Chlorine in PDB 3nt6: Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C43S/C531S Double Mutant

All present enzymatic activity of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C43S/C531S Double Mutant:
1.8.1.14;

The structure of Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C43S/C531S Double Mutant, PDB code: 3nt6 was solved by M.H.Sazinsky, E.J.Crane, M.D.Warner, V.Lukose, K.H.Lee, K.Lopez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	115.00 / 2.00
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	133.705, 133.705, 79.238, 90.00, 90.00, 120.00
R / Rfree (%)	12.2 / 15.5

The binding sites of Chlorine atom in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C43S/C531S Double Mutant (pdb code 3nt6). 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 C43S/C531S Double Mutant, PDB code: 3nt6:
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 C43S/C531S Double Mutant


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 C43S/C531S Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl575 b:31.0 occ:1.00 OG A:SER531 3.1 36.4 1.0 N A:ARG536 3.2 30.6 1.0 N A:VAL533 3.3 28.2 1.0 NE A:ARG536 3.3 30.2 1.0 CB A:SER531 3.3 33.3 1.0 N A:GLN532 3.4 31.2 1.0 N A:LEU535 3.6 29.9 1.0 CG2 A:VAL533 3.6 27.4 1.0 NH2 A:ARG536 3.8 32.6 1.0 CG A:ARG536 3.9 29.5 1.0 CB A:ARG536 3.9 31.3 1.0 N A:GLY534 3.9 31.0 1.0 CA A:GLN532 4.0 29.9 1.0 CB A:GLN532 4.0 27.2 1.0 CZ A:ARG536 4.0 32.8 1.0 CB A:LEU535 4.0 32.3 1.0 CA A:LEU535 4.1 30.3 1.0 CA A:ARG536 4.1 30.0 1.0 C A:GLN532 4.1 29.0 1.0 C A:LEU535 4.1 30.9 1.0 C A:SER531 4.1 33.5 1.0 CA A:VAL533 4.2 28.2 1.0 CD A:ARG536 4.3 29.7 1.0 CA A:SER531 4.4 33.4 1.0 C A:VAL533 4.4 28.9 1.0 C A:GLY534 4.4 31.9 1.0 CB A:VAL533 4.5 26.7 1.0 N A:GLY537 4.7 29.4 1.0 CA A:GLY534 4.7 30.1 1.0 C A:ARG536 5.0 30.9 1.0

Chlorine binding site 2 out of 2 in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C43S/C531S Double Mutant


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 C43S/C531S Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl575 b:28.5 occ:1.00 OG B:SER531 3.1 30.7 1.0 NE B:ARG536 3.3 29.4 1.0 N B:VAL533 3.3 25.1 1.0 N B:ARG536 3.3 23.0 1.0 N B:GLN532 3.4 28.3 1.0 N B:LEU535 3.5 25.4 1.0 CB B:SER531 3.5 30.2 1.0 CG1 B:VAL533 3.6 23.2 1.0 N B:GLY534 3.7 25.9 1.0 NH2 B:ARG536 3.8 31.8 1.0 CB B:ARG536 3.9 24.3 1.0 CB B:LEU535 4.0 28.9 1.0 CZ B:ARG536 4.0 31.0 1.0 CA B:GLN532 4.0 27.3 1.0 CB B:GLN532 4.0 27.9 1.0 CA B:LEU535 4.1 27.6 1.0 CB B:VAL533 4.1 25.5 1.0 C B:GLN532 4.1 26.7 1.0 CG B:ARG536 4.1 28.2 1.0 CA B:VAL533 4.2 24.4 1.0 CA B:ARG536 4.2 27.6 1.0 C B:SER531 4.2 30.3 1.0 C B:LEU535 4.2 25.4 1.0 CD B:ARG536 4.2 31.2 1.0 C B:VAL533 4.3 25.6 1.0 C B:GLY534 4.3 25.9 1.0 CA B:SER531 4.4 30.6 1.0 CA B:GLY534 4.7 26.4 1.0 N B:GLY537 4.7 28.2 1.0 CG B:LEU535 5.0 35.6 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