Manganese in PDB 4h9z: Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+, PDB code: 4h9z was solved by B.Xue, J.Y.Chow, W.S.Yew, R.C.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.226, 127.817, 51.515, 90.00, 95.32, 90.00
R / Rfree (%)	18.3 / 24.6

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+ also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Manganese atom in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+ (pdb code 4h9z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+, PDB code: 4h9z:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:33.6 occ:1.00 NE2 A:HIS206 2.4 33.7 1.0 OQ2 A:KCX145 2.4 33.6 1.0 ND1 A:HIS178 2.6 12.3 1.0 OH A:TYR99 2.9 38.2 1.0 FE A:FE401 3.2 18.5 1.0 CE1 A:HIS206 3.3 37.0 1.0 CX A:KCX145 3.3 24.3 1.0 OQ1 A:KCX145 3.4 10.8 1.0 CD2 A:HIS206 3.4 34.0 1.0 CE1 A:HIS178 3.5 20.4 1.0 O A:HOH509 3.5 36.9 1.0 CG A:HIS178 3.6 15.1 1.0 OD2 A:ASP266 3.7 14.2 1.0 CB A:HIS178 3.9 19.1 1.0 CZ A:TYR99 3.9 33.3 1.0 CE1 A:TYR99 4.1 24.3 1.0 NE2 A:HIS23 4.3 22.1 1.0 ND1 A:HIS206 4.4 37.8 1.0 CE1 A:HIS23 4.5 33.8 1.0 NZ A:KCX145 4.5 13.8 1.0 CG A:HIS206 4.5 36.9 1.0 NH2 A:ARG230 4.6 85.9 1.0 NE2 A:HIS178 4.7 20.5 1.0 CG A:ASP266 4.7 19.4 1.0 CD2 A:HIS178 4.7 18.7 1.0 CA A:HIS178 4.8 23.1 1.0 OD1 A:ASP266 4.9 27.0 1.0 CE A:KCX145 4.9 23.1 1.0

Manganese binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:30.6 occ:1.00 NE2 B:HIS206 2.4 34.3 1.0 OQ2 B:KCX145 2.4 35.0 1.0 ND1 B:HIS178 2.7 15.3 1.0 OH B:TYR99 2.9 40.5 1.0 FE B:FE401 3.1 22.7 1.0 CE1 B:HIS206 3.2 37.5 1.0 CX B:KCX145 3.3 26.4 1.0 OQ1 B:KCX145 3.4 12.5 1.0 CD2 B:HIS206 3.4 33.1 1.0 CE1 B:HIS178 3.5 20.1 1.0 OD2 B:ASP266 3.6 15.9 1.0 CG B:HIS178 3.7 16.7 1.0 CZ B:TYR99 3.9 35.1 1.0 CB B:HIS178 3.9 20.9 1.0 CE1 B:TYR99 4.0 23.7 1.0 NE2 B:HIS23 4.3 21.5 1.0 ND1 B:HIS206 4.4 37.9 1.0 O B:HOH510 4.4 35.4 1.0 CE1 B:HIS23 4.4 33.7 1.0 NZ B:KCX145 4.5 16.5 1.0 CG B:HIS206 4.5 37.4 1.0 NH2 B:ARG230 4.6 85.7 1.0 CG B:ASP266 4.6 19.5 1.0 NE2 B:HIS178 4.7 19.8 1.0 CD2 B:HIS178 4.8 16.5 1.0 OD1 B:ASP266 4.8 28.8 1.0 CA B:HIS178 4.8 22.6 1.0 CZ B:ARG230 5.0 83.9 1.0 CE B:KCX145 5.0 19.0 1.0

B.Xue, J.Y.Chow, A.Baldansuren, L.L.Yap, Y.H.Gan, S.A.Dikanov, R.C.Robinson, W.S.Yew. Structural Evidence of A Productive Active Site Architecture For An Evolved Quorum-Quenching Gkl Lactonase. Biochemistry V. 52 2359 2013.
ISSN: ISSN 0006-2960
PubMed: 23461395
DOI: 10.1021/BI4000904