Chlorine in PDB 7s14: Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP

The structure of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP, PDB code: 7s14 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)	42.47 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.833, 54.779, 134.446, 90, 90.04, 90
R / Rfree (%)	15.2 / 19.1

The structure of Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP (pdb code 7s14). 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 86-028NP, PDB code: 7s14:
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 86-028NP


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 86-028NP within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:40.2 occ:1.00 O A:HOH470 2.9 33.1 1.0 N A:ASN75 3.4 38.3 1.0 N A:ILE74 3.5 34.1 1.0 NE2 A:GLN76 3.5 24.0 1.0 CA A:MSE73 3.5 29.6 1.0 O A:HOH412 3.5 33.0 1.0 C A:MSE73 3.5 30.0 1.0 O A:GLY72 3.6 29.3 1.0 CG A:GLN76 3.7 25.2 1.0 CB A:ASN75 3.8 44.7 1.0 N A:GLN76 3.9 28.6 1.0 N A:MSE73 4.0 26.6 1.0 CG2 A:ILE74 4.0 42.2 1.0 C A:GLY72 4.0 27.8 1.0 CD A:GLN76 4.1 24.8 1.0 CA A:ASN75 4.1 40.8 1.0 O A:MSE73 4.2 30.9 1.0 C A:ILE74 4.3 37.9 1.0 CA A:ILE74 4.4 37.4 1.0 CG A:ASN75 4.4 48.6 1.0 CB A:GLN76 4.5 23.8 1.0 C A:ASN75 4.5 36.4 1.0 ND2 A:ASN75 4.5 50.0 1.0 O A:ARG20 4.5 34.0 1.0 O A:TRP71 4.6 31.1 1.0 CB A:MSE73 4.8 29.4 1.0 CA A:GLN76 4.8 26.9 1.0 CB A:ILE74 4.8 39.7 1.0 CB A:ARG20 4.9 28.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP


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 86-028NP within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:46.0 occ:1.00 N B:ASN75 3.2 34.5 1.0 C B:MSE73 3.5 27.6 1.0 N B:ILE74 3.5 29.4 1.0 CA B:MSE73 3.5 27.0 1.0 N B:GLN76 3.6 30.0 1.0 CB B:ASN75 3.7 39.7 1.0 CG B:GLN76 3.8 26.6 1.0 CA B:ASN75 3.9 35.1 1.0 NE2 B:GLN76 3.9 25.7 1.0 O B:MSE73 4.0 27.0 1.0 CG2 B:ILE74 4.1 32.3 1.0 N B:MSE73 4.1 27.4 1.0 C B:ILE74 4.2 33.0 1.0 C B:ASN75 4.2 33.8 1.0 O B:GLY72 4.2 26.3 1.0 CD B:GLN76 4.3 24.8 1.0 O B:ARG20 4.3 34.1 1.0 CA B:ILE74 4.3 31.5 1.0 C B:GLY72 4.4 26.6 1.0 CB B:GLN76 4.4 25.8 1.0 CA B:GLN76 4.6 28.8 1.0 ND2 B:ASN75 4.6 45.4 1.0 CB B:ARG20 4.7 28.1 1.0 CG B:ASN75 4.7 43.7 1.0 O B:TRP71 4.8 29.0 1.0 CB B:MSE73 4.8 28.9 1.0 CB B:ILE74 4.9 33.0 1.0 CG B:ARG20 4.9 28.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP


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 86-028NP within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:47.5 occ:1.00 N C:ASN75 3.5 52.0 1.0 N C:ILE74 3.5 47.0 1.0 O C:HOH420 3.6 35.5 1.0 CA C:MSE73 3.6 46.1 1.0 NE2 C:GLN76 3.6 44.4 1.0 C C:MSE73 3.8 46.4 1.0 CG C:GLN76 3.8 45.7 1.0 O C:GLY72 3.8 44.3 1.0 CB C:ASN75 3.8 59.7 1.0 O C:ARG20 4.1 41.6 1.0 N C:GLN76 4.1 51.1 1.0 N C:MSE73 4.1 51.1 1.0 CG C:ASN75 4.1 61.9 1.0 CA C:ASN75 4.2 56.6 1.0 ND2 C:ASN75 4.2 59.1 1.0 C C:GLY72 4.2 46.1 1.0 CG2 C:ILE74 4.2 55.8 1.0 CD C:GLN76 4.2 44.1 1.0 C C:ILE74 4.5 51.6 1.0 CB C:ARG20 4.5 34.1 1.0 CA C:ILE74 4.5 49.2 1.0 CG C:ARG20 4.6 33.0 1.0 O C:MSE73 4.6 48.5 1.0 C C:ASN75 4.7 54.6 1.0 CB C:GLN76 4.7 46.7 1.0 CA C:ARG20 4.8 35.4 1.0 O C:TRP71 4.8 47.1 1.0 OD1 C:ASN75 4.9 66.0 1.0 C C:ARG20 4.9 37.3 1.0 CB C:MSE73 4.9 48.1 1.0 CB C:ILE74 4.9 53.7 1.0

Y.Kim, N.Maltseva, M.Endres, T.Crofts, A.Joachimiak. Crystal Structure of Putative Nad(P)H-Flavin Oxidoreductase From Haemophilus Influenzae 86-028NP To Be Published.