Magnesium in PDB 3sls: Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp

All present enzymatic activity of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp:
2.7.12.2;

The structure of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp, PDB code: 3sls was solved by C.Meier, T.A.Ceska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.502, 153.890, 48.209, 90.00, 101.48, 90.00
R / Rfree (%)	20.6 / 28.7

The structure of Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Iodine	(I)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp (pdb code 3sls). 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 Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp, PDB code: 3sls:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp


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 Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:40.5 occ:1.00 O1G A:ANP400 1.9 34.2 1.0 O1B A:ANP400 1.9 37.0 1.0 O2A A:ANP400 2.0 37.1 1.0 OD2 A:ASP208 2.0 37.8 1.0 OD1 A:ASN195 2.1 23.7 1.0 O A:HOH432 2.1 29.9 1.0 PB A:ANP400 3.1 36.4 1.0 PG A:ANP400 3.1 36.5 1.0 CG A:ASN195 3.2 26.4 1.0 CG A:ASP208 3.2 35.7 1.0 PA A:ANP400 3.2 38.8 1.0 N3B A:ANP400 3.5 36.6 1.0 O3A A:ANP400 3.6 37.5 1.0 O A:HOH495 3.6 29.1 1.0 ND2 A:ASN195 3.7 24.9 1.0 NZ A:LYS97 3.7 48.2 1.0 O3G A:ANP400 3.8 35.2 1.0 CB A:ASP208 3.9 35.2 1.0 O5' A:ANP400 3.9 39.2 1.0 O A:SER194 4.0 27.3 1.0 OG A:SER194 4.2 26.8 1.0 OD1 A:ASP208 4.2 37.7 1.0 O2G A:ANP400 4.3 36.8 1.0 O2B A:ANP400 4.4 37.3 1.0 CE A:LYS97 4.5 48.5 1.0 O1A A:ANP400 4.5 37.9 1.0 CB A:ASN195 4.5 27.4 1.0 C A:SER194 4.5 27.4 1.0 CA A:ASN195 4.7 27.3 1.0 SG A:CYS207 4.8 33.6 0.5 N A:ASN195 4.8 27.6 1.0 CB A:SER194 5.0 26.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp


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 Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:32.8 occ:1.00 O B:HOH466 1.9 29.8 1.0 OD1 B:ASN195 2.0 26.4 1.0 OD2 B:ASP208 2.0 34.6 1.0 O1G B:ANP400 2.0 30.1 1.0 O2A B:ANP400 2.1 37.1 1.0 O1B B:ANP400 2.1 31.8 1.0 CG B:ASN195 3.1 25.9 1.0 CG B:ASP208 3.2 34.8 1.0 PB B:ANP400 3.2 30.9 1.0 PG B:ANP400 3.3 33.3 1.0 PA B:ANP400 3.3 34.5 1.0 O3A B:ANP400 3.6 34.3 1.0 ND2 B:ASN195 3.6 25.7 1.0 O B:HOH18 3.7 38.5 1.0 N3B B:ANP400 3.7 32.7 1.0 NZ B:LYS97 3.7 46.9 1.0 O B:SER194 3.8 27.3 1.0 CB B:ASP208 3.9 35.2 1.0 O3G B:ANP400 4.0 34.0 1.0 O5' B:ANP400 4.1 36.9 1.0 OD1 B:ASP208 4.1 35.8 1.0 OG B:SER194 4.3 28.5 1.0 C B:SER194 4.4 27.5 1.0 CB B:ASN195 4.4 27.0 1.0 O2G B:ANP400 4.5 33.2 1.0 CA B:ASN195 4.5 27.1 1.0 O1A B:ANP400 4.6 35.3 1.0 O2B B:ANP400 4.6 33.6 1.0 SG B:CYS207 4.6 34.8 0.5 N B:ASN195 4.7 27.7 1.0 CB B:SER194 4.8 27.0 1.0 CE B:LYS97 5.0 47.5 1.0

C.Meier, D.C.Brookings, T.A.Ceska, C.Doyle, H.Gong, D.Mcmillan, G.P.Saville, A.Mushtaq, D.Knight, S.Reich, L.H.Pearl, K.A.Powell, R.Savva, R.A.Allen. Engineering Human Mek-1 For Structural Studies: A Case Study of Combinatorial Domain Hunting. J.Struct.Biol. V. 177 329 2012.
ISSN: ISSN 1047-8477
PubMed: 22245778
DOI: 10.1016/J.JSB.2012.01.002