Iron 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:

Manganese

(Mn)

2 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with MN2+, PDB code: 4h9z:
Jump to Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe401 b:18.5 occ:1.00 NE2 A:HIS25 2.3 8.9 1.0 NE2 A:HIS23 2.4 22.1 1.0 OD1 A:ASP266 2.5 27.0 1.0 OQ1 A:KCX145 2.6 10.8 1.0 O A:HOH509 2.9 36.9 1.0 OD2 A:ASP266 3.0 14.2 1.0 CG A:ASP266 3.0 19.4 1.0 MN A:MN402 3.2 33.6 1.0 CD2 A:HIS23 3.3 29.9 1.0 CD2 A:HIS25 3.3 12.4 1.0 CX A:KCX145 3.3 24.3 1.0 CE1 A:HIS25 3.3 8.7 1.0 CE1 A:HIS23 3.5 33.8 1.0 OQ2 A:KCX145 3.6 33.6 1.0 NZ A:KCX145 4.3 13.8 1.0 CB A:ASP266 4.4 18.8 1.0 CE1 A:HIS206 4.4 37.0 1.0 ND1 A:HIS25 4.4 19.2 1.0 CG A:HIS25 4.4 20.3 1.0 CG A:HIS23 4.4 27.5 1.0 NE2 A:HIS206 4.5 33.7 1.0 ND1 A:HIS23 4.5 24.7 1.0 CG A:PRO69 4.7 23.1 1.0 OH A:TYR99 4.8 38.2 1.0 CA A:ASP266 4.9 24.1 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe401 b:22.7 occ:1.00 NE2 B:HIS25 2.3 11.0 1.0 OD1 B:ASP266 2.5 28.8 1.0 NE2 B:HIS23 2.5 21.5 1.0 OQ1 B:KCX145 2.5 12.5 1.0 OD2 B:ASP266 3.0 15.9 1.0 CG B:ASP266 3.0 19.5 1.0 MN B:MN402 3.1 30.6 1.0 CX B:KCX145 3.2 26.4 1.0 CD2 B:HIS25 3.2 14.8 1.0 CD2 B:HIS23 3.3 31.4 1.0 CE1 B:HIS25 3.3 10.6 1.0 CE1 B:HIS23 3.5 33.7 1.0 O B:HOH510 3.5 35.4 1.0 OQ2 B:KCX145 3.6 35.0 1.0 NZ B:KCX145 4.2 16.5 1.0 CB B:ASP266 4.4 17.8 1.0 CE1 B:HIS206 4.4 37.5 1.0 ND1 B:HIS25 4.4 20.9 1.0 CG B:HIS25 4.4 19.8 1.0 CG B:HIS23 4.5 27.6 1.0 NE2 B:HIS206 4.5 34.3 1.0 ND1 B:HIS23 4.5 24.4 1.0 OH B:TYR99 4.6 40.5 1.0 CG B:PRO69 4.7 21.2 1.0 CA B:ASP266 4.9 23.4 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