Iron in PDB 4h9u: Structure of Geobacillus Kaustophilus Lactonase, Wild-Type with ZN2+

The structure of Structure of Geobacillus Kaustophilus Lactonase, Wild-Type with ZN2+, PDB code: 4h9u 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)	19.89 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.340, 157.122, 49.936, 90.00, 116.18, 90.00
R / Rfree (%)	17.2 / 21.7

The structure of Structure of Geobacillus Kaustophilus Lactonase, Wild-Type 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, Wild-Type with ZN2+ (pdb code 4h9u). 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, Wild-Type with ZN2+, PDB code: 4h9u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Wild-Type 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, Wild-Type with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:14.4 occ:1.00 NE2 A:HIS25 2.1 8.0 1.0 NE2 A:HIS23 2.2 6.7 1.0 OD1 A:ASP266 2.4 22.5 1.0 OQ1 A:KCX145 2.4 26.4 1.0 O A:OH403 2.5 20.3 1.0 CE1 A:HIS25 2.9 7.4 1.0 CD2 A:HIS23 3.1 6.9 1.0 CD2 A:HIS25 3.2 12.8 1.0 CG A:ASP266 3.2 21.0 1.0 CX A:KCX145 3.2 36.5 1.0 CE1 A:HIS23 3.3 8.9 1.0 O A:HOH612 3.4 29.6 1.0 OQ2 A:KCX145 3.4 14.9 1.0 OD2 A:ASP266 3.5 20.9 1.0 ZN A:ZN402 3.6 20.4 1.0 ND1 A:HIS25 4.1 9.7 1.0 CG A:HIS25 4.3 11.0 1.0 CG A:HIS23 4.3 9.1 1.0 CE1 A:HIS206 4.4 23.9 1.0 ND1 A:HIS23 4.4 8.6 1.0 NE2 A:HIS206 4.4 17.8 1.0 NZ A:KCX145 4.4 18.2 1.0 CG A:PRO69 4.4 7.7 1.0 CB A:ASP266 4.5 18.1 1.0 CA A:ASP266 5.0 12.9 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Wild-Type 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, Wild-Type with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:12.8 occ:1.00 NE2 B:HIS25 2.1 10.2 1.0 NE2 B:HIS23 2.2 13.2 1.0 OQ1 B:KCX145 2.3 23.4 1.0 OD1 B:ASP266 2.4 29.2 1.0 O B:OH403 2.6 14.6 1.0 CD2 B:HIS23 3.0 10.5 1.0 CX B:KCX145 3.1 12.3 1.0 CE1 B:HIS25 3.1 8.4 1.0 CG B:ASP266 3.2 24.2 1.0 CD2 B:HIS25 3.2 10.9 1.0 OQ2 B:KCX145 3.3 12.0 1.0 CE1 B:HIS23 3.3 15.3 1.0 OD2 B:ASP266 3.4 24.8 1.0 ZN B:ZN402 3.4 20.9 1.0 O B:HOH618 3.5 29.7 1.0 ND1 B:HIS25 4.2 8.5 1.0 NZ B:KCX145 4.2 24.6 1.0 CG B:HIS23 4.2 11.3 1.0 CG B:HIS25 4.3 17.9 1.0 CE1 B:HIS206 4.3 23.8 1.0 ND1 B:HIS23 4.3 8.0 1.0 NE2 B:HIS206 4.3 18.3 1.0 CB B:ASP266 4.5 18.8 1.0 CG B:PRO69 4.5 8.8 1.0 CA B:ASP266 4.9 19.8 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