Chlorine in PDB 6wt2: Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis

The structure of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis, PDB code: 6wt2 was solved by Y.Kim, N.Maltseva, M.Endres, T.Crofts, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.17 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.556, 70.167, 85.624, 90.00, 89.96, 90.00
R / Rfree (%)	19.3 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis (pdb code 6wt2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis, PDB code: 6wt2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:32.5 occ:1.00 O A:HOH461 2.9 29.3 1.0 N A:ARG20 3.2 25.8 1.0 O A:HOH447 3.4 24.4 1.0 N A:HIS21 3.6 27.4 1.0 CD2 A:HIS21 3.8 39.3 1.0 CA A:ARG20 4.0 26.5 1.0 CG1 A:ILE206 4.0 35.4 1.0 CA A:CYS19 4.0 23.7 1.0 C A:CYS19 4.1 27.5 1.0 CB A:ARG20 4.2 28.6 1.0 CB A:HIS21 4.2 29.8 1.0 C A:ARG20 4.2 27.6 1.0 CD1 A:ILE206 4.2 31.6 1.0 CG A:HIS21 4.3 36.3 1.0 SG A:CYS19 4.3 30.8 1.0 CA A:HIS21 4.4 27.6 1.0 O A:HIS21 4.5 28.0 1.0 O A:SER18 4.6 25.5 1.0 CB A:CYS19 4.7 23.9 1.0 CD A:ARG20 4.7 35.0 1.0 O A:HOH473 4.7 29.6 1.0 NE2 A:GLN204 4.8 48.9 1.0 NE2 A:HIS21 4.9 38.8 1.0 C A:HIS21 4.9 26.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:32.8 occ:1.00 O B:HOH455 3.1 23.9 1.0 O B:HOH482 3.2 27.0 1.0 N B:ARG20 3.2 23.5 1.0 N B:HIS21 3.5 28.3 1.0 CD2 B:HIS21 3.6 30.6 1.0 CB B:HIS21 4.0 25.7 1.0 CA B:ARG20 4.0 21.2 1.0 CG1 B:ILE206 4.0 29.9 1.0 CD1 B:ILE206 4.1 23.6 1.0 CA B:CYS19 4.1 20.0 1.0 CG B:HIS21 4.1 27.6 1.0 C B:CYS19 4.1 23.4 1.0 C B:ARG20 4.2 26.1 1.0 CB B:ARG20 4.2 21.6 1.0 CA B:HIS21 4.3 25.0 1.0 SG B:CYS19 4.4 25.7 1.0 O B:HIS21 4.4 25.8 1.0 O B:SER18 4.7 21.2 1.0 O B:HOH461 4.7 35.5 1.0 CB B:CYS19 4.8 24.0 1.0 NE2 B:GLN204 4.8 43.5 1.0 NE2 B:HIS21 4.8 35.8 1.0 CD B:ARG20 4.8 28.8 1.0 C B:HIS21 4.9 23.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:31.0 occ:1.00 O C:HOH472 3.0 31.1 1.0 O C:HOH489 3.1 32.1 1.0 N C:ARG20 3.2 25.2 1.0 N C:HIS21 3.5 25.5 1.0 CD2 C:HIS21 3.7 32.2 1.0 CG1 C:ILE206 4.0 26.8 1.0 CA C:ARG20 4.0 18.5 1.0 CD1 C:ILE206 4.1 20.3 1.0 CA C:CYS19 4.1 22.5 1.0 CB C:HIS21 4.1 27.4 1.0 C C:CYS19 4.1 25.0 1.0 CB C:ARG20 4.1 25.1 1.0 C C:ARG20 4.1 22.2 1.0 CG C:HIS21 4.2 30.0 1.0 SG C:CYS19 4.3 23.9 1.0 CA C:HIS21 4.3 25.0 1.0 O C:HIS21 4.4 25.7 1.0 NE2 C:GLN204 4.4 52.6 1.0 CB C:CYS19 4.7 24.7 1.0 O C:SER18 4.8 22.2 1.0 CD C:ARG20 4.8 22.7 1.0 C C:HIS21 4.8 25.4 1.0 NE2 C:HIS21 4.9 33.2 1.0 CG C:GLN204 4.9 41.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:32.9 occ:1.00 O D:HOH420 2.9 29.1 1.0 N D:ARG20 3.2 23.2 1.0 O D:HOH430 3.4 27.8 1.0 N D:HIS21 3.6 26.1 1.0 CD2 D:HIS21 3.9 36.5 1.0 CG1 D:ILE206 3.9 30.9 1.0 CD1 D:ILE206 3.9 34.1 1.0 CA D:ARG20 4.0 23.3 1.0 CB D:ARG20 4.1 25.7 1.0 CA D:CYS19 4.1 22.8 1.0 C D:CYS19 4.1 22.7 1.0 CB D:HIS21 4.2 29.1 1.0 C D:ARG20 4.3 25.6 1.0 SG D:CYS19 4.4 26.2 1.0 CG D:HIS21 4.4 34.2 1.0 CA D:HIS21 4.5 25.3 1.0 O D:HIS21 4.6 26.5 1.0 NE2 D:GLN204 4.6 47.7 1.0 O D:SER18 4.7 24.4 1.0 CD D:ARG20 4.7 27.2 1.0 CB D:CYS19 4.8 26.2 1.0 O D:HOH452 4.9 29.9 1.0 C D:HIS21 5.0 25.4 1.0

Y.Kim, N.Maltseva, M.Endres, T.Crofts, A.Joachimiak. Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Neisseria Meningitidis To Be Published.