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

Protein crystallography data

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

Other elements in 4ha0:

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant R230D with ZN2+ also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iron Binding Sites:

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 4ha0

Go back to Iron Binding Sites List in 4ha0
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 4ha0

Go back to Iron Binding Sites List in 4ha0
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

Reference:

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
Page generated: Sun Dec 13 15:36:14 2020

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