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Iron in PDB 3zj5: Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.

Enzymatic activity of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.

All present enzymatic activity of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.:
1.11.1.6;

Protein crystallography data

The structure of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form., PDB code: 3zj5 was solved by A.Zarate-Romero, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.525 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 131.520, 154.800, 160.740, 90.00, 90.00, 90.00
R / Rfree (%) 15.68 / 19.71

Iron Binding Sites:

The binding sites of Iron atom in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form. (pdb code 3zj5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form., PDB code: 3zj5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3zj5

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Iron binding site 1 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe4000

b:4.6
occ:1.00
FE A:HEM4000 0.0 4.6 1.0
NA A:HEM4000 2.0 3.5 1.0
NC A:HEM4000 2.0 4.9 1.0
NB A:HEM4000 2.1 2.7 1.0
ND A:HEM4000 2.1 4.6 1.0
OH A:TYR389 2.1 5.1 1.0
CZ A:TYR389 3.0 5.0 1.0
C1A A:HEM4000 3.0 5.0 1.0
C4B A:HEM4000 3.1 5.0 1.0
C4C A:HEM4000 3.1 5.7 1.0
C4A A:HEM4000 3.1 7.7 1.0
C1C A:HEM4000 3.1 5.9 1.0
C1B A:HEM4000 3.1 4.1 1.0
C4D A:HEM4000 3.1 6.4 1.0
C1D A:HEM4000 3.1 4.7 1.0
CHA A:HEM4000 3.4 3.0 1.0
CHC A:HEM4000 3.4 7.6 1.0
CHD A:HEM4000 3.4 7.4 1.0
CHB A:HEM4000 3.4 2.1 1.0
CE1 A:TYR389 3.7 3.7 1.0
CE2 A:TYR389 3.8 3.6 1.0
NE A:ARG385 4.2 4.8 1.0
NH2 A:ARG385 4.2 2.7 1.0
C2B A:HEM4000 4.3 6.8 1.0
C3B A:HEM4000 4.3 6.6 1.0
C2A A:HEM4000 4.3 4.2 1.0
C3A A:HEM4000 4.3 5.9 1.0
C3C A:HEM4000 4.3 3.1 1.0
C2C A:HEM4000 4.3 4.8 1.0
C2D A:HEM4000 4.3 3.5 1.0
C3D A:HEM4000 4.3 5.2 1.0
O A:HOH2109 4.5 18.2 1.0
CZ A:PHE188 4.5 5.8 1.0
CG2 A:VAL101 4.6 6.1 1.0
CZ A:ARG385 4.6 7.4 1.0
NE2 A:HIS102 4.7 3.2 1.0
CD2 A:HIS102 4.7 2.8 1.0
CD1 A:TYR389 5.0 7.7 1.0

Iron binding site 2 out of 4 in 3zj5

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Iron binding site 2 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe4000

b:4.5
occ:1.00
FE B:HEM4000 0.0 4.5 1.0
NA B:HEM4000 2.0 3.2 1.0
NB B:HEM4000 2.0 2.2 1.0
NC B:HEM4000 2.1 4.5 1.0
ND B:HEM4000 2.1 1.0 1.0
OH B:TYR389 2.1 3.8 1.0
C4A B:HEM4000 3.0 8.3 1.0
C1B B:HEM4000 3.0 5.4 1.0
C1A B:HEM4000 3.0 4.1 1.0
O B:HOH2106 3.0 37.7 1.0
C4B B:HEM4000 3.1 5.5 1.0
C4D B:HEM4000 3.1 3.5 1.0
CZ B:TYR389 3.1 3.0 1.0
C4C B:HEM4000 3.1 2.6 1.0
C1C B:HEM4000 3.1 7.3 1.0
C1D B:HEM4000 3.1 1.0 1.0
CHB B:HEM4000 3.4 7.0 1.0
CHA B:HEM4000 3.4 1.9 1.0
CHC B:HEM4000 3.5 6.1 1.0
CHD B:HEM4000 3.5 2.0 1.0
CE1 B:TYR389 3.8 3.9 1.0
CE2 B:TYR389 3.9 6.1 1.0
NE B:ARG385 4.2 0.9 1.0
C3A B:HEM4000 4.2 3.5 1.0
C2A B:HEM4000 4.2 2.5 1.0
C2B B:HEM4000 4.2 6.5 1.0
NH2 B:ARG385 4.3 2.6 1.0
C3B B:HEM4000 4.3 6.4 1.0
C3C B:HEM4000 4.3 1.6 1.0
C2C B:HEM4000 4.3 2.6 1.0
C3D B:HEM4000 4.3 0.4 1.0
C2D B:HEM4000 4.4 3.2 1.0
NE2 B:HIS102 4.5 1.8 1.0
CG2 B:VAL101 4.5 1.3 1.0
CZ B:PHE188 4.5 4.4 1.0
CZ B:ARG385 4.6 3.9 1.0
CD2 B:HIS102 4.7 3.6 1.0
O B:HOH2105 4.7 19.4 1.0

Iron binding site 3 out of 4 in 3zj5

Go back to Iron Binding Sites List in 3zj5
Iron binding site 3 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe4000

b:3.5
occ:1.00
FE C:HEM4000 0.0 3.5 1.0
NA C:HEM4000 2.0 3.5 1.0
NC C:HEM4000 2.0 3.8 1.0
NB C:HEM4000 2.1 2.4 1.0
OH C:TYR389 2.1 3.8 1.0
ND C:HEM4000 2.1 1.5 1.0
C4C C:HEM4000 3.0 3.4 1.0
C4A C:HEM4000 3.0 2.3 1.0
C1B C:HEM4000 3.1 1.5 1.0
C1A C:HEM4000 3.1 1.5 1.0
C4B C:HEM4000 3.1 5.5 1.0
CZ C:TYR389 3.1 1.2 1.0
C1C C:HEM4000 3.1 4.3 1.0
C1D C:HEM4000 3.1 4.9 1.0
C4D C:HEM4000 3.1 1.3 1.0
CHB C:HEM4000 3.4 0.6 1.0
CHD C:HEM4000 3.4 2.8 1.0
CHC C:HEM4000 3.4 3.4 1.0
CHA C:HEM4000 3.5 1.5 1.0
CE1 C:TYR389 3.8 0.7 1.0
CE2 C:TYR389 3.8 1.2 1.0
NH2 C:ARG385 4.1 4.3 1.0
NE C:ARG385 4.2 3.8 1.0
C3C C:HEM4000 4.3 3.6 1.0
C3B C:HEM4000 4.3 3.9 1.0
C2B C:HEM4000 4.3 8.4 1.0
C3A C:HEM4000 4.3 3.5 1.0
C2A C:HEM4000 4.3 1.6 1.0
C2C C:HEM4000 4.3 4.8 1.0
C2D C:HEM4000 4.3 0.2 1.0
C3D C:HEM4000 4.4 1.1 1.0
O C:HOH2052 4.4 13.2 1.0
CZ C:PHE188 4.5 1.3 1.0
CG2 C:VAL101 4.6 0.5 1.0
CZ C:ARG385 4.6 4.3 1.0
NE2 C:HIS102 4.7 0.8 1.0
CD2 C:HIS102 4.7 1.9 1.0

Iron binding site 4 out of 4 in 3zj5

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Iron binding site 4 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Neurospora Crassa Catalase-3 Expressed in E. Coli, Orthorhombic Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe4000

b:2.6
occ:1.00
FE D:HEM4000 0.0 2.6 1.0
NA D:HEM4000 2.0 0.8 1.0
NC D:HEM4000 2.0 0.7 1.0
NB D:HEM4000 2.0 3.4 1.0
OH D:TYR389 2.1 1.4 1.0
ND D:HEM4000 2.1 1.0 1.0
C4B D:HEM4000 3.0 5.4 1.0
C1B D:HEM4000 3.0 5.7 1.0
C4A D:HEM4000 3.0 3.9 1.0
C4C D:HEM4000 3.1 1.2 1.0
C1C D:HEM4000 3.1 5.3 1.0
CZ D:TYR389 3.1 2.4 1.0
C1A D:HEM4000 3.1 2.0 1.0
C1D D:HEM4000 3.1 1.2 1.0
C4D D:HEM4000 3.1 0.9 1.0
CHB D:HEM4000 3.4 3.1 1.0
CHC D:HEM4000 3.4 5.8 1.0
CHD D:HEM4000 3.5 2.2 1.0
CHA D:HEM4000 3.5 1.9 1.0
CE1 D:TYR389 3.8 1.7 1.0
CE2 D:TYR389 3.9 3.2 1.0
NE D:ARG385 4.1 0.3 1.0
NH2 D:ARG385 4.2 0.7 1.0
C2B D:HEM4000 4.2 3.9 1.0
C3B D:HEM4000 4.2 8.5 1.0
C3A D:HEM4000 4.3 2.3 1.0
C3C D:HEM4000 4.3 0.5 1.0
C2A D:HEM4000 4.3 2.2 1.0
C2C D:HEM4000 4.3 8.9 1.0
C3D D:HEM4000 4.4 2.7 1.0
C2D D:HEM4000 4.4 2.2 1.0
O D:HOH2046 4.5 10.6 1.0
CG2 D:VAL101 4.6 0.9 1.0
CZ D:ARG385 4.6 1.1 1.0
CZ D:PHE188 4.6 6.2 1.0
NE2 D:HIS102 4.7 4.0 1.0
CD2 D:HIS102 4.8 2.7 1.0

Reference:

A.Zarate-Romero, V.Stojanoff, S.P.Rojas-Trejo, W.Hansberg, E.Rudino-Pinera. Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3 Acta Crystallogr.,Sect.F V. 69 753 2013.
ISSN: ISSN 1744-3091
PubMed: 23832201
DOI: 10.1107/S1744309113013468
Page generated: Tue Aug 5 08:46:25 2025

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