Iron in PDB 4ha0: Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D with ZN2+

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D with ZN2+, PDB code: 4ha0 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)	19.98 / 1.90
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.974, 76.218, 134.765, 90.00, 90.00, 90.00
R / Rfree (%)	25.9 / 30.3

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D 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 R230D with ZN2+ (pdb code 4ha0). 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 R230D with ZN2+, PDB code: 4ha0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D 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 R230D with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:29.7 occ:0.95 NE2 A:HIS23 2.3 46.6 1.0 NE2 A:HIS25 2.3 42.7 1.0 O A:OH403 2.3 41.3 1.0 OQ1 A:KCX145 2.3 34.9 1.0 OD1 A:ASP266 2.4 61.3 1.0 CX A:KCX145 3.1 46.0 1.0 OQ2 A:KCX145 3.1 44.1 1.0 CD2 A:HIS23 3.1 44.1 1.0 CD2 A:HIS25 3.2 42.7 1.0 CG A:ASP266 3.2 61.5 1.0 CE1 A:HIS25 3.3 42.7 1.0 CE1 A:HIS23 3.3 44.1 1.0 ZN A:ZN402 3.4 33.1 0.8 OD2 A:ASP266 3.5 61.2 1.0 NE2 A:HIS206 4.3 55.4 1.0 NZ A:KCX145 4.3 33.7 1.0 CG A:HIS23 4.3 44.6 1.0 ND1 A:HIS25 4.4 42.6 1.0 ND1 A:HIS23 4.4 45.0 1.0 CG A:HIS25 4.4 42.6 1.0 CE1 A:HIS206 4.4 47.0 1.0 CB A:ASP266 4.5 62.0 1.0 CG A:PRO69 4.7 55.6 1.0 CA A:ASP266 5.0 62.3 1.0 OH A:TYR99 5.0 59.1 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D 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 R230D with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:23.4 occ:0.95 NE2 B:HIS25 2.2 27.4 1.0 OQ1 B:KCX145 2.2 20.2 1.0 O B:OH403 2.3 34.1 1.0 NE2 B:HIS23 2.3 30.7 1.0 OD1 B:ASP266 2.3 13.6 1.0 CX B:KCX145 3.1 39.3 1.0 CD2 B:HIS23 3.1 27.3 1.0 CD2 B:HIS25 3.2 19.8 1.0 CE1 B:HIS25 3.2 24.6 1.0 CG B:ASP266 3.3 44.4 1.0 CE1 B:HIS23 3.3 27.2 1.0 OQ2 B:KCX145 3.3 30.4 1.0 ZN B:ZN402 3.4 30.1 0.9 OD2 B:ASP266 3.5 33.2 1.0 NZ B:KCX145 4.3 23.0 1.0 ND1 B:HIS25 4.3 23.8 1.0 NE2 B:HIS206 4.3 44.3 1.0 CG B:HIS23 4.3 31.8 1.0 CG B:HIS25 4.3 25.4 1.0 ND1 B:HIS23 4.4 35.5 1.0 CE1 B:HIS206 4.4 20.2 1.0 CB B:ASP266 4.6 16.6 1.0 CG B:PRO69 4.7 47.8 1.0 OH B:TYR99 4.9 53.6 1.0 CA B:ASP266 4.9 18.6 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