Magnesium in PDB 1jnk: The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp

The structure of The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp, PDB code: 1jnk was solved by X.Xie, M.S.-S.Su, 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 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.500, 71.240, 107.600, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27.4

The binding sites of Magnesium atom in the The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp (pdb code 1jnk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp, PDB code: 1jnk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:39.5 occ:1.00 O2B A:ANP1001 2.3 39.0 1.0 O A:HOH2044 2.4 45.7 1.0 O2A A:ANP1001 2.6 33.8 1.0 N3B A:ANP1001 3.0 46.1 1.0 O A:HOH2094 3.0 45.0 1.0 OD1 A:ASN194 3.1 27.8 1.0 MG A:MG1003 3.1 25.2 1.0 PB A:ANP1001 3.1 39.8 1.0 O2G A:ANP1001 3.1 52.1 1.0 O A:HOH2101 3.5 74.3 1.0 PG A:ANP1001 3.6 52.2 1.0 PA A:ANP1001 3.6 17.5 1.0 O1A A:ANP1001 3.7 21.1 1.0 CG A:ASN194 3.7 28.0 1.0 O3A A:ANP1001 3.9 31.8 1.0 ND2 A:ASN194 4.0 34.9 1.0 O3G A:ANP1001 4.0 52.2 1.0 CB A:ASP207 4.3 19.4 1.0 NZ A:LYS93 4.5 17.4 1.0 O1B A:ANP1001 4.5 33.2 1.0 OD2 A:ASP207 4.6 35.9 1.0 OE1 A:GLN75 4.6 59.6 1.0 CG A:ASP207 4.6 29.7 1.0 CB A:ASN194 4.7 21.5 1.0 O5' A:ANP1001 5.0 21.2 1.0

Magnesium binding site 2 out of 2 in the The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The C-Jun N-Terminal Kinase (JNK3S) Complexed with Mgamp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:25.2 occ:1.00 O2G A:ANP1001 2.0 52.1 1.0 N3B A:ANP1001 2.3 46.1 1.0 OD1 A:ASN194 2.3 27.8 1.0 O A:HOH2151 2.5 15.6 1.0 O2A A:ANP1001 2.5 33.8 1.0 PG A:ANP1001 2.5 52.2 1.0 MG A:MG1002 3.1 39.5 1.0 O1G A:ANP1001 3.3 48.9 1.0 CG A:ASN194 3.5 28.0 1.0 PB A:ANP1001 3.6 39.8 1.0 PA A:ANP1001 3.6 17.5 1.0 OG A:SER193 3.8 25.2 1.0 O3A A:ANP1001 3.9 31.8 1.0 O3G A:ANP1001 4.0 52.2 1.0 O A:SER193 4.1 20.6 1.0 O2B A:ANP1001 4.1 39.0 1.0 CB A:SER193 4.1 21.4 1.0 C5' A:ANP1001 4.1 14.8 1.0 ND2 A:ASN194 4.2 34.9 1.0 C A:SER193 4.3 17.7 1.0 O5' A:ANP1001 4.3 21.2 1.0 O A:HOH2094 4.6 45.0 1.0 N A:ASN194 4.6 14.8 1.0 O1A A:ANP1001 4.7 21.1 1.0 CB A:ASN194 4.7 21.5 1.0 O3' A:ANP1001 4.7 25.5 1.0 CA A:ASN194 4.7 16.2 1.0 C3' A:ANP1001 4.8 20.2 1.0 CA A:SER193 4.9 18.4 1.0 O1B A:ANP1001 4.9 33.2 1.0

X.Xie, Y.Gu, T.Fox, J.T.Coll, M.A.Fleming, W.Markland, P.R.Caron, K.P.Wilson, M.S.Su. Crystal Structure of JNK3: A Kinase Implicated in Neuronal Apoptosis. Structure V. 6 983 1998.
ISSN: ISSN 0969-2126
PubMed: 9739089
DOI: 10.1016/S0969-2126(98)00100-2