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Chlorine 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:

Arsenic (As) 2 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4r0v

Go back to Chlorine Binding Sites List in 4r0v
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl602

b:73.8
occ:1.00
 O A:HOH745 2.9 49.6 1.0
O A:HOH702 2.9 31.9 1.0
O A:HOH737 2.9 34.8 1.0
CB A:ILE174 3.6 31.2 1.0
CD A:ARG234 3.6 40.6 1.0
CG2 A:ILE174 3.7 32.4 1.0
CG1 A:ILE174 3.7 30.9 1.0
CG A:GLU231 3.8 38.2 1.0
NE A:ARG234 3.9 43.4 1.0
CA A:PRO171 4.0 37.7 1.0
CB A:PRO171 4.1 37.1 1.0
CB A:GLU231 4.1 38.0 1.0
OE1 A:GLU231 4.3 46.0 1.0
CA A:GLU231 4.3 38.0 1.0
CZ A:ARG234 4.4 46.8 1.0
CD A:GLU231 4.5 41.4 1.0
O A:HOH723 4.6 37.3 1.0
NH1 A:ARG234 4.6 50.2 1.0
O A:HOH752 4.6 41.9 1.0
N A:PRO171 4.8 36.8 1.0
O A:HOH733 4.8 38.0 1.0
CG A:PRO171 4.9 40.1 1.0
O A:PRO171 4.9 36.8 1.0
C A:PRO171 5.0 38.3 1.0

Chlorine binding site 2 out of 4 in 4r0v

Go back to Chlorine Binding Sites List in 4r0v
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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
A:Cl603

b:40.1
occ:1.00
 NZ A:LYS228 3.1 32.2 1.0
N A:GLN195 3.2 33.0 1.0
O A:HOH721 3.6 47.6 1.0
CB A:GLN195 3.7 32.6 1.0
CE A:LYS228 3.7 35.5 1.0
CB A:SER193 3.7 32.4 1.0
N A:PRO194 3.7 32.3 1.0
CD A:PRO194 3.8 32.5 1.0
CG A:GLN195 3.8 33.5 1.0
OG A:SER193 3.8 31.0 1.0
CB A:PRO194 3.8 31.5 1.0
CA A:GLN195 4.0 32.3 1.0
C A:PRO194 4.1 33.4 1.0
CA A:PRO194 4.1 32.5 1.0
CG A:PRO194 4.2 31.8 1.0
CD A:LYS228 4.3 35.5 1.0
C A:SER193 4.4 31.8 1.0
SD A:MET223 4.4 38.4 1.0
OE2 A:GLU231 4.6 44.4 1.0
CA A:SER193 4.7 31.6 1.0
CE A:MET223 4.7 39.8 1.0
CD A:GLN195 4.7 31.6 1.0
CG2 A:THR130 4.8 35.2 1.0
SG A:CSO169 4.9 47.2 0.3

Chlorine binding site 3 out of 4 in 4r0v

Go back to Chlorine Binding Sites List in 4r0v
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl602

b:38.3
occ:1.00
 NZ B:LYS228 3.1 32.0 1.0
N B:GLN195 3.2 32.7 1.0
O B:HOH723 3.6 50.1 1.0
CB B:GLN195 3.7 32.6 1.0
CB B:SER193 3.7 32.8 1.0
CE B:LYS228 3.7 36.3 1.0
N B:PRO194 3.8 32.4 1.0
CD B:PRO194 3.8 32.8 1.0
CG B:GLN195 3.8 33.3 1.0
CB B:PRO194 3.8 31.0 1.0
OG B:SER193 3.9 31.2 1.0
CA B:GLN195 4.0 32.3 1.0
C B:PRO194 4.1 33.6 1.0
CA B:PRO194 4.1 33.1 1.0
CG B:PRO194 4.2 31.3 1.0
CD B:LYS228 4.3 35.6 1.0
C B:SER193 4.4 32.0 1.0
SD B:MET223 4.4 37.6 1.0
CE B:MET223 4.6 40.0 1.0
OE2 B:GLU231 4.6 44.2 1.0
CD B:GLN195 4.7 31.6 1.0
CA B:SER193 4.7 31.7 1.0
CG2 B:THR130 4.8 35.5 1.0

Chlorine binding site 4 out of 4 in 4r0v

Go back to Chlorine Binding Sites List in 4r0v
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl603

b:78.8
occ:1.00
 O B:HOH746 2.8 49.7 1.0
O B:HOH738 2.9 35.2 1.0
O B:HOH702 2.9 31.4 1.0
CB B:ILE174 3.6 31.6 1.0
CG2 B:ILE174 3.7 32.8 1.0
CD B:ARG234 3.7 41.2 1.0
CG1 B:ILE174 3.7 31.2 1.0
CG B:GLU231 3.8 38.5 1.0
NE B:ARG234 3.9 43.8 1.0
CA B:PRO171 4.0 37.6 1.0
CB B:PRO171 4.0 36.9 1.0
CB B:GLU231 4.1 38.2 1.0
OE1 B:GLU231 4.3 45.0 1.0
CA B:GLU231 4.3 37.8 1.0
CZ B:ARG234 4.4 46.9 1.0
CD B:GLU231 4.5 41.4 1.0
O B:HOH724 4.6 37.4 1.0
NH1 B:ARG234 4.6 50.4 1.0
O B:HOH751 4.6 42.4 1.0
N B:PRO171 4.8 36.2 1.0
CG B:PRO171 4.8 39.6 1.0
O B:HOH734 4.9 38.2 1.0
O B:PRO171 4.9 36.9 1.0
C B:PRO171 5.0 38.2 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: Fri Jul 26 01:01:38 2024

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