Magnesium in PDB 5cjp: The Structural Basis For CDC42-Induced Dimerization of Iqgaps

The structure of The Structural Basis For CDC42-Induced Dimerization of Iqgaps, PDB code: 5cjp was solved by D.K.Worthylake, V.K.Boyapati, L.Lecour Jr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.633, 120.169, 157.079, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 28.7

The binding sites of Magnesium atom in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps (pdb code 5cjp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps, PDB code: 5cjp:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structural Basis For CDC42-Induced Dimerization of Iqgaps within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:39.5 occ:1.00 O2G A:GTP201 2.2 23.1 1.0 O2B A:GTP201 2.4 29.5 1.0 OG1 A:THR17 2.4 32.0 1.0 CG2 A:THR35 2.5 31.6 1.0 OD1 A:ASP57 3.0 39.4 1.0 O A:HOH301 3.0 27.3 1.0 PG A:GTP201 3.2 26.8 1.0 O A:THR58 3.4 39.2 1.0 O1G A:GTP201 3.4 27.1 1.0 PB A:GTP201 3.5 21.9 1.0 OG1 A:THR35 3.6 35.2 1.0 CB A:THR35 3.6 37.5 1.0 CG A:ASP57 3.7 42.4 1.0 CB A:THR17 3.7 34.6 1.0 OD2 A:ASP57 3.7 40.5 1.0 O3B A:GTP201 3.8 33.0 1.0 N A:THR17 3.9 34.7 1.0 CE A:LYS16 4.0 28.9 1.0 O1B A:GTP201 4.1 22.7 1.0 NZ A:LYS16 4.2 22.7 1.0 N A:THR35 4.2 34.6 1.0 CA A:THR17 4.3 34.3 1.0 CB A:LYS16 4.3 34.2 1.0 C A:THR58 4.5 34.3 1.0 CA A:THR35 4.5 34.5 1.0 O3G A:GTP201 4.6 25.9 1.0 C A:LYS16 4.8 34.6 1.0 O3A A:GTP201 4.8 30.3 1.0 CG2 A:THR17 4.9 27.6 1.0 N A:THR58 4.9 36.0 1.0 CB A:ASP57 5.0 40.2 1.0

Magnesium binding site 2 out of 4 in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structural Basis For CDC42-Induced Dimerization of Iqgaps within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:38.5 occ:1.00 O2B B:GTP201 2.4 33.0 1.0 O3G B:GTP201 2.5 27.2 1.0 OG1 B:THR17 2.5 35.0 1.0 CG2 B:THR35 2.6 37.0 1.0 O B:HOH301 3.1 22.4 1.0 OD1 B:ASP57 3.1 41.9 1.0 O B:THR58 3.3 37.4 1.0 PG B:GTP201 3.3 30.1 1.0 O2G B:GTP201 3.4 32.8 1.0 PB B:GTP201 3.4 31.9 1.0 OD2 B:ASP57 3.6 44.2 1.0 OG1 B:THR35 3.6 44.9 1.0 CG B:ASP57 3.7 44.0 1.0 CB B:THR35 3.7 39.7 1.0 N B:THR17 3.7 39.4 1.0 CB B:THR17 3.7 38.3 1.0 CE B:LYS16 3.8 39.9 1.0 O3B B:GTP201 3.8 35.1 1.0 CB B:LYS16 4.0 42.3 1.0 O1B B:GTP201 4.0 28.3 1.0 NZ B:LYS16 4.1 33.5 1.0 CA B:THR17 4.2 39.3 1.0 C B:THR58 4.4 37.3 1.0 C B:LYS16 4.5 41.2 1.0 N B:THR35 4.5 35.0 1.0 CA B:THR35 4.7 37.6 1.0 O1G B:GTP201 4.8 26.8 1.0 CA B:LYS16 4.8 41.2 1.0 CD B:LYS16 4.8 38.8 1.0 O3A B:GTP201 4.8 32.7 1.0 N B:THR58 4.9 37.4 1.0 CG B:LYS16 4.9 41.2 1.0 CG2 B:THR17 4.9 29.9 1.0

Magnesium binding site 3 out of 4 in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structural Basis For CDC42-Induced Dimerization of Iqgaps within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:51.9 occ:1.00 O1G C:GTP201 2.3 52.8 1.0 OG1 C:THR17 2.4 41.7 1.0 O1B C:GTP201 2.4 55.5 1.0 O C:HOH302 2.7 38.6 1.0 OG1 C:THR35 2.7 53.3 1.0 OD2 C:ASP57 3.1 52.9 1.0 CG2 C:THR35 3.3 57.2 1.0 PG C:GTP201 3.3 47.5 1.0 O C:THR58 3.5 55.4 1.0 OD1 C:ASP57 3.5 47.7 1.0 CB C:THR35 3.6 56.4 1.0 PB C:GTP201 3.6 49.5 1.0 CB C:THR17 3.6 51.5 1.0 CG C:ASP57 3.6 52.6 1.0 O2G C:GTP201 3.7 48.1 1.0 O3B C:GTP201 3.9 54.3 1.0 N C:THR17 4.0 54.2 1.0 N C:THR35 4.1 50.9 1.0 O2B C:GTP201 4.2 54.2 1.0 CA C:THR17 4.3 54.2 1.0 CA C:THR35 4.4 52.9 1.0 CE C:LYS16 4.4 29.7 1.0 NZ C:LYS16 4.4 27.3 1.0 CB C:LYS16 4.5 48.9 1.0 C C:THR58 4.6 56.5 1.0 CG2 C:THR17 4.7 42.5 1.0 O3G C:GTP201 4.8 50.6 1.0 C C:LYS16 4.9 56.1 1.0 O3A C:GTP201 4.9 54.6 1.0

Magnesium binding site 4 out of 4 in the The Structural Basis For CDC42-Induced Dimerization of Iqgaps


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Structural Basis For CDC42-Induced Dimerization of Iqgaps within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:56.3 occ:1.00 O1G D:GTP201 2.4 65.8 1.0 OG1 D:THR35 2.5 84.9 1.0 OG1 D:THR17 2.6 82.0 1.0 OD2 D:ASP57 2.7 78.0 1.0 O1B D:GTP201 3.0 66.0 1.0 O D:THR58 3.0 85.2 1.0 O D:HOH303 3.3 50.4 1.0 CG2 D:THR35 3.3 83.3 1.0 CG D:ASP57 3.4 86.6 1.0 OD1 D:ASP57 3.5 78.7 1.0 CB D:THR35 3.5 79.1 1.0 PG D:GTP201 3.6 66.5 1.0 O2G D:GTP201 3.8 62.4 1.0 CB D:THR17 3.9 85.3 1.0 PB D:GTP201 4.1 68.0 1.0 N D:THR17 4.1 92.8 1.0 C D:THR58 4.1 90.1 1.0 CE D:LYS16 4.2 80.3 1.0 N D:THR35 4.3 72.4 1.0 O3B D:GTP201 4.3 64.9 1.0 CB D:LYS16 4.4 91.5 1.0 NZ D:LYS16 4.4 78.7 1.0 CA D:THR17 4.4 88.6 1.0 CA D:THR35 4.5 75.4 1.0 O2B D:GTP201 4.5 63.0 1.0 N D:THR58 4.6 99.9 1.0 CB D:ASP57 4.8 92.5 1.0 C D:LYS16 4.9 95.6 1.0 O3G D:GTP201 4.9 64.7 1.0 CA D:THR58 5.0 94.6 1.0

L.Lecour, V.K.Boyapati, J.Liu, Z.Li, D.B.Sacks, D.K.Worthylake. The Structural Basis For CDC42-Induced Dimerization of Iqgaps. Structure V. 24 1499 2016.
ISSN: ISSN 0969-2126
PubMed: 27524202
DOI: 10.1016/J.STR.2016.06.016