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Chlorine in PDB 4kl8: High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air

Enzymatic activity of High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air

All present enzymatic activity of High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air:
1.12.99.6;

Protein crystallography data

The structure of High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air, PDB code: 4kl8 was solved by A.Volbeda, C.Cavazza, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.200, 108.720, 136.620, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 17.1

Other elements in 4kl8:

The structure of High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air also contains other interesting chemical elements:

Nickel (Ni) 6 atoms
Iron (Fe) 28 atoms
Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air (pdb code 4kl8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air, PDB code: 4kl8:

Chlorine binding site 1 out of 1 in 4kl8

Go back to Chlorine Binding Sites List in 4kl8
Chlorine binding site 1 out of 1 in the High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Structure of Anaerobically Purified Dm. Baculatum [Nifese]-Hydrogenase After Crystallization Under Air within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl305

b:19.6
occ:0.80
 O S:HOH458 2.6 13.4 1.0
O S:HOH431 2.9 6.8 1.0
N S:ASN253 2.9 6.0 1.0
O S:HOH403 3.0 7.2 1.0
CA S:ASN252 3.5 5.1 1.0
N S:ASN252 3.6 5.1 1.0
CE1 S:HIS167 3.7 6.6 1.0
C S:ASN252 3.7 5.5 1.0
O S:ASN27 3.7 5.7 1.0
CA S:ASN253 3.8 6.5 1.0
CG S:PRO168 3.8 5.9 1.0
O S:HOH452 3.9 20.8 1.0
NE2 S:HIS167 3.9 6.6 1.0
O S:HOH412 4.1 8.8 1.0
CB S:ASN253 4.4 7.9 1.0
CD S:PRO168 4.4 7.3 1.0
CG2 S:VAL29 4.5 6.1 0.4
ND1 S:HIS167 4.6 5.6 1.0
C S:ASN27 4.6 4.7 1.0
C S:TRP251 4.6 6.3 1.0
CG2 S:VAL29 4.7 5.8 0.6
O S:ASN252 4.9 7.3 1.0
CB S:ASN27 4.9 4.6 1.0
CD2 S:HIS167 4.9 8.0 1.0
CB S:ASN252 4.9 5.9 1.0

Reference:

A.Volbeda, P.Amara, M.Iannello, A.L.De Lacey, C.Cavazza, J.C.Fontecilla-Camps. Structural Foundations For the O2 Resistance of Desulfomicrobium Baculatum [Nifese]-Hydrogenase. Chem.Commun.(Camb.) V. 49 7061 2013.
ISSN: ISSN 1359-7345
PubMed: 23811828
DOI: 10.1039/C3CC43619E
Page generated: Sun Jul 21 18:12:15 2024

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