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Iron in PDB 5tqp: Lipoxygenase-1 (Soybean) I553G Mutant at 300K

Enzymatic activity of Lipoxygenase-1 (Soybean) I553G Mutant at 300K

All present enzymatic activity of Lipoxygenase-1 (Soybean) I553G Mutant at 300K:
1.13.11.12;

Protein crystallography data

The structure of Lipoxygenase-1 (Soybean) I553G Mutant at 300K, PDB code: 5tqp was solved by E.M.Poss, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.41 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.570, 92.868, 100.925, 90.00, 93.41, 90.00
R / Rfree (%) 13.6 / 15.9

Iron Binding Sites:

The binding sites of Iron atom in the Lipoxygenase-1 (Soybean) I553G Mutant at 300K (pdb code 5tqp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Lipoxygenase-1 (Soybean) I553G Mutant at 300K, PDB code: 5tqp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5tqp

Go back to Iron Binding Sites List in 5tqp
Iron binding site 1 out of 2 in the Lipoxygenase-1 (Soybean) I553G Mutant at 300K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lipoxygenase-1 (Soybean) I553G Mutant at 300K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:18.8
occ:1.00
HE2 A:HIS690 1.4 13.0 0.1
O A:HOH1030 2.1 19.4 1.0
NE2 A:HIS499 2.2 12.9 0.5
NE2 A:HIS504 2.2 16.5 0.7
NE2 A:HIS690 2.2 9.6 0.8
OXT A:ILE839 2.2 16.7 1.0
NE2 A:HIS504 2.3 14.9 0.3
NE2 A:HIS690 2.3 10.8 0.1
NE2 A:HIS499 2.3 14.6 0.5
CE1 A:HIS499 3.0 13.4 0.5
HE1 A:HIS499 3.0 16.1 0.5
OD1 A:ASN694 3.1 24.5 1.0
CE1 A:HIS499 3.1 16.9 0.5
CE1 A:HIS504 3.1 14.2 0.7
CE1 A:HIS690 3.1 11.7 0.8
HE1 A:HIS499 3.2 20.2 0.5
CE1 A:HIS504 3.2 14.2 0.3
C A:ILE839 3.2 21.6 1.0
CD2 A:HIS690 3.2 10.8 0.1
CD2 A:HIS690 3.2 12.8 0.8
CD2 A:HIS504 3.2 15.8 0.7
HE1 A:HIS504 3.2 17.1 0.7
CD2 A:HIS504 3.3 14.6 0.3
HE1 A:HIS690 3.3 14.0 0.8
HD2 A:HIS690 3.3 13.0 0.1
CD2 A:HIS499 3.3 17.4 0.5
CE1 A:HIS690 3.3 11.2 0.1
HE1 A:HIS504 3.3 17.1 0.3
O A:ILE839 3.3 20.7 1.0
CD2 A:HIS499 3.4 17.1 0.5
HD2 A:HIS690 3.4 15.3 0.8
HD2 A:HIS504 3.4 18.9 0.7
HD2 A:HIS504 3.5 17.5 0.3
HE1 A:HIS690 3.5 13.5 0.1
HD2 A:HIS499 3.6 20.9 0.5
HG23 A:ILE837 3.6 19.5 1.0
HD2 A:HIS499 3.6 20.5 0.5
CG A:ASN694 3.7 16.9 1.0
HB2 A:ASN694 3.7 16.9 1.0
ND1 A:HIS499 4.2 16.6 0.5
CB A:ASN694 4.2 14.1 1.0
H A:ILE839 4.2 19.4 1.0
ND1 A:HIS504 4.2 14.3 0.7
HG23 A:ILE839 4.3 27.5 1.0
ND1 A:HIS690 4.3 15.2 0.8
ND1 A:HIS499 4.3 13.2 0.5
ND1 A:HIS504 4.3 13.1 0.3
CG A:HIS690 4.3 13.3 0.8
CG A:HIS504 4.3 13.8 0.7
CG A:HIS499 4.3 15.1 0.5
CG A:HIS690 4.4 11.8 0.1
ND1 A:HIS690 4.4 12.2 0.1
CG A:HIS504 4.4 12.6 0.3
CG2 A:ILE837 4.4 16.3 1.0
CG A:HIS499 4.4 14.1 0.5
ND2 A:ASN694 4.4 16.3 1.0
HG22 A:ILE837 4.5 19.5 1.0
HD21 A:ASN694 4.5 19.5 1.0
CA A:ILE839 4.6 16.7 1.0
HG21 A:ILE837 4.7 19.5 1.0
HB3 A:ASN694 4.8 16.9 1.0
HD22 A:LEU754 4.8 30.1 0.5
HD13 A:LEU754 4.8 29.6 0.5
N A:ILE839 4.8 16.2 1.0
HE22 A:GLN697 4.9 21.4 0.2
HB3 A:LEU754 4.9 24.2 0.5
HD1 A:HIS499 4.9 19.9 0.5
HB3 A:LEU754 4.9 24.2 0.5
HD22 A:LEU754 5.0 30.1 0.5
OG1 A:THR503 5.0 14.5 0.3
HD13 A:LEU754 5.0 29.6 0.5

Iron binding site 2 out of 2 in 5tqp

Go back to Iron Binding Sites List in 5tqp
Iron binding site 2 out of 2 in the Lipoxygenase-1 (Soybean) I553G Mutant at 300K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lipoxygenase-1 (Soybean) I553G Mutant at 300K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe901

b:21.0
occ:1.00
HE2 B:HIS499 1.7 17.0 0.4
NE2 B:HIS690 2.1 13.3 0.4
O B:HOH1017 2.1 21.3 1.0
NE2 B:HIS499 2.2 10.7 0.6
NE2 B:HIS504 2.2 17.4 1.0
NE2 B:HIS690 2.2 13.8 0.6
OXT B:ILE839 2.2 17.3 1.0
NE2 B:HIS499 2.5 14.2 0.4
OD1 B:ASN694 2.6 18.3 0.4
CE1 B:HIS690 3.0 13.6 0.4
CE1 B:HIS499 3.0 15.3 0.6
HE1 B:HIS499 3.0 18.3 0.6
HE1 B:HIS690 3.1 16.4 0.4
CE1 B:HIS504 3.1 20.1 1.0
CD2 B:HIS690 3.1 14.4 0.6
C B:ILE839 3.2 20.9 1.0
CD2 B:HIS504 3.2 16.9 1.0
CD2 B:HIS690 3.2 14.1 0.4
CE1 B:HIS499 3.2 14.4 0.4
CE1 B:HIS690 3.2 14.5 0.6
HD2 B:HIS690 3.3 17.2 0.6
HE1 B:HIS504 3.3 24.1 1.0
HE1 B:HIS499 3.3 17.3 0.4
CD2 B:HIS499 3.3 17.6 0.6
O B:ILE839 3.3 20.4 1.0
HD2 B:HIS504 3.4 20.3 1.0
HE1 B:HIS690 3.4 17.4 0.6
HD2 B:HIS690 3.4 16.9 0.4
OD1 B:ASN694 3.4 15.0 0.6
CD2 B:HIS499 3.5 16.1 0.4
HD2 B:HIS499 3.6 21.1 0.6
CG B:ASN694 3.6 13.3 0.4
HG23 B:ILE837 3.6 19.1 1.0
HB2 B:ASN694 3.7 16.8 0.6
CG B:ASN694 3.7 13.5 0.6
HD2 B:HIS499 3.7 19.4 0.4
HB2 B:ASN694 3.8 15.6 0.4
ND1 B:HIS690 4.2 12.9 0.4
ND1 B:HIS499 4.2 16.0 0.6
ND2 B:ASN694 4.2 15.0 0.6
CB B:ASN694 4.2 14.0 0.6
ND1 B:HIS504 4.3 16.5 1.0
H B:ILE839 4.3 18.2 1.0
CB B:ASN694 4.3 13.0 0.4
CG B:HIS690 4.3 13.1 0.4
HG23 B:ILE839 4.3 26.1 1.0
HD21 B:ASN694 4.3 18.0 0.6
CG B:HIS690 4.3 13.2 0.6
ND1 B:HIS690 4.3 12.5 0.6
CG B:HIS504 4.3 15.9 1.0
ND1 B:HIS499 4.4 14.4 0.4
CG B:HIS499 4.4 14.2 0.6
CG2 B:ILE837 4.4 15.9 1.0
HG22 B:ILE837 4.5 19.1 1.0
CG B:HIS499 4.5 14.2 0.4
CA B:ILE839 4.6 16.0 1.0
ND2 B:ASN694 4.6 13.0 0.4
HD22 B:ASN694 4.7 18.0 0.6
HG21 B:ILE837 4.7 19.1 1.0
HD21 B:ASN694 4.7 15.7 0.4
HB3 B:ASN694 4.7 16.8 0.6
N B:ILE839 4.8 15.2 1.0
HD13 B:LEU754 4.9 34.0 1.0
HB3 B:ASN694 4.9 15.6 0.4
HD1 B:HIS690 4.9 15.5 0.4
HD1 B:HIS499 4.9 19.2 0.6
HD22 B:LEU754 5.0 36.4 1.0
HE22 B:GLN697 5.0 31.7 0.7

Reference:

A.R.Offenbacher, S.Hu, E.M.Poss, C.A.M.Carr, A.D.Scouras, D.M.Prigozhin, A.T.Iavarone, A.Palla, T.Alber, J.S.Fraser, J.P.Klinman. Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers A Relationship Between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier For Catalytic Proton-Coupled Electron Tunneling. Acs Cent Sci V. 3 570 2017.
ISSN: ESSN 2374-7943
PubMed: 28691068
DOI: 10.1021/ACSCENTSCI.7B00142
Page generated: Sun Dec 13 16:12:48 2020

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