.7 1.0 O1B A:AGS340 2.2 10.3 0.7 O A:HOH363 2.2 15.7 1.0 O A:HOH359 2.3 13.9 1.0 O2A A:AGS340 2.6 17.6 0.3 O1A A:AGS340 2.7 12.4 0.3 PA A:AGS340 3.2 15.2 0.3 CG A:ASP156 3.3 21.1 1.0 CG A:ASN143 3.3 13.3 1.0 PA A:AGS340 3.4 14.1 0.7 PB A:AGS340 3.4 14.5 0.7 O3A A:AGS340 3.6 13.6 0.7 CB A:ASP156 3.8 17.6 1.0 ND2 A:ASN143 3.8 13.5 1.0 O5' A:AGS340 3.9 10.2 0.7 NZ A:LYS40 4.1 24.7 1.0 O A:HOH397 4.2 23.9 1.0 O3B A:AGS340 4.2 22.4 0.3 OD1 A:ASP156 4.3 25.4 1.0 O2G A:AGS340 4.3 26.8 0.7 O A:HOH492 4.3 27.9 1.0 O A:ALA142 4.4 13.2 1.0 O2B A:AGS340 4.4 15.5 0.7 O5' A:AGS340 4.4 14.9 0.3 O3A A:AGS340 4.4 15.9 0.3 O A:HOH342 4.5 40.9 1.0 CB A:ASN143 4.5 12.9 1.0 CG A:MET155 4.5 15.3 1.0 O3B A:AGS340 4.6 17.6 0.7 O1A A:AGS340 4.6 16.0 0.7 CA A:ASN143 4.6 13.3 1.0 S1G A:AGS340 4.7 31.8 0.3 PB A:AGS340 4.8 18.8 0.3 C A:ALA142 4.8 12.7 1.0 O2B A:AGS340 4.9 19.9 0.3 CE A:LYS140 4.9 17.1 1.0 N A:ASN143 5.0 12.5 1.0 SD A:MET155 5.0 20.2 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 Kinase, Pknb Structure V. 18 1667 2010.
ISSN: ISSN 0969-2126