Magnesium in PDB 1kmq: Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L)

The structure of Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L), PDB code: 1kmq was solved by K.Longenecker, P.Read, S.-K.Lin, A.P.Somlyo, R.K.Nakamoto, Z.S.Derewenda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.581, 73.340, 48.041, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19

The binding sites of Magnesium atom in the Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L) (pdb code 1kmq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L), PDB code: 1kmq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L)


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 Constitutively Activated Rhoa Mutant (Q63L) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:12.3 occ:1.00 O3G A:GNP300 2.0 13.3 1.0 O2B A:GNP300 2.0 11.1 1.0 O A:HOH578 2.1 11.3 1.0 OG1 A:THR19 2.1 11.9 1.0 OG1 A:THR37 2.1 13.9 1.0 O A:HOH551 2.2 12.7 1.0 CB A:THR37 3.0 14.3 1.0 CB A:THR19 3.2 11.8 1.0 PG A:GNP300 3.2 11.6 1.0 PB A:GNP300 3.2 10.7 1.0 N3B A:GNP300 3.3 8.4 1.0 N A:THR37 3.8 14.5 1.0 N A:THR19 3.9 12.2 1.0 O1G A:GNP300 4.0 12.7 1.0 O A:HOH457 4.0 25.9 1.0 CA A:THR37 4.0 14.1 1.0 CG2 A:THR37 4.0 13.8 1.0 OD2 A:ASP59 4.1 14.3 1.0 CA A:THR19 4.1 10.3 1.0 O2A A:GNP300 4.1 13.5 1.0 OD1 A:ASP59 4.2 12.6 1.0 CG2 A:THR19 4.2 12.6 1.0 O3A A:GNP300 4.2 10.1 1.0 O1B A:GNP300 4.3 10.9 1.0 O2G A:GNP300 4.3 13.4 1.0 CG A:ASP59 4.5 12.1 1.0 O A:THR60 4.5 11.7 1.0 PA A:GNP300 4.6 11.6 1.0 O A:VAL35 4.6 21.2 1.0 O1A A:GNP300 4.8 11.3 1.0 C A:PRO36 4.8 18.3 1.0 CB A:LYS18 4.9 10.9 1.0 O A:HOH575 4.9 34.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Constitutively Activated Rhoa Mutant (Q63L)


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 Constitutively Activated Rhoa Mutant (Q63L) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:12.6 occ:1.00 OE1 A:GLU97 2.0 12.2 1.0 O A:HOH409 2.1 12.9 1.0 OD1 A:ASN94 2.1 12.4 1.0 O A:HOH410 2.1 12.9 1.0 CD A:GLU97 3.0 11.9 1.0 CG A:ASN94 3.2 12.8 1.0 OE2 A:GLU97 3.5 14.1 1.0 ND2 A:ASN94 3.7 10.8 1.0 OD1 A:ASP90 4.2 14.2 1.0 OD2 A:ASP90 4.2 15.0 1.0 CG A:GLU97 4.3 12.8 1.0 CB A:ASN94 4.5 10.3 1.0 CB A:GLU97 4.5 10.8 1.0 CG A:ASP90 4.6 12.8 1.0 CA A:ASN94 4.6 10.0 1.0 N A:ASN94 4.9 11.4 1.0

K.Longenecker, P.Read, S.K.Lin, A.P.Somlyo, R.K.Nakamoto, Z.S.Derewenda. Structure of A Constitutively Activated Rhoa Mutant (Q63L) at 1.55 A Resolution. Acta Crystallogr.,Sect.D V. 59 876 2003.
ISSN: ISSN 0907-4449
PubMed: 12777804
DOI: 10.1107/S0907444903005390