Iron in PDB 4h9y: Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with ZN2+

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with ZN2+, PDB code: 4h9y 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)	19.76 / 2.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.473, 128.507, 51.497, 90.00, 95.80, 90.00
R / Rfree (%)	19 / 22.7

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with ZN2+ also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with ZN2+ (pdb code 4h9y). 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 ZN2+, PDB code: 4h9y:
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 ZN2+


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 ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.5 occ:1.00 NE2 A:HIS25 2.2 22.0 1.0 NE2 A:HIS23 2.3 20.8 1.0 OD1 A:ASP266 2.4 23.2 1.0 O A:OH403 2.5 36.1 1.0 OQ1 A:KCX145 2.5 25.4 1.0 CD2 A:HIS23 3.1 18.8 1.0 CE1 A:HIS25 3.1 15.7 1.0 CG A:ASP266 3.1 28.9 1.0 CD2 A:HIS25 3.2 27.1 1.0 OD2 A:ASP266 3.3 24.1 1.0 CE1 A:HIS23 3.4 19.1 1.0 CX A:KCX145 3.4 42.1 1.0 ZN A:ZN402 3.6 35.3 0.9 OQ2 A:KCX145 3.7 31.9 1.0 ND1 A:HIS25 4.2 21.8 1.0 CG A:HIS25 4.3 31.3 1.0 CG A:HIS23 4.3 22.4 1.0 ND1 A:HIS23 4.4 18.7 1.0 CG A:PRO69 4.4 20.4 1.0 CB A:ASP266 4.4 24.5 1.0 CE1 A:HIS206 4.5 37.0 1.0 O A:HOH625 4.5 51.9 1.0 NE2 A:HIS206 4.6 30.1 1.0 NZ A:KCX145 4.6 29.1 1.0 CA A:ASP266 4.8 24.2 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with ZN2+


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 ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:20.9 occ:1.00 NE2 B:HIS25 2.1 18.6 1.0 NE2 B:HIS23 2.3 21.4 1.0 OD1 B:ASP266 2.3 22.2 1.0 O B:OH403 2.5 37.8 1.0 OQ1 B:KCX145 2.5 25.7 1.0 CD2 B:HIS23 3.0 20.0 1.0 CE1 B:HIS25 3.1 15.0 1.0 CG B:ASP266 3.1 27.1 1.0 CD2 B:HIS25 3.1 27.0 1.0 OD2 B:ASP266 3.3 23.3 1.0 CE1 B:HIS23 3.4 20.2 1.0 CX B:KCX145 3.4 45.0 1.0 ZN B:ZN402 3.6 37.5 0.9 OQ2 B:KCX145 3.7 32.3 1.0 ND1 B:HIS25 4.2 21.5 1.0 CG B:HIS25 4.3 29.4 1.0 CG B:HIS23 4.3 21.0 1.0 ND1 B:HIS23 4.4 19.1 1.0 CG B:PRO69 4.4 21.7 1.0 CB B:ASP266 4.4 21.1 1.0 CE1 B:HIS206 4.5 35.8 1.0 O B:HOH618 4.5 48.6 1.0 NE2 B:HIS206 4.6 30.3 1.0 NZ B:KCX145 4.6 35.0 1.0 CA B:ASP266 4.8 20.8 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