Iron in PDB 3zj5: 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;

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

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 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 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 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 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

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