Manganese in PDB 4h9t: Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone, PDB code: 4h9t 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)	19.94 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.231, 91.419, 95.686, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Manganese atom in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone (pdb code 4h9t). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone, PDB code: 4h9t:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:34.1 occ:0.61 OQ2 A:KCX145 2.4 53.1 1.0 NE2 A:HIS206 2.5 29.5 1.0 ND1 A:HIS178 2.7 43.4 1.0 O A:HOH641 3.0 36.0 1.0 CX A:KCX145 3.1 50.0 1.0 CE1 A:HIS206 3.3 31.1 1.0 OQ1 A:KCX145 3.3 19.9 1.0 FE A:FE401 3.5 20.6 0.9 O A:HOH670 3.6 34.0 1.0 CE1 A:HIS178 3.6 45.4 1.0 CG A:HIS178 3.6 28.3 1.0 CD2 A:HIS206 3.6 32.8 1.0 CB A:HIS178 3.8 21.3 1.0 NZ A:KCX145 4.2 42.8 1.0 CE1 A:HIS23 4.4 15.2 1.0 ND1 A:HIS206 4.5 31.6 1.0 NE2 A:HIS23 4.5 19.8 1.0 CE A:KCX145 4.6 22.9 1.0 ND2 A:ASN266 4.6 34.7 1.0 CG A:HIS206 4.7 27.8 1.0 NE2 A:HIS178 4.8 44.3 1.0 CD2 A:HIS178 4.8 37.8 1.0 CA A:HIS178 4.9 21.8 1.0 OD1 A:ASN266 4.9 20.3 1.0

Manganese binding site 2 out of 2 in the Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101N with Bound N-Butyryl-Dl-Homoserine Lactone within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:40.0 occ:0.67 OQ2 B:KCX145 2.4 43.2 1.0 NE2 B:HIS206 2.5 30.2 1.0 FE B:FE401 3.0 25.4 1.0 CE1 B:HIS206 3.1 30.6 1.0 ND1 B:HIS178 3.1 43.6 1.0 CX B:KCX145 3.3 42.9 1.0 OQ1 B:KCX145 3.4 25.1 1.0 OAP B:HL4403 3.4 62.2 0.9 CD2 B:HIS206 3.7 36.2 1.0 CE1 B:HIS178 4.0 46.1 1.0 ND2 B:ASN266 4.0 35.7 1.0 C2 B:HL4403 4.0 66.5 0.9 O6 B:HL4403 4.0 74.2 0.9 CG B:HIS178 4.2 31.4 1.0 CE1 B:HIS23 4.3 17.1 1.0 NE2 B:HIS23 4.3 18.6 1.0 OD1 B:ASN266 4.3 22.8 1.0 ND1 B:HIS206 4.4 34.5 1.0 CB B:HIS178 4.4 24.9 1.0 CG B:ASN266 4.5 23.8 1.0 NZ B:KCX145 4.5 46.5 1.0 O B:HOH577 4.5 43.5 1.0 C4 B:HL4403 4.6 57.1 0.9 CG B:HIS206 4.7 30.1 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