Chlorine in PDB 7nl8: Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide, PDB code: 7nl8 was solved by M.Gardonyi, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.56 / 1.59
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.53, 57.53, 159.52, 90, 90, 120
R / Rfree (%)	19.1 / 21.9

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide (pdb code 7nl8). 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 A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide, PDB code: 7nl8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide


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 A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:39.0 occ:1.00 N A:LEU121 3.2 31.6 1.0 C A:ALA119 3.3 28.1 1.0 CA A:ALA119 3.4 24.1 1.0 CB A:LEU121 3.5 27.7 1.0 N A:LYS122 3.5 28.9 1.0 N A:PRO120 3.6 24.5 1.0 CA A:LEU121 3.8 27.4 1.0 CB A:ALA119 3.8 25.5 1.0 O A:ALA119 3.8 27.3 1.0 CD A:PRO120 3.8 27.9 1.0 CG A:LEU121 4.0 34.7 1.0 CG A:LYS122 4.1 29.2 1.0 C A:LEU121 4.1 30.4 1.0 C A:PRO120 4.2 28.4 1.0 CA A:PRO120 4.5 26.4 1.0 CD1 A:LEU121 4.5 34.2 1.0 CB A:LYS122 4.5 26.7 1.0 CG A:PRO120 4.6 32.0 1.0 CA A:LYS122 4.6 25.3 1.0 CE A:LYS122 4.7 42.0 1.0 CD A:LYS122 4.7 34.9 1.0 N A:ALA119 4.8 26.8 1.0 O A:LYS118 4.9 32.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide


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 A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:44.6 occ:1.00 O A:HOH373 2.7 32.0 1.0 N A:GLN88 3.2 28.8 1.0 C A:GLN85 3.3 26.5 1.0 CG A:GLN88 3.3 39.0 1.0 CA A:GLN85 3.4 23.7 1.0 N A:GLN87 3.5 26.2 1.0 CB A:GLN85 3.6 26.2 1.0 CB A:GLN88 3.6 29.0 1.0 O A:GLN85 3.6 24.9 1.0 N A:PHE86 3.7 26.3 1.0 CB A:GLN87 3.9 29.8 1.0 CA A:GLN87 4.0 27.1 1.0 CA A:GLN88 4.0 27.6 1.0 C A:GLN87 4.0 25.9 1.0 C A:PHE86 4.4 30.0 1.0 CG A:GLN85 4.5 31.3 1.0 CA A:PHE86 4.6 28.7 1.0 O A:HOH388 4.7 47.1 1.0 N A:GLN85 4.8 26.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide


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 A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:32.9 occ:1.00 O B:HOH353 2.8 33.5 1.0 O B:HOH351 2.9 39.1 1.0 OG B:SER134 3.0 28.4 1.0 N B:TYR104 3.1 23.6 1.0 CB B:TYR104 3.7 16.6 1.0 CB B:SER134 3.8 26.8 1.0 CA B:TYR104 3.9 17.9 1.0 OD1 B:ASP103 4.0 32.9 1.0 CB B:ASP136 4.0 23.4 1.0 CD2 B:LEU139 4.0 23.4 1.0 C B:ASP103 4.1 31.0 1.0 CA B:ASP103 4.1 32.1 1.0 CD2 B:TYR104 4.1 28.8 1.0 O B:ASN102 4.2 34.6 1.0 CA B:SER134 4.3 24.5 1.0 CG B:TYR104 4.4 19.4 1.0 N B:THR105 4.4 21.1 1.0 C B:TYR104 4.5 19.7 1.0 N B:ASP136 4.6 25.9 1.0 N B:ASN135 4.6 34.0 1.0 CG B:ASP103 4.9 38.2 1.0 CA B:ASP136 5.0 22.8 1.0 OG1 B:THR105 5.0 33.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide


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 A Shortened Ipgc Variant in Complex with 3- Methylbenzohydrazide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:54.9 occ:1.00 N B:LEU121 3.3 39.1 1.0 CB B:LEU121 3.3 52.5 1.0 C B:ALA119 3.5 35.9 1.0 N B:LYS122 3.5 35.8 1.0 CA B:ALA119 3.5 31.8 1.0 CA B:LEU121 3.7 43.0 1.0 CB B:ALA119 3.7 33.6 1.0 N B:PRO120 3.8 37.4 1.0 O B:ALA119 3.9 31.8 1.0 CG B:LEU121 3.9 52.7 1.0 C B:LEU121 4.1 35.3 1.0 CD B:PRO120 4.1 40.0 1.0 CG B:LYS122 4.2 35.0 1.0 C B:PRO120 4.3 32.4 1.0 CB B:LYS122 4.5 31.1 1.0 CA B:LYS122 4.6 30.0 1.0 CA B:PRO120 4.7 35.5 1.0 CG B:PRO120 4.9 40.0 1.0 CD B:LYS122 4.9 38.3 1.0 N B:ALA119 4.9 32.8 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant in Complex with 3-Methylbenzohydrazide To Be Published.