Iron in PDB 6jsu: Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant

The structure of Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant, PDB code: 6jsu was solved by B.Xue, W.S.Yew, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.600, 157.487, 50.618, 90.00, 117.06, 90.00
R / Rfree (%)	16 / 19

The structure of Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant (pdb code 6jsu). 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, Y99C/D266N Double Mutant, PDB code: 6jsu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant


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, Y99C/D266N Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:18.8 occ:1.00 NE2 A:HIS25 2.0 20.1 1.0 O A:OH403 2.1 23.0 1.0 NE2 A:HIS23 2.1 21.9 1.0 OQ2 A:KCX145 2.1 23.4 1.0 OD1 A:ASN266 2.3 21.7 1.0 CE1 A:HIS25 2.9 23.8 1.0 CD2 A:HIS23 3.0 15.0 1.0 CX A:KCX145 3.0 22.5 1.0 CD2 A:HIS25 3.1 21.1 1.0 CE1 A:HIS23 3.2 17.4 1.0 CG A:ASN266 3.2 25.6 1.0 OQ1 A:KCX145 3.3 21.3 1.0 ZN A:ZN402 3.4 22.4 0.8 ND2 A:ASN266 3.7 27.5 1.0 ND1 A:HIS25 4.0 23.3 1.0 O A:HOH654 4.1 43.4 1.0 CG A:HIS25 4.1 21.4 1.0 NZ A:KCX145 4.2 21.6 1.0 CG A:HIS23 4.2 17.1 1.0 ND1 A:HIS23 4.2 21.4 1.0 CE1 A:HIS206 4.3 22.9 1.0 NE2 A:HIS206 4.4 23.1 1.0 CB A:ASN266 4.5 22.7 1.0 CG A:PRO69 4.6 19.4 1.0

Iron binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Y99C/D266N Double Mutant


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, Y99C/D266N Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:18.4 occ:1.00 O B:OH403 2.0 22.3 1.0 NE2 B:HIS25 2.0 22.4 1.0 NE2 B:HIS23 2.0 21.1 1.0 OQ1 B:KCX145 2.1 23.6 1.0 OD1 B:ASN266 2.2 19.6 1.0 CE1 B:HIS25 2.9 23.2 1.0 CD2 B:HIS23 3.0 21.6 1.0 CX B:KCX145 3.0 27.1 1.0 CE1 B:HIS23 3.0 21.4 1.0 CD2 B:HIS25 3.1 21.4 1.0 CG B:ASN266 3.3 29.5 1.0 OQ2 B:KCX145 3.3 25.4 1.0 ZN B:ZN402 3.4 21.0 0.8 ND2 B:ASN266 3.7 27.2 1.0 ND1 B:HIS25 4.0 23.5 1.0 ND1 B:HIS23 4.1 21.1 1.0 CG B:HIS23 4.2 22.3 1.0 NZ B:KCX145 4.2 24.1 1.0 CG B:HIS25 4.2 19.5 1.0 CE1 B:HIS206 4.3 26.0 1.0 NE2 B:HIS206 4.4 25.4 1.0 CB B:ASN266 4.5 23.5 1.0 O B:HOH667 4.6 42.9 1.0 CG B:PRO69 4.6 23.6 1.0 O B:HOH710 4.9 48.1 1.0 CA B:ASN266 5.0 20.1 1.0

M.K.Go, L.N.Zhao, B.Xue, S.Supekar, R.C.Robinson, H.Fan, W.S.Yew. Directed Computational Evolution of Quorum-Quenching Lactonases From the Amidohydrolase Superfamily Structure 2020.
ISSN: ISSN 0969-2126