Iron in PDB 9az2: Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens

The structure of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens, PDB code: 9az2 was solved by P.J.Stogios, T.Skarina, Z.Choolaei, A.Yakunin, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.52
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	78.334, 114.747, 143.717, 83.31, 77.44, 86.26
R / Rfree (%)	19.8 / 25.2

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens (pdb code 9az2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens, PDB code: 9az2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:47.4 occ:1.00 FE A:HEM501 0.0 47.4 1.0 NB A:HEM501 2.0 24.4 1.0 NC A:HEM501 2.0 23.2 1.0 NA A:HEM501 2.0 21.7 1.0 ND A:HEM501 2.1 22.3 1.0 NE2 A:HIS335 2.1 24.4 1.0 O2 A:OXY502 2.8 20.8 1.0 CD2 A:HIS335 3.0 22.4 1.0 C1B A:HEM501 3.1 23.4 1.0 C4A A:HEM501 3.1 19.1 1.0 C1C A:HEM501 3.1 21.2 1.0 C4C A:HEM501 3.1 22.7 1.0 C1D A:HEM501 3.1 19.4 1.0 C1A A:HEM501 3.1 19.8 1.0 C4B A:HEM501 3.1 22.0 1.0 C4D A:HEM501 3.1 19.1 1.0 CE1 A:HIS335 3.2 24.3 1.0 CHB A:HEM501 3.4 20.4 1.0 CHC A:HEM501 3.4 21.9 1.0 CHD A:HEM501 3.4 21.3 1.0 CHA A:HEM501 3.4 19.7 1.0 O1 A:OXY502 4.0 20.7 1.0 NH1 A:ARG353 4.1 18.4 1.0 CG A:HIS335 4.2 23.9 1.0 C2B A:HEM501 4.3 24.3 1.0 C3A A:HEM501 4.3 21.1 1.0 ND1 A:HIS335 4.3 25.1 1.0 C2A A:HEM501 4.3 17.6 1.0 C2D A:HEM501 4.3 21.2 1.0 C3B A:HEM501 4.3 23.6 1.0 C2C A:HEM501 4.3 18.7 1.0 C3C A:HEM501 4.3 19.8 1.0 C3D A:HEM501 4.3 17.8 1.0 CD A:ARG353 4.5 21.3 1.0 CZ A:ARG353 4.7 18.0 1.0 NE A:ARG353 4.9 18.0 1.0

Iron binding site 2 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:63.6 occ:1.00 FE B:HEM501 0.0 63.6 1.0 NC B:HEM501 2.0 25.2 1.0 NA B:HEM501 2.0 28.0 1.0 NB B:HEM501 2.0 32.3 1.0 ND B:HEM501 2.1 28.5 1.0 NE2 B:HIS335 2.2 34.0 1.0 O2 B:OXY502 2.8 30.5 1.0 C4C B:HEM501 3.0 29.5 1.0 C4A B:HEM501 3.0 30.8 1.0 C1B B:HEM501 3.1 30.6 1.0 C1C B:HEM501 3.1 28.6 1.0 C1D B:HEM501 3.1 26.9 1.0 C1A B:HEM501 3.1 29.5 1.0 C4B B:HEM501 3.1 24.9 1.0 C4D B:HEM501 3.1 24.4 1.0 CD2 B:HIS335 3.1 26.9 1.0 CE1 B:HIS335 3.2 28.9 1.0 CHB B:HEM501 3.4 28.6 1.0 CHD B:HEM501 3.4 25.3 1.0 CHC B:HEM501 3.4 28.2 1.0 CHA B:HEM501 3.5 26.3 1.0 O1 B:OXY502 3.9 27.9 1.0 NH1 B:ARG353 4.1 26.6 1.0 CG B:HIS335 4.3 30.9 1.0 ND1 B:HIS335 4.3 32.6 1.0 C3A B:HEM501 4.3 25.5 1.0 C3C B:HEM501 4.3 28.7 1.0 C2B B:HEM501 4.3 29.9 1.0 C2C B:HEM501 4.3 26.0 1.0 C2A B:HEM501 4.3 22.2 1.0 C2D B:HEM501 4.3 25.3 1.0 C3B B:HEM501 4.3 28.0 1.0 C3D B:HEM501 4.3 27.0 1.0 CD B:ARG353 4.6 27.3 1.0 CZ B:ARG353 4.8 26.6 1.0

Iron binding site 3 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:36.2 occ:1.00 FE C:HEM501 0.0 36.2 1.0 NC C:HEM501 2.0 21.5 1.0 NA C:HEM501 2.0 27.5 1.0 ND C:HEM501 2.0 24.2 1.0 NB C:HEM501 2.1 28.6 1.0 NE2 C:HIS335 2.2 34.7 1.0 O1 C:OXY502 2.9 30.3 1.0 C4C C:HEM501 3.0 24.9 1.0 CD2 C:HIS335 3.0 35.6 1.0 C1D C:HEM501 3.0 26.2 1.0 C4A C:HEM501 3.1 28.0 1.0 C1C C:HEM501 3.1 22.2 1.0 C1B C:HEM501 3.1 29.2 1.0 C1A C:HEM501 3.1 29.5 1.0 C4D C:HEM501 3.1 29.2 1.0 C4B C:HEM501 3.1 27.2 1.0 CE1 C:HIS335 3.3 35.4 1.0 CHD C:HEM501 3.4 27.9 1.0 CHB C:HEM501 3.4 26.5 1.0 CHC C:HEM501 3.5 24.9 1.0 CHA C:HEM501 3.5 30.5 1.0 NH1 C:ARG353 4.0 31.8 1.0 O2 C:OXY502 4.1 28.6 1.0 CG C:HIS335 4.2 36.8 1.0 C3C C:HEM501 4.3 25.7 1.0 C2C C:HEM501 4.3 25.9 1.0 C2D C:HEM501 4.3 29.2 1.0 C3A C:HEM501 4.3 30.6 1.0 C2B C:HEM501 4.3 29.0 1.0 C3D C:HEM501 4.3 31.2 1.0 C2A C:HEM501 4.3 27.8 1.0 C3B C:HEM501 4.3 27.0 1.0 ND1 C:HIS335 4.3 36.5 1.0 CZ C:ARG353 4.8 31.7 1.0 CD C:ARG353 4.9 30.8 1.0 OD1 C:ASP241 5.0 30.3 1.0

Iron binding site 4 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:57.1 occ:1.00 FE D:HEM501 0.0 57.1 1.0 NC D:HEM501 2.0 33.6 1.0 NA D:HEM501 2.0 32.0 1.0 NB D:HEM501 2.0 34.4 1.0 ND D:HEM501 2.1 31.8 1.0 NE2 D:HIS335 2.1 39.6 1.0 O1 D:OXY502 2.8 31.2 1.0 CD2 D:HIS335 3.0 37.8 1.0 C1B D:HEM501 3.0 33.5 1.0 C4A D:HEM501 3.0 28.6 1.0 C4C D:HEM501 3.1 34.2 1.0 C1D D:HEM501 3.1 28.6 1.0 C1C D:HEM501 3.1 32.6 1.0 C4B D:HEM501 3.1 32.5 1.0 C1A D:HEM501 3.1 29.4 1.0 C4D D:HEM501 3.1 29.2 1.0 CE1 D:HIS335 3.2 40.6 1.0 CHB D:HEM501 3.4 27.8 1.0 CHD D:HEM501 3.4 31.8 1.0 CHC D:HEM501 3.4 32.8 1.0 CHA D:HEM501 3.5 31.9 1.0 NH1 D:ARG353 3.8 28.9 1.0 O2 D:OXY502 3.9 28.4 1.0 CG D:HIS335 4.2 37.7 1.0 ND1 D:HIS335 4.3 39.4 1.0 C2B D:HEM501 4.3 32.9 1.0 C3A D:HEM501 4.3 32.4 1.0 C3C D:HEM501 4.3 31.5 1.0 C2D D:HEM501 4.3 28.8 1.0 C3B D:HEM501 4.3 32.0 1.0 C2C D:HEM501 4.3 31.8 1.0 C2A D:HEM501 4.3 28.8 1.0 C3D D:HEM501 4.3 27.4 1.0 CD D:ARG353 4.6 27.6 1.0 CZ D:ARG353 4.7 32.0 1.0

Iron binding site 5 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe501 b:35.1 occ:1.00 FE E:HEM501 0.0 35.1 1.0 ND E:HEM501 2.0 27.7 1.0 NB E:HEM501 2.0 27.6 1.0 NC E:HEM501 2.1 27.9 1.0 NA E:HEM501 2.1 31.6 1.0 NE2 E:HIS335 2.1 38.9 1.0 O1 E:OXY502 2.8 26.1 1.0 C1D E:HEM501 3.0 29.9 1.0 CD2 E:HIS335 3.0 38.9 1.0 C4C E:HEM501 3.1 28.1 1.0 C4B E:HEM501 3.1 28.6 1.0 C1B E:HEM501 3.1 28.4 1.0 C4A E:HEM501 3.1 31.4 1.0 C1A E:HEM501 3.1 33.3 1.0 C1C E:HEM501 3.1 27.3 1.0 C4D E:HEM501 3.1 29.6 1.0 CE1 E:HIS335 3.1 39.2 1.0 CHD E:HEM501 3.4 28.6 1.0 CHB E:HEM501 3.4 30.6 1.0 CHA E:HEM501 3.4 33.3 1.0 CHC E:HEM501 3.4 28.9 1.0 O2 E:OXY502 4.0 28.1 1.0 NH1 E:ARG353 4.1 28.7 1.0 CG E:HIS335 4.2 39.3 1.0 ND1 E:HIS335 4.2 39.4 1.0 C2D E:HEM501 4.3 29.5 1.0 C3A E:HEM501 4.3 35.4 1.0 C3B E:HEM501 4.3 29.3 1.0 C2B E:HEM501 4.3 28.8 1.0 C2A E:HEM501 4.3 32.0 1.0 C3C E:HEM501 4.3 30.1 1.0 C3D E:HEM501 4.3 30.8 1.0 C2C E:HEM501 4.3 27.0 1.0 CD E:ARG353 4.6 29.0 1.0 CZ E:ARG353 4.9 29.2 1.0 OD1 E:ASP241 5.0 29.6 1.0

Iron binding site 6 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe501 b:35.1 occ:1.00 FE F:HEM501 0.0 35.1 1.0 NA F:HEM501 2.0 27.5 1.0 NB F:HEM501 2.0 25.1 1.0 ND F:HEM501 2.0 26.9 1.0 NC F:HEM501 2.1 24.3 1.0 NE2 F:HIS335 2.1 30.8 1.0 O1 F:OXY502 2.8 26.1 1.0 CD2 F:HIS335 2.9 30.6 1.0 C4B F:HEM501 3.0 26.9 1.0 C4A F:HEM501 3.0 29.6 1.0 C1A F:HEM501 3.1 28.5 1.0 C1D F:HEM501 3.1 28.0 1.0 C1B F:HEM501 3.1 27.2 1.0 C4D F:HEM501 3.1 29.1 1.0 C4C F:HEM501 3.1 25.6 1.0 C1C F:HEM501 3.1 24.2 1.0 CE1 F:HIS335 3.2 31.8 1.0 CHB F:HEM501 3.4 27.6 1.0 CHA F:HEM501 3.4 30.0 1.0 CHC F:HEM501 3.4 26.1 1.0 CHD F:HEM501 3.4 27.7 1.0 O2 F:OXY502 3.9 29.5 1.0 CG F:HIS335 4.1 31.4 1.0 NH1 F:ARG353 4.2 32.3 1.0 ND1 F:HIS335 4.2 32.1 1.0 C3B F:HEM501 4.3 29.4 1.0 C3A F:HEM501 4.3 35.6 1.0 C2A F:HEM501 4.3 33.8 1.0 C2D F:HEM501 4.3 28.8 1.0 C2B F:HEM501 4.3 28.4 1.0 C3D F:HEM501 4.3 28.6 1.0 C2C F:HEM501 4.3 27.0 1.0 C3C F:HEM501 4.3 29.4 1.0 CD F:ARG353 4.6 28.2 1.0 CZ F:ARG353 4.9 30.1 1.0

Iron binding site 7 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe501 b:63.4 occ:1.00 FE G:HEM501 0.0 63.4 1.0 O2 G:OXY502 1.9 44.5 1.0 NA G:HEM501 2.1 38.6 1.0 NC G:HEM501 2.1 39.2 1.0 NB G:HEM501 2.1 37.1 1.0 ND G:HEM501 2.1 34.0 1.0 NE2 G:HIS335 2.7 39.8 1.0 C4A G:HEM501 3.1 33.5 1.0 O1 G:OXY502 3.1 34.3 1.0 C1B G:HEM501 3.1 33.7 1.0 C1A G:HEM501 3.1 34.1 1.0 C4B G:HEM501 3.1 33.4 1.0 C1D G:HEM501 3.1 33.0 1.0 C4C G:HEM501 3.1 36.4 1.0 C1C G:HEM501 3.1 36.2 1.0 C4D G:HEM501 3.1 33.7 1.0 CHB G:HEM501 3.4 30.0 1.0 CHD G:HEM501 3.5 32.9 1.0 CHA G:HEM501 3.5 30.9 1.0 CHC G:HEM501 3.5 32.7 1.0 CD2 G:HIS335 3.5 38.3 1.0 NH1 G:ARG353 3.6 33.7 1.0 CE1 G:HIS335 3.7 37.4 1.0 C3A G:HEM501 4.3 31.7 1.0 CZ G:ARG353 4.3 34.0 1.0 C2A G:HEM501 4.3 32.8 1.0 C2B G:HEM501 4.3 32.3 1.0 C3B G:HEM501 4.3 29.6 1.0 C2D G:HEM501 4.3 33.5 1.0 C3D G:HEM501 4.3 29.9 1.0 CD G:ARG353 4.3 36.9 1.0 C3C G:HEM501 4.3 35.5 1.0 C2C G:HEM501 4.3 35.6 1.0 NE G:ARG353 4.6 36.7 1.0 CG G:HIS335 4.7 39.4 1.0 OD1 G:ASP241 4.7 39.9 1.0 ND1 G:HIS335 4.7 42.1 1.0

Iron binding site 8 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe501 b:31.2 occ:1.00 FE H:HEM501 0.0 31.2 1.0 NC H:HEM501 2.0 26.5 1.0 NB H:HEM501 2.0 25.8 1.0 NA H:HEM501 2.1 27.4 1.0 ND H:HEM501 2.1 25.8 1.0 NE2 H:HIS335 2.2 30.6 1.0 O2 H:OXY502 2.8 27.7 1.0 CD2 H:HIS335 2.8 29.4 1.0 C4C H:HEM501 3.0 25.5 1.0 C1B H:HEM501 3.0 29.6 1.0 C4A H:HEM501 3.1 26.7 1.0 C1C H:HEM501 3.1 25.2 1.0 C1D H:HEM501 3.1 26.7 1.0 C4B H:HEM501 3.1 25.6 1.0 C4D H:HEM501 3.1 28.9 1.0 C1A H:HEM501 3.1 26.0 1.0 CE1 H:HIS335 3.4 31.2 1.0 CHB H:HEM501 3.4 31.0 1.0 CHD H:HEM501 3.4 28.3 1.0 CHC H:HEM501 3.4 25.9 1.0 CHA H:HEM501 3.5 26.9 1.0 NH1 H:ARG353 3.8 29.2 1.0 O1 H:OXY502 4.0 27.2 1.0 CG H:HIS335 4.1 29.1 1.0 C3C H:HEM501 4.3 25.4 1.0 C2C H:HEM501 4.3 28.3 1.0 C2B H:HEM501 4.3 28.7 1.0 C3A H:HEM501 4.3 27.1 1.0 C2D H:HEM501 4.3 30.0 1.0 ND1 H:HIS335 4.3 30.3 1.0 C3B H:HEM501 4.3 26.5 1.0 C2A H:HEM501 4.3 24.7 1.0 C3D H:HEM501 4.3 33.2 1.0 CD H:ARG353 4.6 28.1 1.0 CZ H:ARG353 4.7 29.7 1.0 NE H:ARG353 5.0 29.1 1.0

Iron binding site 9 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe501 b:53.8 occ:1.00 FE I:HEM501 0.0 53.8 1.0 ND I:HEM501 2.0 39.6 1.0 NB I:HEM501 2.0 38.6 1.0 NA I:HEM501 2.1 39.4 1.0 NC I:HEM501 2.1 39.3 1.0 NE2 I:HIS335 2.1 39.1 1.0 O2 I:OXY502 2.8 38.7 1.0 C4B I:HEM501 3.0 38.3 1.0 C1D I:HEM501 3.1 38.6 1.0 C4D I:HEM501 3.1 38.1 1.0 C1C I:HEM501 3.1 36.5 1.0 C1A I:HEM501 3.1 39.1 1.0 C1B I:HEM501 3.1 36.3 1.0 C4A I:HEM501 3.1 38.5 1.0 C4C I:HEM501 3.1 36.9 1.0 CE1 I:HIS335 3.1 38.8 1.0 CD2 I:HIS335 3.1 34.4 1.0 CHC I:HEM501 3.4 34.1 1.0 CHA I:HEM501 3.4 39.7 1.0 CHD I:HEM501 3.4 36.0 1.0 CHB I:HEM501 3.5 38.0 1.0 O1 I:OXY502 3.9 39.4 1.0 ND1 I:HIS335 4.2 37.1 1.0 CG I:HIS335 4.3 34.2 1.0 C2D I:HEM501 4.3 35.5 1.0 C3B I:HEM501 4.3 36.8 1.0 C3D I:HEM501 4.3 34.5 1.0 C2B I:HEM501 4.3 37.9 1.0 C2C I:HEM501 4.3 36.8 1.0 C2A I:HEM501 4.3 35.0 1.0 C3A I:HEM501 4.3 34.5 1.0 CD I:ARG353 4.3 34.3 1.0 C3C I:HEM501 4.3 38.2 1.0 NH1 I:ARG353 4.8 39.3 1.0 NE I:ARG353 4.8 38.5 1.0 OD1 I:ASP241 5.0 40.9 1.0

Iron binding site 10 out of 12 in the Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of PF3257 Peroxidase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe501 b:42.7 occ:1.00 FE J:HEM501 0.0 42.7 1.0 NC J:HEM501 2.0 30.0 1.0 NB J:HEM501 2.0 28.7 1.0 NA J:HEM501 2.0 29.2 1.0 ND J:HEM501 2.1 29.8 1.0 NE2 J:HIS335 2.2 28.1 1.0 O2 J:OXY502 2.8 29.5 1.0 C4C J:HEM501 3.0 27.4 1.0 C4A J:HEM501 3.1 27.5 1.0 C1B J:HEM501 3.1 26.1 1.0 C1D J:HEM501 3.1 27.8 1.0 C1C J:HEM501 3.1 29.0 1.0 C4B J:HEM501 3.1 28.6 1.0 C1A J:HEM501 3.1 26.7 1.0 C4D J:HEM501 3.1 30.5 1.0 CD2 J:HIS335 3.1 28.9 1.0 CE1 J:HIS335 3.2 30.1 1.0 CHD J:HEM501 3.4 29.9 1.0 CHB J:HEM501 3.4 23.5 1.0 CHC J:HEM501 3.4 27.8 1.0 CHA J:HEM501 3.5 31.0 1.0 O1 J:OXY502 3.8 25.2 1.0 NH1 J:ARG353 3.8 30.6 1.0 C3C J:HEM501 4.3 30.3 1.0 C3A J:HEM501 4.3 28.7 1.0 C2C J:HEM501 4.3 29.6 1.0 C2B J:HEM501 4.3 25.2 1.0 C2D J:HEM501 4.3 28.2 1.0 C2A J:HEM501 4.3 24.6 1.0 C3B J:HEM501 4.3 26.1 1.0 CG J:HIS335 4.3 28.7 1.0 ND1 J:HIS335 4.3 29.5 1.0 C3D J:HEM501 4.3 28.6 1.0 CD J:ARG353 4.8 28.7 1.0 CZ J:ARG353 4.8 29.2 1.0

P.J.Stogios, P.J.Stogios, T.Skarina, Z.Choolaei, A.Yakunin, A.Savchenko. N/A N/A.