Chlorine in PDB 3nta: Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase

All present enzymatic activity of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase:
1.8.1.14;

The structure of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase, PDB code: 3nta was solved by M.H.Sazinsky, E.J.Crane, M.D.Warner, V.Lukose, K.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	116.37 / 2.01
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	134.343, 134.343, 81.235, 90.00, 90.00, 120.00
R / Rfree (%)	13.7 / 17.3

The binding sites of Chlorine atom in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase (pdb code 3nta). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase, PDB code: 3nta:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl575 b:57.6 occ:1.00 SG A:CYS531 2.9 49.6 1.0 CB A:CYS531 3.3 41.5 1.0 N A:GLN532 3.3 38.1 1.0 N A:VAL533 3.3 32.3 1.0 NE A:ARG536 3.4 35.7 1.0 N A:ARG536 3.6 30.2 1.0 NH2 A:ARG536 3.7 40.1 1.0 CG2 A:VAL533 3.9 32.3 1.0 N A:GLY534 3.9 31.8 1.0 N A:LEU535 3.9 33.1 1.0 CA A:GLN532 3.9 36.8 1.0 CB A:GLN532 3.9 36.8 1.0 CB A:ARG536 4.0 34.0 1.0 CZ A:ARG536 4.1 34.8 1.0 C A:GLN532 4.1 33.9 1.0 C A:CYS531 4.2 40.8 1.0 CA A:VAL533 4.3 31.0 1.0 CG A:ARG536 4.3 36.0 1.0 CA A:CYS531 4.4 41.7 1.0 CA A:ARG536 4.4 33.1 1.0 CD A:ARG536 4.5 33.9 1.0 CA A:LEU535 4.5 31.2 1.0 C A:VAL533 4.5 29.6 1.0 C A:LEU535 4.5 29.9 1.0 CB A:LEU535 4.6 34.6 1.0 CB A:VAL533 4.6 29.4 1.0 C A:GLY534 4.7 33.1 1.0 CA A:GLY534 4.9 29.3 1.0 N A:GLY537 5.0 32.8 1.0

Chlorine binding site 2 out of 2 in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl575 b:53.4 occ:1.00 SG B:CYS531 2.8 43.2 1.0 NE B:ARG536 3.3 42.8 1.0 N B:VAL533 3.4 30.9 1.0 CB B:CYS531 3.4 38.0 1.0 CG2 B:VAL533 3.4 32.6 1.0 N B:GLN532 3.4 34.3 1.0 N B:ARG536 3.6 30.6 1.0 N B:LEU535 3.7 33.3 1.0 NH2 B:ARG536 3.8 41.2 1.0 N B:GLY534 3.8 33.4 1.0 CZ B:ARG536 4.0 43.2 1.0 CA B:GLN532 4.0 33.2 1.0 CB B:ARG536 4.0 34.0 1.0 CB B:GLN532 4.1 35.4 1.0 C B:CYS531 4.2 35.6 1.0 C B:GLN532 4.2 31.9 1.0 CG B:ARG536 4.2 38.8 1.0 CD B:ARG536 4.2 43.7 1.0 CA B:VAL533 4.3 32.8 1.0 CA B:LEU535 4.3 32.8 1.0 CA B:ARG536 4.4 33.0 1.0 CA B:CYS531 4.4 37.2 1.0 CB B:VAL533 4.4 33.5 1.0 C B:LEU535 4.4 30.7 1.0 CB B:LEU535 4.5 34.2 1.0 C B:GLY534 4.6 33.9 1.0 C B:VAL533 4.6 32.3 1.0 CA B:GLY534 4.7 32.9 1.0 N B:GLY537 4.9 31.2 1.0 CG1 B:VAL533 5.0 34.1 1.0

M.D.Warner, V.Lukose, K.H.Lee, K.Lopez, M.H Sazinsky, E.J.Crane. Characterization of An Nadh-Dependent Persulfide Reductase From Shewanella Loihica Pv-4: Implications For the Mechanism of Sulfur Respiration Via Fad-Dependent Enzymes . Biochemistry V. 50 194 2010.
ISSN: ISSN 0006-2960
PubMed: 21090815
DOI: 10.1021/BI101232Y