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Arsenic in PDB 4r0v: [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster

Enzymatic activity of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster

All present enzymatic activity of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster:
1.18.99.1;

Protein crystallography data

The structure of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster, PDB code: 4r0v was solved by S.D.Swanson, M.W.Ratzloff, D.W.Mulder, J.H.Artz, S.Ghose, A.Hoffman, S.White, O.A.Zadvornyy, J.B.Broderick, B.Bothner, P.W.King, J.W.Peters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 2.29
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.645, 70.964, 94.686, 90.00, 91.91, 90.00
R / Rfree (%) 20.6 / 25.2

Other elements in 4r0v:

The structure of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster also contains other interesting chemical elements:

Iron (Fe) 8 atoms
Chlorine (Cl) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster (pdb code 4r0v). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster, PDB code: 4r0v:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4r0v

Go back to Arsenic Binding Sites List in 4r0v
Arsenic binding site 1 out of 2 in the [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As604

b:69.5
occ:1.00
NE2 B:HIS475 2.4 53.0 1.0
OE2 A:GLU151 2.6 42.5 1.0
ND1 A:HIS158 2.6 50.3 1.0
OE1 A:GLU161 2.6 50.3 1.0
CG A:HIS158 2.7 54.8 1.0
CB A:HIS158 2.8 53.7 1.0
CE1 B:HIS475 3.1 48.9 1.0
OE1 A:GLU151 3.2 55.1 1.0
CD A:GLU161 3.2 50.5 1.0
CD A:GLU151 3.2 47.5 1.0
CE1 A:HIS158 3.4 52.1 1.0
CD2 A:HIS158 3.5 58.7 1.0
CD2 B:HIS475 3.6 51.1 1.0
NE2 A:HIS147 3.6 56.8 1.0
OE2 A:GLU161 3.6 60.0 1.0
NE2 A:HIS158 3.9 58.6 1.0
CG B:GLU479 4.0 57.7 1.0
CG A:GLU161 4.1 47.8 1.0
CA A:HIS158 4.2 53.9 1.0
CD B:GLU479 4.2 64.5 1.0
ND1 B:HIS475 4.3 49.0 1.0
OD1 A:ASP160 4.3 65.8 1.0
CB A:GLU161 4.4 44.1 1.0
CE1 A:HIS147 4.4 57.3 1.0
OE2 B:GLU479 4.5 78.9 1.0
N A:HIS158 4.5 52.9 1.0
CG B:HIS475 4.5 48.6 1.0
CD2 A:HIS147 4.6 48.4 1.0
CG A:GLU151 4.7 46.0 1.0
OE1 B:GLU479 4.7 61.0 1.0

Arsenic binding site 2 out of 2 in 4r0v

Go back to Arsenic Binding Sites List in 4r0v
Arsenic binding site 2 out of 2 in the [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated By the Modification and Degradation of the H Cluster 2FE Subcluster within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As604

b:71.4
occ:1.00
NE2 A:HIS475 2.4 53.3 1.0
OE2 B:GLU151 2.4 36.0 1.0
OE1 B:GLU161 2.5 50.7 1.0
OE1 B:GLU151 2.5 35.0 1.0
CD B:GLU151 2.6 35.8 1.0
ND1 B:HIS158 2.7 49.7 1.0
NE2 B:HIS147 2.9 54.1 1.0
CG B:HIS158 3.1 54.5 1.0
CE1 A:HIS475 3.3 48.9 1.0
CD B:GLU161 3.3 52.0 1.0
CB B:HIS158 3.4 53.7 1.0
CD2 A:HIS475 3.4 51.7 1.0
CE1 B:HIS158 3.5 52.7 1.0
CE1 B:HIS147 3.6 55.2 1.0
OE2 B:GLU161 3.8 61.0 1.0
CD2 B:HIS147 3.9 48.6 1.0
CG B:GLU151 3.9 36.8 1.0
CD2 B:HIS158 4.1 58.9 1.0
NE2 B:HIS158 4.2 58.5 1.0
O B:HOH795 4.3 49.7 1.0
CG B:GLU161 4.4 48.5 1.0
ND1 A:HIS475 4.4 48.9 1.0
CB B:GLU161 4.5 44.7 1.0
CG A:HIS475 4.5 48.7 1.0
CA B:HIS158 4.6 54.3 1.0
N B:HIS158 4.6 53.0 1.0
CG A:GLU479 4.8 58.6 1.0
ND1 B:HIS147 4.8 51.9 1.0
CG B:HIS147 5.0 45.6 1.0
CB B:GLU151 5.0 36.2 1.0

Reference:

K.D.Swanson, M.W.Ratzloff, D.W.Mulder, J.H.Artz, S.Ghose, A.Hoffman, S.White, O.A.Zadvornyy, J.B.Broderick, B.Bothner, P.W.King, J.W.Peters. [Fefe]-Hydrogenase Oxygen Inactivation Is Initiated at the H Cluster 2FE Subcluster. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25579778
DOI: 10.1021/JA510169S
Page generated: Wed Jul 10 12:26:41 2024

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