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Iron in PDB 1ggf: Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.

Enzymatic activity of Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.

All present enzymatic activity of Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide., PDB code: 1ggf was solved by W.R.Melik-Adamyan, J.Bravo, X.Carpena, J.Switala, M.J.Mate, I.Fita, P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.95 / 2.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.372, 133.415, 121.918, 90.00, 109.63, 90.00
R / Rfree (%) 17.4 / 25.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide. (pdb code 1ggf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide., PDB code: 1ggf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1ggf

Go back to Iron Binding Sites List in 1ggf
Iron binding site 1 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.


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 Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe760

b:14.3
occ:1.00
 FE A:HEM760 0.0 14.3 1.0
OH A:TYR415 2.0 14.5 1.0
ND A:HEM760 2.0 14.8 1.0
NC A:HEM760 2.0 14.7 1.0
NA A:HEM760 2.0 13.0 1.0
NB A:HEM760 2.0 14.4 1.0
O1 A:PEO3001 2.9 29.1 1.0
CZ A:TYR415 2.9 14.2 1.0
C4C A:HEM760 3.0 15.7 1.0
C4D A:HEM760 3.0 14.8 1.0
C1A A:HEM760 3.0 12.8 1.0
C1D A:HEM760 3.0 15.1 1.0
C4A A:HEM760 3.0 12.1 1.0
C1C A:HEM760 3.1 15.0 1.0
C1B A:HEM760 3.1 14.6 1.0
C4B A:HEM760 3.1 15.5 1.0
CHD A:HEM760 3.4 14.9 1.0
CHA A:HEM760 3.4 14.4 1.0
CHB A:HEM760 3.4 13.3 1.0
CHC A:HEM760 3.5 12.8 1.0
CE1 A:TYR415 3.5 14.8 1.0
CE2 A:TYR415 3.9 14.0 1.0
NE A:ARG411 4.0 13.1 1.0
NH2 A:ARG411 4.1 8.2 1.0
O2 A:PEO3001 4.2 29.1 1.0
C3C A:HEM760 4.2 16.3 1.0
C3D A:HEM760 4.2 14.8 1.0
C2D A:HEM760 4.2 16.3 1.0
C2C A:HEM760 4.3 15.8 1.0
C2A A:HEM760 4.3 13.4 1.0
C3A A:HEM760 4.3 12.9 1.0
C2B A:HEM760 4.3 14.6 1.0
C3B A:HEM760 4.3 14.7 1.0
CZ A:ARG411 4.4 11.9 1.0
CZ A:PHE214 4.8 10.1 1.0
CG2 A:VAL127 4.8 8.5 1.0
CD1 A:TYR415 4.8 16.0 1.0
OD1 A:ASN128 5.0 15.6 1.0
CD A:ARG411 5.0 14.1 1.0

Iron binding site 2 out of 4 in 1ggf

Go back to Iron Binding Sites List in 1ggf
Iron binding site 2 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.


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 Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe760

b:18.1
occ:1.00
 FE B:HEM760 0.0 18.1 1.0
NB B:HEM760 2.0 17.2 1.0
NA B:HEM760 2.0 16.8 1.0
NC B:HEM760 2.0 18.6 1.0
ND B:HEM760 2.0 16.3 1.0
OH B:TYR415 2.1 21.9 1.0
O2 B:PEO4002 2.6 28.6 1.0
C4A B:HEM760 3.0 16.6 1.0
C4C B:HEM760 3.0 18.0 1.0
C1B B:HEM760 3.0 17.6 1.0
C1C B:HEM760 3.0 18.5 1.0
CZ B:TYR415 3.0 20.5 1.0
C1D B:HEM760 3.0 15.4 1.0
C4B B:HEM760 3.1 18.1 1.0
C4D B:HEM760 3.1 15.3 1.0
C1A B:HEM760 3.1 17.0 1.0
CHB B:HEM760 3.4 16.7 1.0
CHD B:HEM760 3.4 16.0 1.0
CHC B:HEM760 3.5 17.9 1.0
CHA B:HEM760 3.5 16.5 1.0
CE1 B:TYR415 3.7 19.7 1.0
O1 B:PEO4002 3.8 25.6 1.0
CE2 B:TYR415 3.9 19.5 1.0
NE B:ARG411 4.1 13.0 1.0
NH2 B:ARG411 4.1 12.7 1.0
C3C B:HEM760 4.2 18.3 1.0
C2C B:HEM760 4.2 18.5 1.0
C3A B:HEM760 4.2 15.6 1.0
C2B B:HEM760 4.3 17.2 1.0
C3B B:HEM760 4.3 17.2 1.0
C2D B:HEM760 4.3 15.0 1.0
C3D B:HEM760 4.3 14.5 1.0
C2A B:HEM760 4.3 15.7 1.0
CZ B:ARG411 4.5 14.2 1.0
CZ B:PHE214 4.6 16.8 1.0
CG2 B:VAL127 4.7 12.9 1.0
CD1 B:TYR415 4.9 18.6 1.0
OD1 B:ASN128 5.0 19.2 1.0

Iron binding site 3 out of 4 in 1ggf

Go back to Iron Binding Sites List in 1ggf
Iron binding site 3 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.


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 Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe760

b:17.9
occ:1.00
 FE C:HEM760 0.0 17.9 1.0
OH C:TYR415 2.0 16.7 1.0
NA C:HEM760 2.0 17.5 1.0
NC C:HEM760 2.0 18.9 1.0
ND C:HEM760 2.0 18.3 1.0
NB C:HEM760 2.0 17.7 1.0
CZ C:TYR415 3.0 18.2 1.0
C4A C:HEM760 3.0 18.8 1.0
O2 C:PEO5002 3.0 34.9 1.0
C4C C:HEM760 3.0 18.8 1.0
C1B C:HEM760 3.0 18.1 1.0
C1A C:HEM760 3.0 17.6 1.0
C1D C:HEM760 3.1 17.9 1.0
C4B C:HEM760 3.1 17.6 1.0
C1C C:HEM760 3.1 19.6 1.0
C4D C:HEM760 3.1 18.5 1.0
CHB C:HEM760 3.4 18.0 1.0
CHD C:HEM760 3.4 16.4 1.0
CHC C:HEM760 3.5 18.8 1.0
CHA C:HEM760 3.5 17.2 1.0
CE1 C:TYR415 3.7 19.1 1.0
NE C:ARG411 3.9 16.0 1.0
CE2 C:TYR415 3.9 17.2 1.0
NH2 C:ARG411 4.1 13.1 1.0
C3A C:HEM760 4.2 19.2 1.0
C3C C:HEM760 4.2 20.3 1.0
C2A C:HEM760 4.2 19.0 1.0
C2B C:HEM760 4.3 18.5 1.0
C2C C:HEM760 4.3 19.5 1.0
C3B C:HEM760 4.3 18.0 1.0
C2D C:HEM760 4.3 17.3 1.0
C3D C:HEM760 4.3 17.3 1.0
O1 C:PEO5002 4.4 35.8 1.0
CZ C:ARG411 4.5 16.2 1.0
CZ C:PHE214 4.7 17.0 1.0
CG2 C:VAL127 4.8 14.6 1.0
CD C:ARG411 4.9 17.5 1.0
CD1 C:TYR415 4.9 17.7 1.0
CG C:ARG411 5.0 18.5 1.0

Iron binding site 4 out of 4 in 1ggf

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Iron binding site 4 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide.


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 Catalase Hpii From Escherichia Coli, Variant HIS128ASN, Complex with Hydrogen Peroxide. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe760

b:15.4
occ:1.00
 FE D:HEM760 0.0 15.4 1.0
OH D:TYR415 1.9 14.6 1.0
ND D:HEM760 2.0 15.7 1.0
NB D:HEM760 2.0 15.2 1.0
NA D:HEM760 2.0 15.1 1.0
NC D:HEM760 2.0 16.9 1.0
CZ D:TYR415 2.9 14.6 1.0
C1D D:HEM760 3.0 15.2 1.0
C1B D:HEM760 3.0 13.8 1.0
C4D D:HEM760 3.0 15.1 1.0
C4B D:HEM760 3.0 15.7 1.0
C4C D:HEM760 3.1 16.2 1.0
C4A D:HEM760 3.1 14.4 1.0
C1C D:HEM760 3.1 15.2 1.0
C1A D:HEM760 3.1 14.6 1.0
O1 D:PEO6001 3.3 22.0 1.0
CHD D:HEM760 3.4 14.8 1.0
CHC D:HEM760 3.4 16.1 1.0
CHB D:HEM760 3.4 14.7 1.0
CHA D:HEM760 3.4 14.8 1.0
CE1 D:TYR415 3.6 12.9 1.0
CE2 D:TYR415 3.9 13.6 1.0
NE D:ARG411 4.0 18.2 1.0
NH2 D:ARG411 4.2 17.6 1.0
C2D D:HEM760 4.2 16.5 1.0
C3D D:HEM760 4.2 15.5 1.0
C3B D:HEM760 4.3 15.1 1.0
C2B D:HEM760 4.3 14.1 1.0
C3C D:HEM760 4.3 15.6 1.0
C2C D:HEM760 4.3 15.5 1.0
C3A D:HEM760 4.3 14.2 1.0
C2A D:HEM760 4.3 14.6 1.0
CZ D:ARG411 4.5 18.4 1.0
O2 D:PEO6001 4.5 21.7 1.0
CG2 D:VAL127 4.7 11.7 1.0
CZ D:PHE214 4.8 11.0 1.0
CD1 D:TYR415 4.8 14.2 1.0
CD D:ARG411 4.9 17.6 1.0

Reference:

W.Melik-Adamyan, J.Bravo, X.Carpena, J.Switala, M.J.Mate, I.Fita, P.C.Loewen. Substrate Flow in Catalases Deduced From the Crystal Structures of Active Site Variants of Hpii From Escherichia Coli. Proteins V. 44 270 2001.
ISSN: ISSN 0887-3585
PubMed: 11455600
DOI: 10.1002/PROT.1092
Page generated: Sun Dec 13 14:15:29 2020

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