Iron in PDB 3zj4: Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic Form.

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

The structure of Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic Form., PDB code: 3zj4 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)	29.399 / 3.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	85.445, 88.207, 104.398, 82.08, 82.48, 62.33
R / Rfree (%)	19.69 / 24.55

The binding sites of Iron atom in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic Form. (pdb code 3zj4). 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, Triclinic Form., PDB code: 3zj4:
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, Triclinic 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, Triclinic Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe4000 b:25.9 occ:1.00 FE A:HEM4000 0.0 25.9 1.0 NA A:HEM4000 2.0 24.3 1.0 NC A:HEM4000 2.1 28.8 1.0 NB A:HEM4000 2.1 30.8 1.0 ND A:HEM4000 2.1 24.6 1.0 OH A:TYR389 2.4 16.5 1.0 C1B A:HEM4000 3.0 32.9 1.0 C4A A:HEM4000 3.1 29.4 1.0 C4B A:HEM4000 3.1 28.1 1.0 C4C A:HEM4000 3.1 33.7 1.0 C1C A:HEM4000 3.1 27.9 1.0 C1D A:HEM4000 3.1 24.0 1.0 C1A A:HEM4000 3.1 25.9 1.0 C4D A:HEM4000 3.1 27.5 1.0 CZ A:TYR389 3.3 16.7 1.0 CHC A:HEM4000 3.4 27.1 1.0 CHB A:HEM4000 3.4 33.1 1.0 CHD A:HEM4000 3.4 28.6 1.0 CHA A:HEM4000 3.4 30.2 1.0 CE1 A:TYR389 3.9 17.6 1.0 CE2 A:TYR389 4.1 14.7 1.0 C2B A:HEM4000 4.2 26.1 1.0 C3B A:HEM4000 4.3 30.9 1.0 C3A A:HEM4000 4.3 30.6 1.0 C2A A:HEM4000 4.3 27.0 1.0 C2C A:HEM4000 4.3 25.9 1.0 C3C A:HEM4000 4.3 32.4 1.0 C2D A:HEM4000 4.3 21.8 1.0 C3D A:HEM4000 4.3 24.9 1.0 CZ A:PHE188 4.4 16.8 1.0 CG2 A:VAL101 4.4 30.4 1.0 NE A:ARG385 4.5 30.6 1.0 NH2 A:ARG385 4.5 38.3 1.0 CD2 A:HIS102 4.6 27.7 1.0 NE2 A:HIS102 4.9 33.9 1.0 CE2 A:PHE188 4.9 20.1 1.0 CZ A:ARG385 4.9 41.3 1.0

Iron binding site 2 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic 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, Triclinic Form. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe4000 b:38.7 occ:1.00 FE B:HEM4000 0.0 38.7 1.0 NA B:HEM4000 2.0 28.1 1.0 NB B:HEM4000 2.1 36.6 1.0 NC B:HEM4000 2.1 37.4 1.0 ND B:HEM4000 2.1 28.9 1.0 OH B:TYR389 2.4 27.7 1.0 C1B B:HEM4000 3.0 51.6 1.0 C4A B:HEM4000 3.1 33.1 1.0 C4B B:HEM4000 3.1 37.7 1.0 C1A B:HEM4000 3.1 31.7 1.0 C4C B:HEM4000 3.1 37.7 1.0 C1C B:HEM4000 3.1 37.1 1.0 C1D B:HEM4000 3.1 30.5 1.0 C4D B:HEM4000 3.1 31.7 1.0 CZ B:TYR389 3.3 23.6 1.0 CHC B:HEM4000 3.4 38.6 1.0 CHB B:HEM4000 3.4 39.7 1.0 CHA B:HEM4000 3.4 35.7 1.0 CHD B:HEM4000 3.4 34.3 1.0 CE1 B:TYR389 3.9 23.8 1.0 CE2 B:TYR389 4.2 22.7 1.0 C2B B:HEM4000 4.2 32.3 1.0 CZ B:PHE188 4.2 25.7 1.0 C3B B:HEM4000 4.3 36.9 1.0 C3A B:HEM4000 4.3 44.4 1.0 C2A B:HEM4000 4.3 43.2 1.0 C2C B:HEM4000 4.3 35.2 1.0 C3C B:HEM4000 4.3 37.5 1.0 C2D B:HEM4000 4.3 30.1 1.0 C3D B:HEM4000 4.3 29.4 1.0 CG2 B:VAL101 4.4 15.6 1.0 NE B:ARG385 4.4 34.4 1.0 NH2 B:ARG385 4.5 38.2 1.0 CD2 B:HIS102 4.6 30.1 1.0 CE2 B:PHE188 4.7 28.9 1.0 NE2 B:HIS102 4.8 32.7 1.0 CZ B:ARG385 4.9 42.4 1.0 CE1 B:PHE188 4.9 30.4 1.0

Iron binding site 3 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic 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, Triclinic Form. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe4000 b:28.0 occ:1.00 FE C:HEM4000 0.0 28.0 1.0 NB C:HEM4000 2.1 29.9 1.0 NC C:HEM4000 2.1 24.5 1.0 NA C:HEM4000 2.1 25.6 1.0 ND C:HEM4000 2.1 22.3 1.0 OH C:TYR389 2.4 22.4 1.0 C4B C:HEM4000 3.0 29.2 1.0 C1C C:HEM4000 3.1 22.6 1.0 C1B C:HEM4000 3.1 35.5 1.0 C4A C:HEM4000 3.1 30.7 1.0 C4C C:HEM4000 3.1 21.9 1.0 C1D C:HEM4000 3.1 25.9 1.0 C1A C:HEM4000 3.1 25.1 1.0 C4D C:HEM4000 3.1 19.6 1.0 CZ C:TYR389 3.3 20.8 1.0 CHC C:HEM4000 3.4 26.4 1.0 CHA C:HEM4000 3.4 19.0 1.0 CHD C:HEM4000 3.4 19.8 1.0 CHB C:HEM4000 3.4 37.0 1.0 CE1 C:TYR389 3.9 21.6 1.0 CE2 C:TYR389 4.1 17.8 1.0 C3B C:HEM4000 4.3 37.4 1.0 C2B C:HEM4000 4.3 28.9 1.0 CZ C:PHE188 4.3 17.3 1.0 C2C C:HEM4000 4.3 24.4 1.0 C3A C:HEM4000 4.3 24.4 1.0 C3C C:HEM4000 4.3 23.2 1.0 C2A C:HEM4000 4.3 24.0 1.0 C2D C:HEM4000 4.3 34.0 1.0 C3D C:HEM4000 4.3 20.9 1.0 NH2 C:ARG385 4.4 35.1 1.0 NE C:ARG385 4.4 37.2 1.0 CG2 C:VAL101 4.5 16.7 1.0 CD2 C:HIS102 4.5 23.1 1.0 NE2 C:HIS102 4.7 27.0 1.0 CE2 C:PHE188 4.8 19.4 1.0 CZ C:ARG385 4.8 40.0 1.0 CE1 C:PHE188 4.9 21.1 1.0

Iron binding site 4 out of 4 in the Neurospora Crassa Catalase-3 Expressed in E. Coli, Triclinic 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, Triclinic Form. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe4000 b:28.6 occ:1.00 FE D:HEM4000 0.0 28.6 1.0 NC D:HEM4000 2.0 23.8 1.0 NA D:HEM4000 2.1 22.0 1.0 NB D:HEM4000 2.1 26.4 1.0 ND D:HEM4000 2.1 24.1 1.0 OH D:TYR389 2.4 12.4 1.0 C1C D:HEM4000 3.1 21.2 1.0 C4B D:HEM4000 3.1 29.6 1.0 C1A D:HEM4000 3.1 23.7 1.0 C4C D:HEM4000 3.1 27.0 1.0 C4D D:HEM4000 3.1 26.4 1.0 C1D D:HEM4000 3.1 20.4 1.0 C1B D:HEM4000 3.1 41.6 1.0 C4A D:HEM4000 3.1 28.7 1.0 CZ D:TYR389 3.3 10.9 1.0 CHC D:HEM4000 3.4 25.3 1.0 CHA D:HEM4000 3.4 29.3 1.0 CHD D:HEM4000 3.4 26.6 1.0 CHB D:HEM4000 3.5 30.6 1.0 CE1 D:TYR389 3.9 10.3 1.0 CZ D:PHE188 4.2 29.6 1.0 CE2 D:TYR389 4.2 10.4 1.0 C3B D:HEM4000 4.3 31.8 1.0 C2C D:HEM4000 4.3 28.9 1.0 C2B D:HEM4000 4.3 32.6 1.0 C2A D:HEM4000 4.3 23.5 1.0 C3C D:HEM4000 4.3 20.4 1.0 C3A D:HEM4000 4.3 21.7 1.0 C2D D:HEM4000 4.3 28.2 1.0 C3D D:HEM4000 4.3 26.8 1.0 CG2 D:VAL101 4.3 11.7 1.0 NH2 D:ARG385 4.4 35.8 1.0 NE D:ARG385 4.4 26.8 1.0 CD2 D:HIS102 4.6 27.5 1.0 CE2 D:PHE188 4.7 22.0 1.0 CE1 D:PHE188 4.7 23.0 1.0 NE2 D:HIS102 4.8 31.9 1.0 CZ D:ARG385 4.8 37.4 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