Chlorine in PDB 6czp: 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn

The structure of 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn, PDB code: 6czp was solved by G.Minasov, Z.Wawrzak, T.Skarina, S.Grimshaw, K.Kwon, A.Savchenko, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 2.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.769, 119.659, 131.175, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.4

The binding sites of Chlorine atom in the 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn (pdb code 6czp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn, PDB code: 6czp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:57.3 occ:1.00 ND2 C:ASN115 3.0 52.3 1.0 CB C:ASN115 3.6 49.8 1.0 CG C:ASN115 3.8 50.6 1.0 CA C:GLU112 4.1 60.3 1.0 O C:VAL111 4.5 56.1 1.0 O C:GLU112 4.7 56.3 1.0 N C:GLU112 4.7 59.5 1.0 CB C:GLU112 4.7 64.5 1.0 CG C:GLU112 4.7 66.1 1.0 C C:VAL111 4.8 57.1 1.0 C C:GLU112 4.9 57.8 1.0 CA C:ASN115 5.0 49.9 1.0 OD1 C:ASN115 5.0 47.5 1.0

Chlorine binding site 2 out of 3 in the 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:53.6 occ:1.00 N D:ILE90 3.3 35.1 1.0 O D:HOH457 3.4 67.1 1.0 CA D:ALA89 3.6 34.1 1.0 O D:ILE90 3.6 35.7 1.0 CB D:ALA89 3.8 34.6 1.0 CB D:ALA135 3.9 35.3 1.0 C D:ALA89 4.0 34.4 1.0 CG2 D:ILE90 4.1 34.2 1.0 CG D:ARG129 4.2 32.7 1.0 NE D:ARG129 4.3 35.8 1.0 CA D:ILE90 4.3 34.6 1.0 C D:ILE90 4.4 36.5 1.0 CD D:ARG129 4.7 34.8 1.0 CB D:ILE90 4.8 34.9 1.0 O D:HOH454 4.8 40.6 1.0 O D:THR88 4.8 34.8 1.0 O D:HOH447 4.8 46.5 1.0 CB D:ARG129 4.9 31.4 1.0 N D:ALA89 4.9 33.1 1.0

Chlorine binding site 3 out of 3 in the 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H- Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:66.3 occ:1.00 N G:GLU92 3.1 41.7 1.0 NH1 G:ARG129 3.4 33.8 1.0 CB G:GLU92 3.5 48.2 1.0 CB G:ASP91 3.6 42.1 1.0 CA G:ASP91 3.9 40.6 1.0 CA G:GLU92 3.9 44.3 1.0 NH2 G:ARG129 3.9 34.0 1.0 O A:HOH403 4.0 53.2 1.0 C G:ASP91 4.0 40.6 1.0 CZ G:ARG129 4.1 35.5 1.0 CG G:ASP91 4.7 43.0 1.0 OE2 A:GLU55 4.8 52.6 1.0 CG G:GLU92 4.9 53.5 1.0 O G:HOH424 4.9 62.0 1.0

G.Minasov, Z.Wawrzak, T.Skarina, S.Grimshaw, K.Kwon, A.Savchenko, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase Nfsb From Vibrio Vulnificus in Complex with Fmn. To Be Published.