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Chlorine in PDB 8qmm: M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima

Protein crystallography data

The structure of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 8qmm was solved by J.Omeiri, L.Martin, A.Usclat, M.V.Cherrier, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.39 / 1.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 63.81, 82.14, 70.24, 90, 90, 90
R / Rfree (%) 12.6 / 15.2

Other elements in 8qmm:

The structure of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima (pdb code 8qmm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima, PDB code: 8qmm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 1 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:15.8
occ:0.97
 OG1 A:THR134 3.1 13.6 1.0
O A:HOH992 3.1 36.1 1.0
O A:HOH766 3.2 16.3 1.0
NH1 A:ARG155 3.3 14.2 1.0
NE A:ARG54 3.5 14.2 1.0
CD A:ARG54 3.7 14.3 1.0
CD A:ARG155 3.8 14.3 1.0
SD A:MET224 3.8 14.5 0.6
CB A:THR134 3.9 13.2 1.0
CG A:ARG54 3.9 13.6 1.0
CG2 A:THR134 3.9 12.9 1.0
CG2 A:THR103 3.9 14.4 1.0
CZ A:ARG54 4.0 14.1 1.0
CZ A:ARG155 4.3 13.9 1.0
O A:HOH1005 4.3 29.6 0.6
NH2 A:ARG54 4.3 15.2 1.0
NE A:ARG155 4.4 14.7 1.0
CB A:ARG54 4.5 13.5 1.0
CG2 A:VAL105 4.5 14.0 1.0
CE A:MET224 4.6 16.4 0.4
NH1 A:ARG54 4.7 14.4 1.0
CG A:ARG155 4.8 13.7 1.0
CB A:THR103 4.8 14.2 1.0
CB A:ARG155 4.8 13.4 1.0
CD2 A:LEU157 4.9 17.8 1.0
OG1 A:THR103 4.9 14.3 1.0

Chlorine binding site 2 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 2 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:19.4
occ:0.67
 O A:HOH834 2.5 101.8 1.0
N A:ASN293 3.2 13.4 1.0
NH2 A:ARG279 3.4 28.4 1.0
NH1 A:ARG279 3.5 26.1 1.0
CA A:PRO292 3.5 13.2 1.0
CB A:SER319 3.8 16.3 1.0
C A:PRO292 3.9 13.4 1.0
CZ A:ARG279 3.9 39.0 1.0
CB A:ASN293 4.0 14.9 0.6
CB A:ASN293 4.1 15.5 0.4
CA A:ASN293 4.2 13.7 0.6
CA A:ASN293 4.2 14.0 0.4
CB A:PRO292 4.3 14.3 1.0
O A:ILE291 4.4 14.6 1.0
O A:HOH936 4.6 48.8 0.9
N A:PRO292 4.6 13.2 1.0
OG A:SER319 4.7 16.5 1.0
O A:HOH509 4.8 81.1 1.0
CG1 A:VAL323 4.8 16.8 1.0
CA A:SER319 4.8 16.0 1.0
C A:ILE291 4.9 13.1 1.0
OG1 A:THR269 5.0 17.6 0.5
O A:HOH705 5.0 47.4 1.0
O A:ASN293 5.0 16.2 1.0

Chlorine binding site 3 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 3 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:17.2
occ:0.68
 O A:HOH990 1.4 22.7 0.4
O A:HOH822 3.1 17.4 1.0
NH1 A:ARG159 3.3 18.7 1.0
O A:HOH924 3.3 29.2 1.0
O A:HOH862 3.3 18.4 1.0
CG A:PRO266 3.4 16.5 0.6
O A:HOH876 3.5 54.9 1.0
CA A:GLY226 3.8 12.9 1.0
CG A:PRO266 3.9 11.7 0.4
CD1 A:ILE291 3.9 21.2 1.0
CG2 A:THR268 4.0 16.1 1.0
NE A:ARG159 4.1 17.6 1.0
CZ A:ARG159 4.2 18.4 1.0
O A:HOH796 4.2 24.1 1.0
CB A:PRO266 4.3 13.1 0.4
CB A:PRO266 4.3 14.2 0.6
CD A:PRO266 4.6 15.2 0.6
O A:HOH1005 4.6 29.6 0.6
CD A:PRO266 4.6 11.2 0.4
O A:HOH725 4.7 15.7 1.0
C A:GLY226 4.8 12.6 1.0
N A:GLY226 4.8 11.9 1.0
CD1 A:LEU157 4.8 17.4 1.0

Chlorine binding site 4 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 4 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:23.9
occ:0.83
 O A:HOH612 3.1 28.8 1.0
O A:HOH729 3.1 23.4 0.5
O A:HOH876 3.2 54.9 1.0
OH A:TYR306 3.4 20.9 1.0
N A:ALA270 3.4 15.2 1.0
CB A:ALA270 3.6 15.5 1.0
NH1 A:ARG159 3.8 18.7 1.0
O A:HOH729 3.8 25.6 0.5
CB A:THR268 3.8 15.0 1.0
N A:THR269 4.0 16.7 1.0
CA A:ALA270 4.1 15.1 1.0
CE2 A:TYR306 4.2 16.8 1.0
CZ A:TYR306 4.2 16.8 1.0
OG1 A:THR268 4.2 15.8 1.0
CB A:THR269 4.3 13.5 0.5
C A:THR269 4.3 15.5 1.0
CA A:THR269 4.4 14.7 0.5
NH2 A:ARG159 4.4 20.1 1.0
CB A:THR269 4.4 35.0 0.5
CA A:THR269 4.4 20.6 0.5
CZ A:ARG159 4.5 18.4 1.0
CG2 A:THR268 4.5 16.1 1.0
O A:HOH715 4.6 38.4 1.0
C A:THR268 4.6 14.2 1.0
CA A:THR268 4.7 14.2 1.0
OG1 A:THR269 4.9 23.8 0.5
O A:HOH970 5.0 29.2 1.0

Chlorine binding site 5 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 5 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:80.8
occ:0.38
 CL A:CL408 0.0 80.8 0.4
CL A:CL408 1.8 93.6 0.6
N A:MET-9 2.9 30.6 1.0
CD1 A:TRP-8 3.6 34.7 0.4
O A:MET-9 3.6 48.0 1.0
C A:MET-9 3.8 36.6 1.0
CA A:MET-9 3.8 32.7 1.0
CD1 A:TRP-8 3.8 40.0 0.6
NE1 A:TRP-8 4.1 34.2 0.4
O A:HOH687 4.3 35.0 1.0
N A:TRP-8 4.6 34.2 1.0
NE1 A:TRP-8 4.7 32.8 0.6
CG A:TRP-8 4.7 32.4 0.4
CG A:TRP-8 4.8 37.3 0.6

Chlorine binding site 6 out of 6 in 8qmm

Go back to Chlorine Binding Sites List in 8qmm
Chlorine binding site 6 out of 6 in the M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of M291I Variant of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:93.6
occ:0.62
 CL A:CL408 0.0 93.6 0.6
CL A:CL408 1.8 80.8 0.4
N A:MET-9 3.0 30.6 1.0
NE1 A:TRP-8 3.5 34.2 0.4
CD1 A:TRP-8 3.5 34.7 0.4
CD1 A:TRP-8 3.8 40.0 0.6
CA A:MET-9 4.0 32.7 1.0
NE1 A:TRP-8 4.1 32.8 0.6
C A:MET-9 4.5 36.6 1.0
O A:MET-9 4.7 48.0 1.0
CE2 A:TRP-8 4.8 31.1 0.4
CG A:TRP-8 4.9 32.4 0.4

Reference:

J.Omeiri, L.Martin, A.Usclat, M.V.Cherrier, Y.Nicolet. Maturation of the [Fefe]-Hydrogenase: Direct Transfer of the ( Kappa 3-Cysteinate)Feii(Cn)(Co)2 Complex-B From Hydg to Hyde. Angew.Chem.Int.Ed.Engl. 14819 2023.
ISSN: ESSN 1521-3773
PubMed: 37962296
DOI: 10.1002/ANIE.202314819
Page generated: Thu Dec 28 03:28:14 2023

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