Magnesium in PDB 1mn7: Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp

All present enzymatic activity of Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp:
2.7.4.6;

The structure of Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp, PDB code: 1mn7 was solved by S.Gallois-Montbrun, B.Schneider, Y.Chen, V.Giacomoni-Fernandes, L.Mulard, S.Morera, J.Janin, D.Deville-Bonne, M.Veron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.15
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	71.238, 71.238, 106.677, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 29.5

The binding sites of Magnesium atom in the Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp (pdb code 1mn7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp, PDB code: 1mn7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1165 b:21.8 occ:1.00 O A:HOH1298 1.8 23.9 1.0 O1G A:ABT1160 1.9 35.0 1.0 O A:HOH1167 2.1 31.8 1.0 O A:HOH1180 2.1 37.0 1.0 O1B A:ABT1160 2.2 35.9 1.0 O2A A:ABT1160 2.3 35.4 1.0 PG A:ABT1160 3.2 37.0 1.0 PB A:ABT1160 3.3 35.3 1.0 O3G A:ABT1160 3.5 38.2 1.0 O3B A:ABT1160 3.6 36.0 1.0 PA A:ABT1160 3.6 40.5 1.0 NH1 A:ARG92 3.8 37.2 1.0 O3A A:ABT1160 3.8 36.2 1.0 OD2 A:ASP125 4.0 35.5 1.0 O2G A:ABT1160 4.4 36.1 1.0 CE1 A:TYR56 4.5 46.0 1.0 CE1 A:HIS59 4.6 58.6 1.0 C5' A:ABT1160 4.6 39.0 1.0 B1A A:ABT1160 4.6 37.6 1.0 O5' A:ABT1160 4.6 37.7 1.0 O2B A:ABT1160 4.6 37.2 1.0 O A:GLY123 4.7 29.6 1.0 CG A:ASP125 5.0 34.0 1.0

Magnesium binding site 2 out of 2 in the Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ndp Kinase Mutant (H122G;N119S;F64W) in Complex with Abazttp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2165 b:8.6 occ:1.00 O B:HOH2176 1.7 24.2 1.0 O1G B:ABT2160 1.8 31.1 1.0 O2A B:ABT2160 2.0 35.1 1.0 O B:HOH2166 2.1 18.2 1.0 O B:HOH2170 2.1 12.4 1.0 O1B B:ABT2160 2.3 30.2 1.0 PG B:ABT2160 3.0 30.1 1.0 PB B:ABT2160 3.2 28.9 1.0 PA B:ABT2160 3.3 36.0 1.0 O3B B:ABT2160 3.3 29.2 1.0 O3A B:ABT2160 3.5 33.2 1.0 O3G B:ABT2160 3.6 31.6 1.0 O B:HOH2193 3.7 28.2 1.0 OD2 B:ASP125 4.0 37.6 1.0 NH1 B:ARG92 4.1 34.5 1.0 O B:HOH2191 4.1 27.9 1.0 O2G B:ABT2160 4.3 29.1 1.0 CE1 B:HIS59 4.3 35.9 1.0 CE1 B:TYR56 4.3 26.7 1.0 O B:HOH2198 4.3 30.4 1.0 O5' B:ABT2160 4.3 37.8 1.0 B1A B:ABT2160 4.4 40.7 1.0 C5' B:ABT2160 4.4 39.6 1.0 O2B B:ABT2160 4.6 28.3 1.0 O B:HOH2325 4.7 35.4 1.0 O B:GLY123 4.8 29.5 1.0 CD1 B:TYR56 4.8 24.8 1.0 NE2 B:HIS59 5.0 34.9 1.0

S.Gallois-Montbrun, B.Schneider, Y.Chen, V.Giacomoni-Fernandes, L.Mulard, S.Morera, J.Janin, D.Deville-Bonne, M.Veron. Improving Nucleoside Diphosphate Kinase For Antiviral Nucleotide Analogs Activation J.Biol.Chem. V. 277 39953 2002.
ISSN: ISSN 0021-9258
PubMed: 12171931
DOI: 10.1074/JBC.M206360200