Iron in PDB 4h9x: Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone, PDB code: 4h9x 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)	19.85 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.552, 129.156, 51.637, 90.00, 95.84, 90.00
R / Rfree (%)	17.6 / 21.5

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone 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/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone (pdb code 4h9x). 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/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone, PDB code: 4h9x:
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/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone


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/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:23.9 occ:1.00 NE2 A:HIS25 2.2 12.1 1.0 NE2 A:HIS23 2.3 28.4 1.0 O A:OH403 2.3 24.4 1.0 OD1 A:ASN266 2.4 35.0 1.0 OQ1 A:KCX145 2.5 34.7 1.0 CE1 A:HIS25 3.1 16.6 1.0 CG A:ASN266 3.1 37.0 1.0 CD2 A:HIS23 3.2 22.4 1.0 CD2 A:HIS25 3.3 26.5 1.0 CX A:KCX145 3.3 53.0 1.0 CE1 A:HIS23 3.3 20.6 1.0 ND2 A:ASN266 3.3 39.1 1.0 C4 A:HL4404 3.4 57.5 0.8 OQ2 A:KCX145 3.4 49.4 1.0 ZN A:ZN402 3.6 36.5 0.7 OAP A:HL4404 3.6 45.5 0.8 C5 A:HL4404 4.2 49.9 0.8 ND1 A:HIS25 4.2 18.5 1.0 CG A:HIS25 4.3 22.5 1.0 CG A:HIS23 4.4 33.0 1.0 ND1 A:HIS23 4.4 32.3 1.0 NZ A:KCX145 4.4 38.5 1.0 CE1 A:HIS206 4.5 40.9 1.0 CB A:ASN266 4.5 26.7 1.0 NE2 A:HIS206 4.6 52.4 1.0 CG A:PRO69 4.6 17.9 1.0 C2 A:HL4404 4.8 58.3 0.8 CA A:ASN266 5.0 16.7 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone


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/D266N with ZN2+ and Bound N-Butyryl-Dl-Homoserine Lactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:23.7 occ:1.00 NE2 B:HIS25 2.2 11.8 1.0 NE2 B:HIS23 2.3 28.8 1.0 O B:OH403 2.4 25.2 1.0 OD1 B:ASN266 2.4 33.4 1.0 OQ1 B:KCX145 2.5 31.5 1.0 CE1 B:HIS25 3.1 18.5 1.0 CG B:ASN266 3.2 34.9 1.0 CD2 B:HIS23 3.2 24.2 1.0 CX B:KCX145 3.3 49.9 1.0 CD2 B:HIS25 3.3 26.1 1.0 CE1 B:HIS23 3.3 19.5 1.0 ND2 B:ASN266 3.3 41.3 1.0 OQ2 B:KCX145 3.4 47.5 1.0 ZN B:ZN402 3.5 36.1 0.7 C4 B:HL4404 3.6 55.9 0.8 OAP B:HL4404 3.8 44.2 0.8 ND1 B:HIS25 4.2 16.5 1.0 CG B:HIS25 4.4 20.0 1.0 CG B:HIS23 4.4 35.8 1.0 ND1 B:HIS23 4.4 32.8 1.0 NZ B:KCX145 4.4 42.1 1.0 CE1 B:HIS206 4.4 39.6 1.0 C5 B:HL4404 4.5 53.2 0.8 CB B:ASN266 4.5 27.2 1.0 NE2 B:HIS206 4.6 51.7 1.0 CG B:PRO69 4.6 19.6 1.0 C2 B:HL4404 4.9 63.1 0.8 CA B:ASN266 5.0 17.6 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