Magnesium in PDB 6zr5: Crystal Structure of JNK1 in Complex with ATF2(19-58)

All present enzymatic activity of Crystal Structure of JNK1 in Complex with ATF2(19-58):
2.3.1.48; 2.7.11.24;

The structure of Crystal Structure of JNK1 in Complex with ATF2(19-58), PDB code: 6zr5 was solved by K.Kirsch, A.Zeke, A.Remenyi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.94 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.225, 110.400, 77.634, 90.00, 94.39, 90.00
R / Rfree (%)	18.2 / 25.6

The structure of Crystal Structure of JNK1 in Complex with ATF2(19-58) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of JNK1 in Complex with ATF2(19-58) (pdb code 6zr5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of JNK1 in Complex with ATF2(19-58), PDB code: 6zr5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of JNK1 in Complex with ATF2(19-58)


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 JNK1 in Complex with ATF2(19-58) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:45.8 occ:1.00 O3G A:ANP402 1.9 48.0 1.0 O1B A:ANP402 2.2 65.4 1.0 O A:HOH508 2.4 30.4 1.0 OD1 A:ASN156 2.4 54.4 1.0 O2A A:ANP402 3.0 34.3 1.0 ND2 A:ASN156 3.1 51.8 1.0 CG A:ASN156 3.1 55.0 1.0 PG A:ANP402 3.1 55.9 1.0 O1G A:ANP402 3.4 57.6 1.0 PB A:ANP402 3.5 56.7 1.0 OG A:SER155 3.9 55.7 1.0 N3B A:ANP402 3.9 55.7 1.0 O B:HOH516 4.0 43.1 1.0 O A:HOH529 4.3 46.7 1.0 PA A:ANP402 4.3 62.1 1.0 O3A A:ANP402 4.4 67.5 1.0 O2G A:ANP402 4.4 58.0 1.0 O2B A:ANP402 4.5 61.8 1.0 CB A:ASN156 4.5 51.2 1.0 CE A:LYS153 4.7 73.7 1.0 NZ A:LYS153 4.8 75.8 1.0 CD A:LYS153 4.8 72.2 1.0 O A:SER155 4.8 47.1 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of JNK1 in Complex with ATF2(19-58)


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 JNK1 in Complex with ATF2(19-58) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:61.7 occ:1.00 O2G A:ANP402 2.0 58.0 1.0 O A:HOH501 2.5 59.5 1.0 O A:HOH503 2.6 62.4 1.0 OE1 A:GLU73 2.8 0.2 1.0 OE2 A:GLU73 2.8 0.1 1.0 CD A:GLU73 3.1 96.4 1.0 PG A:ANP402 3.5 55.9 1.0 O A:HOH529 4.0 46.7 1.0 NZ A:LYS55 4.1 54.7 1.0 N3B A:ANP402 4.2 55.7 1.0 O1G A:ANP402 4.2 57.6 1.0 CB A:ASP169 4.3 85.9 1.0 OE1 A:GLN37 4.3 61.8 1.0 O3G A:ANP402 4.5 48.0 1.0 CG A:GLU73 4.5 82.0 1.0 NE2 A:GLN37 4.5 63.5 1.0 O A:HOH546 4.6 60.3 1.0 CD A:GLN37 4.7 59.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of JNK1 in Complex with ATF2(19-58)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of JNK1 in Complex with ATF2(19-58) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:54.9 occ:1.00 OD1 B:ASN156 2.0 68.7 1.0 O1B B:ANP400 2.0 59.5 1.0 O B:HOH536 2.1 99.0 1.0 O3G B:ANP400 2.2 58.2 1.0 O2A B:ANP400 2.3 63.5 1.0 O B:HOH539 2.3 43.7 1.0 CG B:ASN156 2.9 50.3 1.0 ND2 B:ASN156 3.3 45.0 1.0 PB B:ANP400 3.3 53.5 1.0 PG B:ANP400 3.4 58.1 1.0 PA B:ANP400 3.5 56.6 1.0 O3A B:ANP400 3.7 44.4 1.0 O1G B:ANP400 3.8 62.4 1.0 N3B B:ANP400 3.9 56.4 1.0 O B:SER155 4.2 56.3 1.0 OG B:SER155 4.2 53.0 1.0 CB B:ASN156 4.3 32.4 1.0 O5' B:ANP400 4.4 35.1 1.0 C5' B:ANP400 4.5 28.6 1.0 O1A B:ANP400 4.5 38.8 1.0 O2B B:ANP400 4.5 52.9 1.0 CA B:ASN156 4.7 32.4 1.0 O2G B:ANP400 4.7 69.1 1.0 C B:SER155 4.7 52.4 1.0 O3' B:ANP400 4.8 45.7 1.0 N B:ASN156 4.9 41.4 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of JNK1 in Complex with ATF2(19-58)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of JNK1 in Complex with ATF2(19-58) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:68.7 occ:1.00 OE2 B:GLU73 1.9 0.4 1.0 O2G B:ANP400 2.3 69.1 1.0 O B:HOH531 2.5 62.4 1.0 CD B:GLU73 2.9 97.9 1.0 OE1 B:GLU73 3.2 89.0 1.0 NZ B:LYS55 3.6 63.8 1.0 PG B:ANP400 3.7 58.1 1.0 O3G B:ANP400 4.1 58.2 1.0 CB B:ASP169 4.2 86.0 1.0 N3B B:ANP400 4.3 56.4 1.0 CG B:GLU73 4.3 82.0 1.0 OE1 B:GLN37 4.4 68.7 1.0 CA B:ASP169 4.6 77.5 1.0 O1A B:ANP400 4.7 38.8 1.0 CE B:LYS55 4.7 57.0 1.0 O1G B:ANP400 4.9 62.4 1.0

K.Kirsch, A.Zeke, O.Toke, P.Sok, A.Sethi, A.Sebo, G.S.Kumar, P.Egri, A.L.Poti, P.Gooley, W.Peti, I.Bento, A.Alexa, A.Remenyi. Co-Regulation of the Transcription Controlling ATF2 Phosphoswitch By Jnk and P38. Nat Commun V. 11 5769 2020.
ISSN: ESSN 2041-1723
PubMed: 33188182
DOI: 10.1038/S41467-020-19582-3