Chlorine in PDB 3ntd: Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C531S Mutant

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

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

Resolution Low / High (Å)	115.85 / 1.99
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	133.737, 133.737, 79.713, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 18.5

The binding sites of Chlorine atom in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C531S Mutant (pdb code 3ntd). 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 C531S Mutant, PDB code: 3ntd:
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 C531S 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 C531S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl566 b:29.7 occ:1.00 OG A:SER531 3.2 30.1 1.0 N A:VAL533 3.2 27.4 1.0 N A:ARG536 3.4 27.4 1.0 N A:GLN532 3.4 28.8 1.0 NE A:ARG536 3.4 23.0 1.0 CB A:SER531 3.5 31.6 1.0 N A:LEU535 3.5 27.4 1.0 CG2 A:VAL533 3.7 25.4 1.0 CB A:ARG536 3.8 28.8 1.0 N A:GLY534 3.8 29.7 1.0 NH2 A:ARG536 4.0 27.8 1.0 CA A:GLN532 4.0 27.5 1.0 CG A:ARG536 4.0 30.9 1.0 CA A:VAL533 4.1 26.9 1.0 CB A:GLN532 4.1 26.7 1.0 C A:GLN532 4.1 26.3 1.0 CZ A:ARG536 4.1 29.3 1.0 CA A:ARG536 4.2 29.5 1.0 CB A:LEU535 4.2 29.6 1.0 CA A:LEU535 4.2 28.2 1.0 C A:SER531 4.3 30.7 1.0 C A:LEU535 4.3 27.8 1.0 CD A:ARG536 4.3 28.1 1.0 C A:VAL533 4.3 27.9 1.0 C A:GLY534 4.4 28.7 1.0 CB A:VAL533 4.4 29.2 1.0 CA A:SER531 4.5 30.0 1.0 CA A:GLY534 4.7 26.3 1.0 CD2 A:LEU535 4.8 32.1 1.0 N A:GLY537 4.8 28.4 1.0 CG1 A:VAL533 5.0 31.2 1.0

Chlorine binding site 2 out of 2 in the Structure of the Shewanella Loihica Pv-4 Nadh-Dependent Persulfide Reductase C531S 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 C531S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl566 b:28.6 occ:1.00 OG B:SER531 2.9 30.7 1.0 NE B:ARG536 3.2 28.6 1.0 N B:ARG536 3.3 25.2 1.0 N B:VAL533 3.4 24.4 1.0 CB B:SER531 3.5 30.3 1.0 N B:LEU535 3.5 23.1 1.0 N B:GLN532 3.5 27.2 1.0 NH2 B:ARG536 3.7 28.4 1.0 N B:GLY534 3.8 26.9 1.0 CB B:ARG536 3.8 24.3 1.0 CG B:ARG536 3.8 30.4 1.0 CZ B:ARG536 3.9 30.8 1.0 CG1 B:VAL533 4.0 25.0 1.0 CB B:LEU535 4.0 26.9 1.0 CA B:LEU535 4.0 26.0 1.0 CA B:GLN532 4.1 25.2 1.0 CB B:GLN532 4.1 25.6 1.0 CD B:ARG536 4.2 27.5 1.0 C B:LEU535 4.2 24.0 1.0 C B:SER531 4.2 29.0 1.0 CB B:VAL533 4.2 27.9 1.0 CA B:ARG536 4.2 26.0 1.0 C B:GLN532 4.2 24.8 1.0 C B:GLY534 4.3 24.0 1.0 CA B:VAL533 4.3 25.5 1.0 CA B:SER531 4.4 28.4 1.0 C B:VAL533 4.4 27.0 1.0 CA B:GLY534 4.6 25.5 1.0 N B:GLY537 4.9 29.5 1.0 CG B:LEU535 4.9 31.2 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