Chlorine in PDB 4rtb: X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans, PDB code: 4rtb was solved by Y.Nicolet, A.Pagnier, L.Zeppieri, L.Martin, P.Amara, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 2.79
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.230, 92.230, 167.600, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.5

The structure of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans (pdb code 4rtb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans, PDB code: 4rtb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:81.5 occ:1.00 NH2 A:ARG160 2.4 0.9 1.0 NH2 A:ARG128 2.5 86.9 1.0 NE2 A:GLN323 3.1 83.0 1.0 ND2 A:ASN162 3.2 72.7 1.0 CE1 A:HIS260 3.5 82.7 1.0 CZ A:ARG160 3.5 97.8 1.0 CZ A:ARG128 3.6 91.0 1.0 OG1 A:THR183 3.7 77.4 1.0 ND1 A:HIS260 3.8 82.5 1.0 NH1 A:ARG128 3.9 91.6 1.0 CD A:GLN323 3.9 82.5 1.0 OE1 A:GLN323 4.0 81.0 1.0 CG2 A:THR261 4.1 76.9 1.0 CG A:ASN162 4.2 75.0 1.0 NH1 A:ARG160 4.2 96.7 1.0 OD1 A:ASN162 4.3 80.4 1.0 CB A:THR183 4.4 73.0 1.0 NE A:ARG160 4.4 89.3 1.0 CD A:ARG160 4.5 79.1 1.0 NE2 A:HIS260 4.5 83.7 1.0 NE A:ARG128 4.7 88.5 1.0 NE2 A:GLN185 4.8 82.3 1.0 CG2 A:THR183 4.9 65.3 1.0 CG A:HIS260 5.0 77.9 1.0

Chlorine binding site 2 out of 5 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:0.8 occ:1.00 OG A:SER354 3.3 0.8 1.0 N A:ALA356 3.8 83.0 1.0 CB A:ALA356 4.0 69.2 1.0 N A:LEU355 4.2 94.0 1.0 CB A:LEU355 4.3 74.3 1.0 CE1 A:HIS417 4.3 0.1 1.0 CG A:MET124 4.3 86.7 1.0 NE2 A:HIS417 4.4 0.9 1.0 O A:MET124 4.5 86.9 1.0 CA A:ALA356 4.5 77.0 1.0 CA A:LEU355 4.6 83.8 1.0 CB A:SER354 4.6 0.3 1.0 C A:LEU355 4.7 83.0 1.0 C A:SER354 4.9 0.5 1.0

Chlorine binding site 3 out of 5 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:90.9 occ:1.00 CB A:HIS417 3.3 97.9 1.0 CA A:HIS417 3.8 0.1 1.0 CB A:GLU419 4.0 95.9 1.0 C A:HIS417 4.2 93.4 1.0 N A:GLU419 4.2 92.7 1.0 CG A:HIS417 4.3 0.8 1.0 CD A:PRO418 4.4 98.7 1.0 N A:PRO418 4.4 0.0 1.0 N A:LEU420 4.4 89.6 1.0 CD2 A:HIS417 4.5 0.1 1.0 CA A:GLU419 4.6 96.4 1.0 O A:HIS417 4.8 91.9 1.0 CB A:LEU420 5.0 83.7 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:0.7 occ:1.00 N A:GLN310 3.3 74.7 1.0 CG A:GLN310 3.5 95.7 1.0 NH1 A:ARG353 3.7 0.5 1.0 CA A:PRO309 3.8 85.9 1.0 CB A:GLN310 4.0 94.3 1.0 C A:PRO309 4.1 79.3 1.0 CA A:GLN310 4.3 80.6 1.0 CB A:PRO309 4.3 89.1 1.0 CZ A:ARG353 4.7 0.5 1.0 NH2 A:ARG353 4.7 0.9 1.0

Chlorine binding site 5 out of 5 in the X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the Fefe-Hydrogenase Maturase Hydg From Carboxydothermus Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:83.3 occ:1.00 OG A:SER328 3.5 98.0 1.0 O A:SER325 3.5 0.7 1.0 N A:ALA327 3.7 81.3 1.0 NE A:ARG353 3.7 0.5 1.0 N A:SER328 3.7 85.2 1.0 CG A:ARG353 4.1 0.3 1.0 CB A:SER328 4.2 87.9 1.0 CD A:ARG353 4.3 0.9 1.0 CG A:ARG307 4.3 0.2 1.0 C A:ALA326 4.3 77.0 1.0 CA A:ALA326 4.3 74.6 1.0 CA A:ALA327 4.4 80.8 1.0 C A:SER325 4.4 92.9 1.0 CD A:ARG307 4.4 0.2 1.0 CB A:ARG307 4.4 0.6 1.0 C A:ALA327 4.5 83.8 1.0 CA A:SER328 4.6 82.6 1.0 OG A:SER325 4.7 92.6 1.0 CZ A:ARG353 4.8 0.5 1.0 N A:ALA326 4.8 84.1 1.0 NH2 A:ARG353 4.9 0.9 1.0 O A:SER328 4.9 74.8 1.0

Y.Nicolet, A.Pagnier, L.Zeppieri, L.Martin, P.Amara, J.C.Fontecilla-Camps. Crystal Structure of Hydg From Carboxydothermus Hydrogenoformans: A Trifunctional [Fefe]-Hydrogenase Maturase. Chembiochem 2014.
ISSN: ESSN 1439-7633
PubMed: 25504963
DOI: 10.1002/CBIC.201402661