Magnesium in PDB 7o04: Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine, PDB code: 7o04 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)	26.42 / 1.74
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.153, 58.153, 155.167, 90, 90, 120
R / Rfree (%)	17.8 / 22

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine (pdb code 7o04). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine, PDB code: 7o04:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:36.9 occ:0.81 O A:HOH402 2.0 40.6 0.8 O A:HOH319 2.1 31.3 0.8 O A:HOH351 2.2 37.0 0.8 O A:HOH396 2.4 33.8 0.8 HB3 A:ASP33 3.2 51.1 1.0 O A:HOH327 3.8 58.1 1.0 OD2 A:ASP33 3.9 64.2 1.0 HB2 A:ASP33 3.9 51.1 1.0 CB A:ASP33 3.9 42.6 1.0 O A:HOH340 4.2 47.4 1.0 OD1 A:ASP34 4.3 72.6 1.0 OD2 A:ASP37 4.4 23.9 1.0 CG A:ASP33 4.4 59.5 1.0 O A:HOH363 4.6 31.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:40.1 occ:1.00 O A:HOH416 4.2 31.5 1.0 O A:HOH310 4.3 23.6 1.0 O A:HOH317 4.6 29.4 1.0 O A:HOH413 4.8 37.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A Shortened Ipgc Variant in Complex with [(2- Chloro-5-Nitrophenyl)Methyl](Methyl)Amine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:20.6 occ:0.65 O B:HOH366 1.9 33.3 1.0 O B:HOH327 2.0 21.6 1.0 O B:HOH355 2.1 36.0 1.0 O B:HOH304 2.3 35.8 1.0 OD1 B:ASP136 3.9 24.6 1.0 HD2 B:LYS138 4.1 65.3 1.0 OD2 B:ASP136 4.1 19.0 1.0 CG B:ASP136 4.2 25.9 1.0 HZ2 B:LYS138 4.5 56.3 1.0 HB2 B:LYS138 4.7 26.5 1.0 O B:HOH365 4.8 38.5 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant in Complex with [(2-Chloro-5-Nitrophenyl)Methyl](Methyl)Amine To Be Published.