Chlorine in PDB 7s1a: Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20

All present enzymatic activity of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20:
1.5.1.38;

The structure of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20, PDB code: 7s1a was solved by N.Maltseva, Y.Kim, 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)	45.68 / 1.97
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	56.815, 56.815, 122.924, 90, 90, 120
R / Rfree (%)	18.4 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20 (pdb code 7s1a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20, PDB code: 7s1a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20


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 Haemophilus Influenzae Rd KW20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:49.5 occ:1.00 O A:HOH457 3.0 44.7 1.0 N A:ASP185 3.3 41.2 1.0 O A:HOH427 3.6 35.3 1.0 CA A:PHE184 3.7 41.8 1.0 CB A:PHE184 3.8 39.3 1.0 CB A:ASP185 3.9 44.0 1.0 CD1 A:TYR189 4.0 36.9 1.0 C A:PHE184 4.0 42.5 1.0 CA A:ASP185 4.2 37.8 1.0 CE1 A:TYR189 4.3 32.9 1.0 CE A:LYS53 4.4 46.9 1.0 CD A:LYS53 4.7 45.0 1.0 O A:ASP185 4.9 36.5 1.0 CG A:TYR189 4.9 35.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20


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 Haemophilus Influenzae Rd KW20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:57.9 occ:1.00 NE2 B:GLN76 3.5 36.9 1.0 CA B:MSE73 3.5 37.0 1.0 CG B:GLN76 3.5 37.2 1.0 O B:GLY72 3.6 37.5 1.0 C B:MSE73 3.6 40.1 1.0 N B:ASN75 3.6 52.7 1.0 N B:ILE74 3.6 42.5 1.0 N B:GLN76 3.8 41.5 1.0 O B:HOH415 3.8 41.4 1.0 CB B:ASN75 3.9 59.8 1.0 CD B:GLN76 3.9 35.0 1.0 N B:MSE73 4.1 31.1 1.0 C B:GLY72 4.1 37.9 1.0 CA B:ASN75 4.2 55.0 1.0 O B:MSE73 4.2 36.9 1.0 O B:ARG20 4.3 41.5 1.0 CB B:GLN76 4.3 38.1 1.0 C B:ASN75 4.5 53.9 1.0 C B:ILE74 4.6 48.3 1.0 CG B:ARG20 4.6 32.8 1.0 CA B:ILE74 4.7 44.2 1.0 CA B:GLN76 4.7 39.6 1.0 CG2 B:ILE74 4.7 46.5 1.0 CB B:MSE73 4.7 33.9 1.0 CB B:ARG20 4.8 33.9 1.0 O B:TRP71 4.9 42.6 1.0 CA B:ARG20 5.0 35.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20


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 Haemophilus Influenzae Rd KW20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:76.7 occ:1.00 O B:HOH413 3.0 55.0 1.0 NH1 B:ARG200 3.1 68.4 1.0 O B:HOH452 4.0 45.5 1.0 OD1 B:ASP203 4.3 70.4 1.0 CZ B:ARG200 4.3 60.6 1.0 O B:SER201 4.3 45.3 1.0 C B:SER201 4.3 45.3 1.0 C B:ARG202 4.4 50.8 1.0 O B:ARG200 4.4 40.1 1.0 O B:ARG202 4.5 52.5 1.0 N B:ARG202 4.5 41.7 1.0 N B:ASP203 4.7 49.9 1.0 CG B:ARG200 4.7 47.4 1.0 CA B:ARG202 4.8 50.1 1.0 CA B:SER201 4.8 46.2 1.0 O B:HOH417 4.9 39.8 0.8 NH2 B:ARG200 5.0 69.0 1.0

N.Maltseva, Y.Kim, M.Endres, T.Crofts, A.Joachimiak. Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae Rd KW20 To Be Published.