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Iron in PDB 1ye9: Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli

Enzymatic activity of Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli

All present enzymatic activity of Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli, PDB code: 1ye9 was solved by P.C.Loewen, P.Chelikani, X.Carpena, I.Fita, R.Perez-Luque, L.J.Donald, J.Switala, H.W.Duckworth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.011, 152.888, 135.287, 90.00, 97.54, 90.00
R / Rfree (%) 21.7 / 26.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli (pdb code 1ye9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli, PDB code: 1ye9:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1ye9

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Iron binding site 1 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe760

b:24.1
occ:1.00
FE E:HDD760 0.0 24.1 1.0
ND E:HDD760 1.9 26.1 1.0
OH E:TYR415 1.9 23.9 1.0
NC E:HDD760 2.1 20.4 1.0
NB E:HDD760 2.1 24.7 1.0
NA E:HDD760 2.1 15.8 1.0
C1D E:HDD760 2.8 23.3 1.0
CHD E:HDD760 2.9 25.7 1.0
C4D E:HDD760 2.9 28.1 1.0
CHA E:HDD760 2.9 23.6 1.0
CZ E:TYR415 3.0 31.9 1.0
C4C E:HDD760 3.0 24.2 1.0
C1A E:HDD760 3.0 14.6 1.0
C4B E:HDD760 3.0 34.1 1.0
CHC E:HDD760 3.1 29.9 1.0
C1C E:HDD760 3.1 28.0 1.0
C1B E:HDD760 3.1 23.6 1.0
C4A E:HDD760 3.1 21.0 1.0
CHB E:HDD760 3.5 23.1 1.0
CE1 E:TYR415 3.6 31.5 1.0
CE2 E:TYR415 3.9 35.6 1.0
NE E:ARG411 4.1 31.3 1.0
C2D E:HDD760 4.1 21.8 1.0
C3C E:HDD760 4.2 24.4 1.0
C3D E:HDD760 4.3 25.2 1.0
C3B E:HDD760 4.3 38.3 1.0
NH2 E:ARG411 4.3 37.4 1.0
C2A E:HDD760 4.3 19.2 1.0
C2B E:HDD760 4.3 34.4 1.0
C2C E:HDD760 4.4 28.1 1.0
NE2 A:HIS128 4.4 38.1 1.0
C3A E:HDD760 4.4 10.8 1.0
CD2 A:HIS128 4.5 38.1 1.0
CG2 A:VAL127 4.6 33.6 1.0
CZ E:ARG411 4.7 33.7 1.0
O A:HOH320 4.7 37.9 1.0
CZ A:PHE214 4.8 39.8 1.0
O1D E:HDD760 4.9 29.7 1.0
CD1 E:TYR415 4.9 30.7 1.0
CMD E:HDD760 4.9 12.7 1.0
OND E:HDD760 5.0 20.7 1.0

Iron binding site 2 out of 8 in 1ye9

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Iron binding site 2 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe760

b:24.9
occ:1.00
FE F:HDD760 0.0 24.9 1.0
ND F:HDD760 1.9 20.7 1.0
NB F:HDD760 2.1 22.1 1.0
NC F:HDD760 2.1 22.5 1.0
NA F:HDD760 2.1 14.7 1.0
OH F:TYR415 2.2 22.4 1.0
C4D F:HDD760 2.9 30.7 1.0
C1D F:HDD760 2.9 22.9 1.0
CZ F:TYR415 3.0 30.5 1.0
CHA F:HDD760 3.0 25.1 1.0
C4B F:HDD760 3.0 31.5 1.0
CHC F:HDD760 3.0 31.5 1.0
CHD F:HDD760 3.0 23.4 1.0
C1A F:HDD760 3.1 26.6 1.0
C1B F:HDD760 3.1 27.4 1.0
C1C F:HDD760 3.1 30.3 1.0
C4C F:HDD760 3.1 27.4 1.0
C4A F:HDD760 3.1 12.3 1.0
CE1 F:TYR415 3.5 31.5 1.0
CHB F:HDD760 3.6 14.9 1.0
CE2 F:TYR415 3.9 34.9 1.0
NE F:ARG411 4.1 31.7 1.0
NH2 F:ARG411 4.2 36.0 1.0
C3B F:HDD760 4.2 31.0 1.0
C2B F:HDD760 4.3 27.3 1.0
C2D F:HDD760 4.3 27.0 1.0
C3D F:HDD760 4.3 32.7 1.0
C3C F:HDD760 4.3 19.6 1.0
C2C F:HDD760 4.3 20.2 1.0
C2A F:HDD760 4.4 18.0 1.0
C3A F:HDD760 4.4 14.7 1.0
CG2 B:VAL127 4.4 32.5 1.0
CD2 B:HIS128 4.5 38.4 1.0
NE2 B:HIS128 4.5 37.7 1.0
CZ B:PHE214 4.6 38.9 1.0
CZ F:ARG411 4.6 33.7 1.0
CD1 F:TYR415 4.7 30.5 1.0
CE1 B:PHE214 4.8 38.1 1.0

Iron binding site 3 out of 8 in 1ye9

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Iron binding site 3 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe760

b:32.2
occ:1.00
FE G:HDD760 0.0 32.2 1.0
ND G:HDD760 1.9 38.0 1.0
OH G:TYR415 2.0 22.5 1.0
NB G:HDD760 2.1 34.6 1.0
NC G:HDD760 2.1 35.3 1.0
NA G:HDD760 2.1 35.8 1.0
C4D G:HDD760 2.9 37.2 1.0
C1D G:HDD760 3.0 34.1 1.0
CHA G:HDD760 3.0 35.9 1.0
CZ G:TYR415 3.0 30.0 1.0
C4B G:HDD760 3.0 41.6 1.0
C1A G:HDD760 3.0 33.5 1.0
C4C G:HDD760 3.1 29.9 1.0
CHC G:HDD760 3.1 37.4 1.0
C1C G:HDD760 3.1 35.6 1.0
CHD G:HDD760 3.1 27.0 1.0
C1B G:HDD760 3.1 37.4 1.0
C4A G:HDD760 3.1 32.8 1.0
CHB G:HDD760 3.5 33.8 1.0
CE1 G:TYR415 3.6 31.0 1.0
NE G:ARG411 4.0 31.4 1.0
CE2 G:TYR415 4.0 35.6 1.0
C3C G:HDD760 4.2 30.2 1.0
C2D G:HDD760 4.3 37.1 1.0
C3B G:HDD760 4.3 43.5 1.0
C3D G:HDD760 4.3 40.0 1.0
C2B G:HDD760 4.3 42.7 1.0
C2C G:HDD760 4.3 32.7 1.0
C2A G:HDD760 4.3 29.9 1.0
C3A G:HDD760 4.4 32.6 1.0
CZ C:PHE214 4.4 40.4 1.0
NH2 G:ARG411 4.5 36.5 1.0
CZ G:ARG411 4.7 34.2 1.0
NE2 C:HIS128 4.7 37.6 1.0
CD2 C:HIS128 4.8 39.0 1.0
CG2 C:VAL127 4.8 32.4 1.0
CD G:ARG411 4.8 28.6 1.0
CG G:ARG411 4.8 30.8 1.0
OND G:HDD760 4.9 40.7 1.0
CE1 C:PHE214 4.9 39.0 1.0
CD1 G:TYR415 4.9 30.8 1.0

Iron binding site 4 out of 8 in 1ye9

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Iron binding site 4 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe760

b:35.9
occ:1.00
FE H:HDD760 0.0 35.9 1.0
OH H:TYR415 1.7 21.3 1.0
ND H:HDD760 1.9 38.4 1.0
NC H:HDD760 2.1 44.8 1.0
NB H:HDD760 2.1 45.3 1.0
NA H:HDD760 2.1 40.9 1.0
CZ H:TYR415 2.8 31.0 1.0
C4D H:HDD760 2.9 40.6 1.0
C1D H:HDD760 2.9 39.9 1.0
CHA H:HDD760 2.9 44.4 1.0
C1A H:HDD760 3.0 43.8 1.0
C1C H:HDD760 3.0 44.4 1.0
C4B H:HDD760 3.0 47.9 1.0
CHC H:HDD760 3.0 48.8 1.0
C4C H:HDD760 3.1 44.0 1.0
CHD H:HDD760 3.1 41.1 1.0
C1B H:HDD760 3.2 47.8 1.0
C4A H:HDD760 3.2 35.1 1.0
CE1 H:TYR415 3.4 31.8 1.0
CHB H:HDD760 3.6 38.7 1.0
CE2 H:TYR415 3.8 35.1 1.0
NE H:ARG411 4.1 32.2 1.0
NH2 H:ARG411 4.2 36.5 1.0
C3C H:HDD760 4.2 41.4 1.0
C2D H:HDD760 4.3 41.2 1.0
C2C H:HDD760 4.3 43.9 1.0
C3D H:HDD760 4.3 38.0 1.0
C3B H:HDD760 4.3 47.8 1.0
C2A H:HDD760 4.3 43.0 1.0
C2B H:HDD760 4.4 49.8 1.0
C3A H:HDD760 4.5 45.0 1.0
NE2 D:HIS128 4.5 36.8 1.0
CD2 D:HIS128 4.5 38.6 1.0
CG2 D:VAL127 4.5 33.0 1.0
CZ H:ARG411 4.6 33.8 1.0
CZ D:PHE214 4.6 38.8 1.0
CD1 H:TYR415 4.7 30.8 1.0
CE1 D:PHE214 4.9 38.6 1.0

Iron binding site 5 out of 8 in 1ye9

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Iron binding site 5 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe760

b:44.2
occ:1.00
FE M:HDD760 0.0 44.2 1.0
OH M:TYR415 1.7 23.8 1.0
ND M:HDD760 1.9 51.0 1.0
NA M:HDD760 2.1 50.1 1.0
NC M:HDD760 2.1 50.5 1.0
NB M:HDD760 2.1 59.6 1.0
CZ M:TYR415 2.9 31.6 1.0
C4D M:HDD760 2.9 50.4 1.0
C1D M:HDD760 2.9 49.3 1.0
CHA M:HDD760 2.9 49.8 1.0
C1A M:HDD760 3.0 49.0 1.0
CHD M:HDD760 3.0 46.5 1.0
C4C M:HDD760 3.0 53.5 1.0
C1C M:HDD760 3.1 56.4 1.0
C4B M:HDD760 3.1 61.7 1.0
CHC M:HDD760 3.1 58.6 1.0
C4A M:HDD760 3.1 48.5 1.0
C1B M:HDD760 3.2 62.3 1.0
CE1 M:TYR415 3.5 32.2 1.0
CHB M:HDD760 3.5 56.8 1.0
CE2 M:TYR415 3.9 35.4 1.0
C3D M:HDD760 4.3 53.0 1.0
C2D M:HDD760 4.3 51.0 1.0
NE M:ARG411 4.3 32.1 1.0
C3C M:HDD760 4.3 59.7 1.0
C2A M:HDD760 4.3 40.0 1.0
C2C M:HDD760 4.3 57.5 1.0
C3B M:HDD760 4.4 64.0 1.0
C3A M:HDD760 4.4 40.7 1.0
C2B M:HDD760 4.4 66.5 1.0
NE2 I:HIS128 4.4 37.3 1.0
CD2 I:HIS128 4.4 39.1 1.0
CG2 I:VAL127 4.5 33.4 1.0
CZ I:PHE214 4.6 39.9 1.0
NH2 M:ARG411 4.8 37.5 1.0
CZ M:ARG411 4.8 35.3 1.0
CD1 M:TYR415 4.8 31.4 1.0
CE1 I:PHE214 4.9 38.8 1.0
CD M:ARG411 4.9 29.1 1.0

Iron binding site 6 out of 8 in 1ye9

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Iron binding site 6 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe760

b:38.8
occ:1.00
FE N:HDD760 0.0 38.8 1.0
ND N:HDD760 1.9 42.8 1.0
OH N:TYR415 2.0 23.7 1.0
NB N:HDD760 2.1 33.6 1.0
NC N:HDD760 2.1 37.9 1.0
NA N:HDD760 2.1 40.7 1.0
C1D N:HDD760 2.8 46.1 1.0
C4D N:HDD760 2.9 42.4 1.0
CHD N:HDD760 2.9 44.2 1.0
CZ N:TYR415 3.0 31.2 1.0
CHA N:HDD760 3.0 34.2 1.0
C4C N:HDD760 3.0 38.5 1.0
C4B N:HDD760 3.0 40.0 1.0
C1A N:HDD760 3.1 37.1 1.0
C1C N:HDD760 3.1 37.1 1.0
CHC N:HDD760 3.1 36.6 1.0
C4A N:HDD760 3.1 37.4 1.0
C1B N:HDD760 3.1 34.5 1.0
CE1 N:TYR415 3.5 32.0 1.0
CHB N:HDD760 3.5 39.1 1.0
NE N:ARG411 3.9 30.6 1.0
CE2 N:TYR415 4.1 34.9 1.0
NH2 N:ARG411 4.1 37.1 1.0
C2D N:HDD760 4.2 47.6 1.0
C3D N:HDD760 4.2 43.2 1.0
C3C N:HDD760 4.2 37.5 1.0
C3B N:HDD760 4.3 40.7 1.0
C2C N:HDD760 4.3 41.7 1.0
C2A N:HDD760 4.3 37.1 1.0
C2B N:HDD760 4.3 37.2 1.0
C3A N:HDD760 4.4 32.5 1.0
NE2 J:HIS128 4.5 38.0 1.0
CZ N:ARG411 4.5 34.7 1.0
CD2 J:HIS128 4.5 39.3 1.0
CG2 J:VAL127 4.7 34.0 1.0
CZ J:PHE214 4.7 39.5 1.0
CD1 N:TYR415 4.8 30.5 1.0
O1D N:HDD760 4.9 44.0 1.0
CD N:ARG411 5.0 28.9 1.0

Iron binding site 7 out of 8 in 1ye9

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Iron binding site 7 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Fe760

b:53.5
occ:1.00
FE O:HDD760 0.0 53.5 1.0
OH O:TYR415 1.8 23.0 1.0
ND O:HDD760 1.9 53.8 1.0
NC O:HDD760 2.1 45.6 1.0
NA O:HDD760 2.1 52.8 1.0
NB O:HDD760 2.1 57.4 1.0
C4D O:HDD760 2.9 53.8 1.0
CZ O:TYR415 2.9 31.9 1.0
C1D O:HDD760 2.9 55.1 1.0
CHA O:HDD760 2.9 53.5 1.0
CHD O:HDD760 3.0 48.9 1.0
C1A O:HDD760 3.0 55.6 1.0
C4B O:HDD760 3.0 52.5 1.0
C4C O:HDD760 3.1 47.3 1.0
CHC O:HDD760 3.1 45.9 1.0
C1C O:HDD760 3.1 45.4 1.0
C1B O:HDD760 3.2 60.4 1.0
C4A O:HDD760 3.2 54.5 1.0
CE1 O:TYR415 3.4 31.8 1.0
CHB O:HDD760 3.6 57.8 1.0
CE2 O:TYR415 4.0 35.5 1.0
NE O:ARG411 4.1 33.1 1.0
NE2 K:HIS128 4.1 37.3 1.0
CD2 K:HIS128 4.2 39.2 1.0
C2D O:HDD760 4.2 59.0 1.0
C3D O:HDD760 4.2 57.6 1.0
NH2 O:ARG411 4.3 36.5 1.0
C3B O:HDD760 4.3 57.0 1.0
C3C O:HDD760 4.3 42.6 1.0
C2C O:HDD760 4.3 44.4 1.0
C2B O:HDD760 4.4 60.1 1.0
C2A O:HDD760 4.4 51.1 1.0
C3A O:HDD760 4.4 54.1 1.0
CG2 K:VAL127 4.6 33.2 1.0
CZ O:ARG411 4.7 35.7 1.0
CZ K:PHE214 4.7 39.8 1.0
CD1 O:TYR415 4.8 30.3 1.0
OND O:HDD760 5.0 61.5 1.0

Iron binding site 8 out of 8 in 1ye9

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Iron binding site 8 out of 8 in the Crystal Structure of Proteolytically Truncated Catalase Hpii From E. Coli


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 Proteolytically Truncated Catalase Hpii From E. Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Fe760

b:30.6
occ:1.00
FE P:HDD760 0.0 30.6 1.0
ND P:HDD760 2.0 19.1 1.0
OH P:TYR415 2.1 24.1 1.0
NA P:HDD760 2.1 17.0 1.0
NB P:HDD760 2.1 21.7 1.0
NC P:HDD760 2.1 24.5 1.0
C1D P:HDD760 3.0 23.2 1.0
C1A P:HDD760 3.0 19.1 1.0
CZ P:TYR415 3.0 31.4 1.0
C4D P:HDD760 3.0 24.4 1.0
CHD P:HDD760 3.0 21.8 1.0
CHA P:HDD760 3.0 28.3 1.0
C4C P:HDD760 3.0 29.2 1.0
C4B P:HDD760 3.1 33.7 1.0
C4A P:HDD760 3.1 24.4 1.0
C1C P:HDD760 3.1 26.5 1.0
CHC P:HDD760 3.1 23.5 1.0
C1B P:HDD760 3.1 28.7 1.0
CE1 P:TYR415 3.5 32.4 1.0
CHB P:HDD760 3.5 26.9 1.0
CE2 P:TYR415 4.0 35.5 1.0
NE P:ARG411 4.1 31.7 1.0
C2A P:HDD760 4.2 21.0 1.0
C3C P:HDD760 4.2 29.4 1.0
C3B P:HDD760 4.3 31.9 1.0
C3A P:HDD760 4.3 25.6 1.0
C2D P:HDD760 4.3 28.6 1.0
C3D P:HDD760 4.3 30.9 1.0
C2C P:HDD760 4.4 32.2 1.0
C2B P:HDD760 4.4 31.9 1.0
NH2 P:ARG411 4.4 36.6 1.0
CZ L:PHE214 4.5 40.2 1.0
NE2 L:HIS128 4.6 37.0 1.0
CZ P:ARG411 4.7 33.9 1.0
CD2 L:HIS128 4.8 38.4 1.0
CD1 P:TYR415 4.8 31.9 1.0
CG2 L:VAL127 4.8 33.5 1.0
CE1 L:PHE214 4.9 39.0 1.0
CG P:ARG411 5.0 31.0 1.0

Reference:

P.Chelikani, X.Carpena, R.Perez-Luque, L.J.Donald, H.W.Duckworth, J.Switala, I.Fita, P.C.Loewen. Characterization of A Large Subunit Catalase Truncated By Proteolytic Cleavage(,) Biochemistry V. 44 5597 2005.
ISSN: ISSN 0006-2960
PubMed: 15823018
DOI: 10.1021/BI047277M
Page generated: Sun Dec 13 14:37:19 2020

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