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Iron in PDB 5v26: 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans

Enzymatic activity of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans

All present enzymatic activity of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans:
1.13.11.6;

Protein crystallography data

The structure of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans, PDB code: 5v26 was solved by K.Dornevil, F.Liu, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.60 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.229, 57.692, 79.501, 90.00, 103.82, 90.00
R / Rfree (%) 19.8 / 24

Iron Binding Sites:

The binding sites of Iron atom in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans (pdb code 5v26). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans, PDB code: 5v26:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5v26

Go back to Iron Binding Sites List in 5v26
Iron binding site 1 out of 4 in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:23.3
occ:0.56
 OE2 A:GLU57 2.1 24.2 1.0
O A:HOH373 2.1 30.5 1.0
O A:HOH372 2.1 26.9 1.0
NE2 A:HIS95 2.1 23.1 1.0
ND1 A:HIS51 2.2 23.8 1.0
OE1 A:GLU57 2.4 25.9 1.0
CD A:GLU57 2.6 23.6 1.0
CE1 A:HIS95 3.1 23.9 1.0
CE1 A:HIS51 3.1 27.0 1.0
CD2 A:HIS95 3.2 22.3 1.0
CG A:HIS51 3.3 23.6 1.0
CB A:HIS51 3.7 22.8 1.0
CG A:GLU57 4.1 24.1 1.0
ND1 A:HIS95 4.2 24.1 1.0
NE2 A:HIS51 4.2 24.5 1.0
CG A:HIS95 4.3 19.6 1.0
CD2 A:HIS51 4.4 25.6 1.0
OD2 A:ASP53 4.5 27.0 1.0
OE1 A:GLU110 4.6 38.2 1.0
CB A:ASP53 4.7 24.4 1.0
O A:HOH377 4.7 31.6 1.0
CD A:GLU110 5.0 33.6 1.0

Iron binding site 2 out of 4 in 5v26

Go back to Iron Binding Sites List in 5v26
Iron binding site 2 out of 4 in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:45.0
occ:1.00
 SG A:CYS128 2.1 50.4 1.0
SG A:CYS162 2.5 48.6 1.0
NE2 A:GLN167 2.7 61.3 1.0
SG A:CYS125 2.9 54.9 1.0
OE1 A:GLN167 3.0 66.2 1.0
CB A:CYS125 3.2 50.1 1.0
CD A:GLN167 3.2 61.1 1.0
CB A:CYS128 3.2 56.4 1.0
SG A:CYS165 3.3 70.8 1.0
CB A:CYS162 3.4 43.9 1.0
CB A:CYS165 3.5 62.6 1.0
N A:CYS128 3.6 53.3 1.0
CA A:CYS128 3.9 54.3 1.0
CB A:HIS130 4.4 49.4 0.8
C A:CYS128 4.5 52.3 1.0
N A:CYS165 4.5 58.8 1.0
CB A:HIS164 4.6 59.9 1.0
CA A:CYS165 4.6 56.7 1.0
N A:HIS130 4.6 47.8 0.8
N A:GLY129 4.7 53.9 1.0
C A:HIS164 4.7 59.7 1.0
CA A:CYS125 4.7 46.7 1.0
CG A:GLN167 4.7 62.0 1.0
C A:ALA127 4.7 54.8 1.0
CB A:ALA127 4.8 57.1 1.0
CA A:CYS162 4.9 49.5 1.0

Iron binding site 3 out of 4 in 5v26

Go back to Iron Binding Sites List in 5v26
Iron binding site 3 out of 4 in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:28.1
occ:0.59
 OE2 B:GLU57 2.1 32.0 1.0
O B:HOH413 2.1 28.7 1.0
ND1 B:HIS51 2.1 31.6 1.0
O B:HOH316 2.2 28.9 1.0
NE2 B:HIS95 2.2 25.1 1.0
OE1 B:GLU57 2.4 30.5 1.0
CD B:GLU57 2.6 26.6 1.0
CE1 B:HIS51 3.0 30.4 1.0
CE1 B:HIS95 3.1 29.3 1.0
CD2 B:HIS95 3.2 30.7 1.0
CG B:HIS51 3.3 27.1 1.0
CB B:HIS51 3.7 27.9 1.0
O B:HOH415 4.0 43.0 1.0
OE1 B:GLU110 4.1 38.8 1.0
CG B:GLU57 4.1 33.5 1.0
NE2 B:HIS51 4.2 30.2 1.0
ND1 B:HIS95 4.2 27.5 1.0
CD2 B:HIS51 4.3 29.4 1.0
CG B:HIS95 4.3 27.4 1.0
O B:HOH338 4.5 26.6 1.0
OD2 B:ASP53 4.6 33.3 1.0
CB B:ASP53 4.7 27.9 1.0
CD B:GLU110 4.9 32.5 1.0

Iron binding site 4 out of 4 in 5v26

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Iron binding site 4 out of 4 in the 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe202

b:29.4
occ:1.00
 SG B:CYS162 2.2 33.2 1.0
SG B:CYS125 2.3 32.4 1.0
SG B:CYS165 2.3 32.8 1.0
SG B:CYS128 2.4 38.8 1.0
CB B:CYS162 3.1 30.0 1.0
CB B:CYS125 3.1 34.3 1.0
CB B:CYS165 3.4 39.5 1.0
CB B:CYS128 3.4 37.1 1.0
N B:CYS128 3.8 33.5 1.0
N B:CYS165 3.8 36.5 1.0
CA B:CYS165 4.1 34.5 1.0
CA B:CYS128 4.1 39.0 1.0
CA B:CYS162 4.5 29.5 1.0
CB B:ALA127 4.6 38.6 1.0
CA B:CYS125 4.6 33.5 1.0
CB B:HIS164 4.6 36.7 1.0
C B:CYS165 4.7 34.0 1.0
CB B:HIS130 4.7 34.4 1.0
N B:GLY166 4.7 31.4 1.0
O B:HOH403 4.7 33.8 1.0
C B:CYS128 4.7 36.9 1.0
C B:ALA127 4.8 36.4 1.0
C B:HIS164 4.8 39.3 1.0
CB B:GLN167 4.8 36.1 1.0
CD2 B:HIS164 4.9 38.1 1.0
N B:GLY129 5.0 36.7 1.0
N B:GLN167 5.0 35.4 1.0

Reference:

K.Dornevil, F.Liu, A.Liu. 1.78 Angstrom Crystal Structure of P97H 3-Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans To Be Published.
Page generated: Tue Aug 6 10:05:53 2024

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