Zinc 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:

Magnesium

(Mg)

4 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of JNK1 in Complex with ATF2(19-58), PDB code: 6zr5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of JNK1 in Complex with ATF2(19-58)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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 C:Zn101 b:95.4 occ:1.00 NE2 C:HIS45 2.2 78.3 1.0 NE2 C:HIS49 2.4 0.5 1.0 SG C:CYS27 2.5 86.6 1.0 SG C:CYS32 2.8 0.7 1.0 CD2 C:HIS49 2.9 0.0 1.0 CD2 C:HIS45 2.9 74.0 1.0 CB C:CYS32 3.2 0.5 1.0 CB C:CYS27 3.3 84.8 1.0 CE1 C:HIS45 3.3 68.7 1.0 CE1 C:HIS49 3.7 0.7 1.0 CB C:ALA29 3.9 0.3 1.0 CG C:HIS45 4.1 77.4 1.0 CG C:HIS49 4.2 97.8 1.0 ND1 C:HIS45 4.3 73.3 1.0 CB C:ARG34 4.4 98.5 1.0 ND1 C:HIS49 4.5 1.0 1.0 CA C:CYS32 4.6 0.6 1.0 CG C:ARG34 4.7 0.2 1.0 CA C:CYS27 4.8 86.5 1.0 N C:ALA29 4.8 0.8 1.0 O C:CYS32 4.8 0.0 1.0 C C:CYS32 4.8 0.3 1.0 CA C:ALA29 4.9 0.5 1.0

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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 D:Zn101 b:99.3 occ:1.00 NE2 D:HIS45 2.2 84.5 1.0 NE2 D:HIS49 2.3 92.2 1.0 SG D:CYS27 2.5 0.6 1.0 CD2 D:HIS45 2.7 77.3 1.0 SG D:CYS32 2.9 1.0 1.0 CD2 D:HIS49 3.0 90.9 1.0 CB D:CYS27 3.4 0.5 1.0 CE1 D:HIS45 3.4 75.8 1.0 CE1 D:HIS49 3.4 92.6 1.0 CB D:CYS32 3.4 0.0 1.0 CG D:HIS45 3.9 82.3 1.0 CB D:ALA29 4.0 89.7 1.0 CG D:HIS49 4.2 90.1 1.0 ND1 D:HIS45 4.3 83.0 1.0 ND1 D:HIS49 4.4 91.6 1.0 O D:CYS32 4.5 0.2 1.0 CA D:CYS32 4.7 0.7 1.0 C D:CYS32 4.7 0.6 1.0 CA D:CYS27 4.8 0.3 1.0 N D:ALA29 4.9 0.0 1.0 O D:HIS45 5.0 94.4 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