Iron in PDB 4bim: Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization

All present enzymatic activity of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization:
1.11.1.6;

The structure of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization, PDB code: 4bim 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)	29.30 / 2.95
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	207.508, 207.508, 137.041, 90.00, 90.00, 90.00
R / Rfree (%)	25.53 / 30.44

The binding sites of Iron atom in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization (pdb code 4bim). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization, PDB code: 4bim:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe4000 b:33.4 occ:1.00 FE A:HEM4000 0.0 33.4 1.0 NA A:HEM4000 1.9 33.9 1.0 NB A:HEM4000 1.9 34.1 1.0 NC A:HEM4000 2.0 33.1 1.0 ND A:HEM4000 2.0 32.4 1.0 OH A:TYR389 2.1 15.1 1.0 C4B A:HEM4000 2.9 34.9 1.0 C4D A:HEM4000 3.0 32.6 1.0 C1B A:HEM4000 3.0 35.1 1.0 C1A A:HEM4000 3.0 33.6 1.0 C1C A:HEM4000 3.0 33.7 1.0 C4A A:HEM4000 3.0 34.5 1.0 C1D A:HEM4000 3.0 32.5 1.0 CZ A:TYR389 3.0 21.4 1.0 C4C A:HEM4000 3.0 32.8 1.0 CHA A:HEM4000 3.3 33.4 1.0 CHC A:HEM4000 3.4 35.1 1.0 CHB A:HEM4000 3.4 35.6 1.0 CHD A:HEM4000 3.4 32.9 1.0 CE1 A:TYR389 3.7 18.6 1.0 CE2 A:TYR389 3.9 17.9 1.0 C2A A:HEM4000 4.2 34.6 1.0 C3A A:HEM4000 4.2 35.3 1.0 C2B A:HEM4000 4.2 36.2 1.0 C2C A:HEM4000 4.2 34.2 1.0 C3D A:HEM4000 4.2 32.0 1.0 C3B A:HEM4000 4.2 36.3 1.0 C3C A:HEM4000 4.2 33.6 1.0 C2D A:HEM4000 4.3 31.8 1.0 CG2 A:VAL101 4.3 34.5 1.0 CZ A:PHE188 4.3 24.6 1.0 NE A:ARG385 4.3 19.2 1.0 NH2 A:ARG385 4.5 24.7 1.0 CE1 A:PHE188 4.8 25.9 1.0 CD2 A:HIS102 4.8 32.6 1.0 CZ A:ARG385 4.8 30.2 1.0 NE2 A:HIS102 4.9 33.5 1.0 CD1 A:TYR389 4.9 17.9 1.0 CE2 A:PHE188 5.0 26.1 1.0

Iron binding site 2 out of 4 in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe4000 b:45.5 occ:1.00 FE B:HEM4000 0.0 45.5 1.0 NC B:HEM4000 1.9 45.5 1.0 NB B:HEM4000 1.9 46.5 1.0 NA B:HEM4000 2.0 45.8 1.0 ND B:HEM4000 2.0 44.3 1.0 OH B:TYR389 2.1 38.0 1.0 C4B B:HEM4000 2.9 47.5 1.0 C1C B:HEM4000 2.9 46.3 1.0 C1B B:HEM4000 3.0 47.7 1.0 C4D B:HEM4000 3.0 44.2 1.0 C1D B:HEM4000 3.0 44.3 1.0 C1A B:HEM4000 3.0 45.3 1.0 C4C B:HEM4000 3.0 45.3 1.0 C4A B:HEM4000 3.0 46.6 1.0 CZ B:TYR389 3.0 35.9 1.0 CHC B:HEM4000 3.3 47.6 1.0 CHA B:HEM4000 3.3 44.7 1.0 CHB B:HEM4000 3.4 48.0 1.0 CHD B:HEM4000 3.4 45.1 1.0 CE1 B:TYR389 3.7 32.1 1.0 CE2 B:TYR389 3.9 23.9 1.0 C2C B:HEM4000 4.2 47.1 1.0 C2A B:HEM4000 4.2 46.1 1.0 O B:HOH2009 4.2 33.5 1.0 C2B B:HEM4000 4.2 49.2 1.0 C3A B:HEM4000 4.2 47.1 1.0 C3B B:HEM4000 4.2 49.2 1.0 C3C B:HEM4000 4.2 46.2 1.0 C3D B:HEM4000 4.2 43.4 1.0 C2D B:HEM4000 4.3 43.5 1.0 CZ B:PHE188 4.3 34.2 1.0 CG2 B:VAL101 4.3 32.8 1.0 NE B:ARG385 4.3 46.1 1.0 NH2 B:ARG385 4.5 45.7 1.0 NE2 B:HIS102 4.6 39.8 1.0 CD2 B:HIS102 4.7 38.6 1.0 CE1 B:PHE188 4.7 37.4 1.0 CZ B:ARG385 4.8 57.1 1.0 CD1 B:TYR389 4.9 27.6 1.0 CE2 B:PHE188 5.0 35.0 1.0

Iron binding site 3 out of 4 in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe4000 b:61.3 occ:1.00 FE C:HEM4000 0.0 61.3 1.0 NA C:HEM4000 1.9 62.2 1.0 NB C:HEM4000 1.9 61.1 1.0 NC C:HEM4000 2.0 60.5 1.0 ND C:HEM4000 2.0 61.1 1.0 OH C:TYR389 2.1 83.1 1.0 C4B C:HEM4000 2.9 61.2 1.0 C4D C:HEM4000 2.9 61.8 1.0 C1B C:HEM4000 3.0 61.8 1.0 C1A C:HEM4000 3.0 62.6 1.0 C1C C:HEM4000 3.0 60.3 1.0 C4A C:HEM4000 3.0 62.5 1.0 C1D C:HEM4000 3.0 61.0 1.0 CZ C:TYR389 3.0 81.7 1.0 C4C C:HEM4000 3.0 60.5 1.0 CHA C:HEM4000 3.3 62.8 1.0 CHC C:HEM4000 3.3 61.2 1.0 CHB C:HEM4000 3.4 62.8 1.0 CHD C:HEM4000 3.4 61.0 1.0 CE1 C:TYR389 3.7 74.2 1.0 CE2 C:TYR389 3.9 75.1 1.0 C2A C:HEM4000 4.2 63.5 1.0 C3A C:HEM4000 4.2 63.5 1.0 C2B C:HEM4000 4.2 61.9 1.0 C2C C:HEM4000 4.2 60.4 1.0 C3D C:HEM4000 4.2 62.2 1.0 C3B C:HEM4000 4.2 61.5 1.0 CG2 C:VAL101 4.2 67.5 1.0 C2D C:HEM4000 4.3 61.6 1.0 C3C C:HEM4000 4.3 60.1 1.0 CZ C:PHE188 4.3 52.7 1.0 NE C:ARG385 4.3 61.9 1.0 NH2 C:ARG385 4.5 49.3 1.0 CD2 C:HIS102 4.8 65.0 1.0 CE1 C:PHE188 4.8 54.2 1.0 CZ C:ARG385 4.8 66.7 1.0 NE2 C:HIS102 4.9 64.7 1.0 CD1 C:TYR389 4.9 74.0 1.0

Iron binding site 4 out of 4 in the Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Catalase 3 From Neurospora Crassa in Tetragonal Form Exposes A Modified Tetrameric Organization within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe4000 b:92.5 occ:1.00 FE D:HEM4000 0.0 92.5 1.0 NC D:HEM4000 1.9 92.8 1.0 NB D:HEM4000 1.9 92.5 1.0 NA D:HEM4000 2.0 92.2 1.0 ND D:HEM4000 2.0 92.8 1.0 OH D:TYR389 2.8 89.2 1.0 C4B D:HEM4000 2.9 93.2 1.0 C1C D:HEM4000 3.0 92.9 1.0 C1B D:HEM4000 3.0 92.9 1.0 C4A D:HEM4000 3.0 92.3 1.0 C4C D:HEM4000 3.0 93.2 1.0 C4D D:HEM4000 3.0 92.7 1.0 C1D D:HEM4000 3.0 93.3 1.0 C1A D:HEM4000 3.0 92.2 1.0 CHC D:HEM4000 3.3 93.7 1.0 CHB D:HEM4000 3.4 93.0 1.0 CHA D:HEM4000 3.4 92.6 1.0 CHD D:HEM4000 3.4 93.9 1.0 CZ D:TYR389 3.6 85.0 1.0 CE1 D:TYR389 4.0 75.9 1.0 CZ D:PHE188 4.0 86.2 1.0 C2C D:HEM4000 4.2 93.8 1.0 C3C D:HEM4000 4.2 93.7 1.0 C3B D:HEM4000 4.2 93.4 1.0 C3A D:HEM4000 4.2 92.7 1.0 C2B D:HEM4000 4.2 93.4 1.0 C2A D:HEM4000 4.2 92.4 1.0 C3D D:HEM4000 4.3 93.2 1.0 C2D D:HEM4000 4.3 93.6 1.0 CE2 D:TYR389 4.5 76.7 1.0 NE D:ARG385 4.5 0.5 1.0 CE1 D:PHE188 4.5 87.6 1.0 CE2 D:PHE188 4.7 88.2 1.0 CD2 D:HIS102 4.8 71.1 1.0 NE2 D:HIS102 4.8 71.5 1.0 CG2 D:VAL101 4.9 66.0 1.0 NH2 D:ARG385 4.9 93.7 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