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Iron in PDB 3kuo: X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond

Protein crystallography data

The structure of X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond, PDB code: 3kuo was solved by V.S.Serrano, Z.Chen, J.F.Gaff, R.Rose, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.26
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.678, 66.505, 68.250, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 20.1

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond (pdb code 3kuo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond, PDB code: 3kuo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3kuo

Go back to Iron Binding Sites List in 3kuo
Iron binding site 1 out of 2 in the X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe139

b:13.2
occ:1.00
FE A:HEM139 0.0 13.2 1.0
ND A:HEM139 2.1 14.3 1.0
NC A:HEM139 2.1 13.0 1.0
NB A:HEM139 2.1 12.0 1.0
NA A:HEM139 2.1 13.9 1.0
NE2 A:HIS89 2.1 14.5 1.0
C A:CYN188 2.2 7.2 0.7
N A:CYN188 2.9 14.2 0.7
C1D A:HEM139 3.1 16.7 1.0
C4D A:HEM139 3.1 16.8 1.0
CE1 A:HIS89 3.1 14.8 1.0
C4C A:HEM139 3.1 13.9 1.0
C1A A:HEM139 3.1 15.0 1.0
C1C A:HEM139 3.1 12.7 1.0
C4B A:HEM139 3.1 11.4 1.0
C1B A:HEM139 3.1 12.5 1.0
C4A A:HEM139 3.1 14.3 1.0
CD2 A:HIS89 3.1 15.8 1.0
C A:CYN188 3.2 8.3 0.3
CHD A:HEM139 3.4 15.9 1.0
CHA A:HEM139 3.4 15.9 1.0
CHC A:HEM139 3.4 12.2 1.0
CHB A:HEM139 3.5 13.0 1.0
ND1 A:HIS89 4.2 15.4 1.0
CG A:HIS89 4.3 16.3 1.0
C2D A:HEM139 4.3 18.5 1.0
C3D A:HEM139 4.3 18.4 1.0
C3C A:HEM139 4.3 14.3 1.0
C2C A:HEM139 4.3 12.2 1.0
C2A A:HEM139 4.3 15.7 1.0
C3B A:HEM139 4.3 10.8 1.0
C2B A:HEM139 4.3 11.6 1.0
C3A A:HEM139 4.3 14.9 1.0
N A:CYN188 4.3 5.7 0.3
CG2 A:VAL59 4.5 11.3 1.0
CE1 A:HIS55 4.8 10.8 0.4
CE A:MET86 4.8 22.6 1.0
CE1 A:HIS55 4.9 12.9 0.6

Iron binding site 2 out of 2 in 3kuo

Go back to Iron Binding Sites List in 3kuo
Iron binding site 2 out of 2 in the X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Lysis of Iron-Cyanide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe139

b:10.6
occ:1.00
FE B:HEM139 0.0 10.6 1.0
NA B:HEM139 2.0 10.3 1.0
NB B:HEM139 2.1 10.3 1.0
C B:CYN189 2.1 5.2 0.7
NC B:HEM139 2.1 10.1 1.0
ND B:HEM139 2.1 11.8 1.0
NE2 B:HIS89 2.1 9.8 1.0
N B:CYN189 2.9 14.1 0.7
C4A B:HEM139 3.0 9.9 1.0
C1B B:HEM139 3.1 10.3 1.0
C1D B:HEM139 3.1 12.9 1.0
C1C B:HEM139 3.1 11.5 1.0
C1A B:HEM139 3.1 12.7 1.0
C4B B:HEM139 3.1 10.7 1.0
C4C B:HEM139 3.1 11.9 1.0
C4D B:HEM139 3.1 12.9 1.0
CE1 B:HIS89 3.1 11.9 1.0
CD2 B:HIS89 3.1 11.3 1.0
C B:CYN189 3.2 11.8 0.3
CHB B:HEM139 3.4 10.1 1.0
CHC B:HEM139 3.4 10.9 1.0
CHD B:HEM139 3.4 12.5 1.0
CHA B:HEM139 3.4 12.1 1.0
ND1 B:HIS89 4.2 11.6 1.0
CG B:HIS89 4.3 12.9 1.0
C3A B:HEM139 4.3 11.0 1.0
C2B B:HEM139 4.3 9.4 1.0
C2A B:HEM139 4.3 14.0 1.0
C3B B:HEM139 4.3 10.1 1.0
N B:CYN189 4.3 6.6 0.3
C2C B:HEM139 4.3 12.0 1.0
C3C B:HEM139 4.3 12.1 1.0
C2D B:HEM139 4.3 13.8 1.0
C3D B:HEM139 4.3 14.4 1.0
CG2 B:VAL59 4.4 11.6 1.0
CE1 B:HIS55 4.5 13.5 0.6
CE1 B:HIS55 4.7 12.2 0.4
CE B:MET86 4.9 15.7 1.0
NE2 B:HIS55 5.0 13.7 0.6

Reference:

V.S.De Serrano, M.F.Davis, J.F.Gaff, Q.Zhang, Z.Chen, E.L.D'antonio, E.F.Bowden, R.Rose, S.Franzen. X-Ray Structure of the Metcyano Form of Dehaloperoxidase From Amphitrite Ornata: Evidence For Photoreductive Dissociation of the Iron-Cyanide Bond. Acta Crystallogr.,Sect.D V. 66 770 2010.
ISSN: ISSN 0907-4449
PubMed: 20606257
DOI: 10.1107/S0907444910014605
Page generated: Sun Aug 4 14:01:12 2024

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