Iron in PDB 4h9v: Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C with ZN2+

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C with ZN2+, PDB code: 4h9v 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)	19.97 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.280, 130.208, 51.290, 90.00, 96.33, 90.00
R / Rfree (%)	18.2 / 22.2

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C 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 E101G/R230C with ZN2+ (pdb code 4h9v). 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 E101G/R230C with ZN2+, PDB code: 4h9v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C 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 E101G/R230C with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:9.8 occ:0.96 O A:OH403 2.2 23.2 1.0 NE2 A:HIS25 2.2 15.8 1.0 NE2 A:HIS23 2.2 15.5 1.0 OD1 A:ASP266 2.4 15.6 1.0 OQ1 A:KCX145 2.5 22.5 1.0 CD2 A:HIS25 3.1 13.2 1.0 CE1 A:HIS23 3.2 14.0 1.0 CG A:ASP266 3.2 22.3 1.0 CE1 A:HIS25 3.2 10.0 1.0 CD2 A:HIS23 3.2 18.1 1.0 ZN A:ZN402 3.4 18.5 0.6 OD2 A:ASP266 3.4 28.8 1.0 CX A:KCX145 3.4 39.6 1.0 OQ2 A:KCX145 3.7 19.8 1.0 ND1 A:HIS23 4.3 20.2 1.0 CG A:HIS25 4.3 10.0 1.0 O A:HOH590 4.3 32.6 1.0 ND1 A:HIS25 4.3 10.1 1.0 CG A:HIS23 4.4 13.6 1.0 CB A:ASP266 4.5 12.9 1.0 NZ A:KCX145 4.5 21.1 1.0 CE1 A:HIS206 4.6 24.9 1.0 CG A:PRO69 4.6 15.1 1.0 NE2 A:HIS206 4.7 48.4 1.0 CA A:ASP266 4.9 13.4 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C 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 E101G/R230C with ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:13.1 occ:1.00 NE2 B:HIS23 2.2 22.3 1.0 O B:OH403 2.2 27.5 1.0 NE2 B:HIS25 2.2 12.7 1.0 OD1 B:ASP266 2.4 16.0 1.0 OQ1 B:KCX145 2.5 18.7 1.0 CD2 B:HIS25 3.1 14.3 1.0 CE1 B:HIS23 3.1 15.2 1.0 CG B:ASP266 3.2 20.4 1.0 CD2 B:HIS23 3.2 21.5 1.0 CE1 B:HIS25 3.3 11.5 1.0 CX B:KCX145 3.4 34.1 1.0 OD2 B:ASP266 3.4 32.4 1.0 ZN B:ZN402 3.4 15.2 0.5 OQ2 B:KCX145 3.6 17.8 1.0 ND1 B:HIS23 4.3 19.2 1.0 CG B:HIS25 4.3 10.4 1.0 CG B:HIS23 4.3 13.1 1.0 ND1 B:HIS25 4.3 10.4 1.0 CB B:ASP266 4.5 13.8 1.0 NZ B:KCX145 4.5 16.3 1.0 CE1 B:HIS206 4.5 22.8 1.0 CG B:PRO69 4.6 17.5 1.0 NE2 B:HIS206 4.7 44.8 1.0 CA B:ASP266 4.9 13.5 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