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

Protein crystallography data

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

Other elements in 4h9v:

The structure of Structure of Geobacillus Kaustophilus Lactonase, Mutant E101G/R230C 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 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 4h9v

Go back to Iron Binding Sites List in 4h9v
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 4h9v

Go back to Iron Binding Sites List in 4h9v
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

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: Mon Aug 5 03:17:15 2024

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