Magnesium in PDB 4tl6: Crystal Structure of N-Terminal Domain of Kaic

All present enzymatic activity of Crystal Structure of N-Terminal Domain of Kaic:
2.7.11.1;

The structure of Crystal Structure of N-Terminal Domain of Kaic, PDB code: 4tl6 was solved by J.Abe, T.B.Hiyama, A.Mukaiyama, S.Son, S.Akiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 1.76
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.823, 81.057, 95.640, 90.00, 132.87, 90.00
R / Rfree (%)	16.9 / 20.8

The structure of Crystal Structure of N-Terminal Domain of Kaic also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of N-Terminal Domain of Kaic (pdb code 4tl6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of N-Terminal Domain of Kaic, PDB code: 4tl6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


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 N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:14.9 occ:1.00 O1G A:ANP301 2.0 16.4 1.0 O2B A:ANP301 2.0 12.4 1.0 O A:HOH424 2.1 16.9 1.0 OG1 A:THR53 2.1 16.7 1.0 O A:HOH423 2.1 17.1 1.0 O A:HOH422 2.2 13.2 1.0 PG A:ANP301 3.2 18.4 1.0 CB A:THR53 3.2 15.0 1.0 PB A:ANP301 3.2 12.4 1.0 N3B A:ANP301 3.4 15.5 1.0 O3G A:ANP301 3.8 24.9 1.0 OD2 A:ASP145 3.8 21.0 0.3 N A:THR53 4.0 14.4 1.0 OD2 A:ASP145 4.0 21.2 0.7 OE2 A:GLU78 4.1 25.7 1.0 O A:HOH467 4.1 24.8 1.0 O2A A:ANP301 4.1 14.2 1.0 CA A:THR53 4.1 12.1 1.0 OD1 A:ASP145 4.2 21.3 0.7 OD1 A:ASP145 4.2 20.9 0.3 O3A A:ANP301 4.2 13.2 1.0 O1B A:ANP301 4.3 14.5 1.0 CG2 A:THR53 4.3 16.7 1.0 NH2 B:ARG226 4.4 17.1 1.0 CG A:ASP145 4.5 21.4 0.3 NE B:ARG226 4.5 20.5 1.0 O2G A:ANP301 4.5 27.3 1.0 O A:HOH482 4.5 45.2 1.0 CG A:ASP145 4.5 21.2 0.7 PA A:ANP301 4.6 14.9 1.0 O1A A:ANP301 4.8 19.4 1.0 O A:HOH484 4.8 45.4 1.0 CZ B:ARG226 4.9 20.2 1.0 CB A:LYS52 5.0 12.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


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 N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:12.8 occ:1.00 O3G B:ANP301 2.0 14.0 1.0 O2B B:ANP301 2.0 11.6 1.0 O B:HOH410 2.1 14.4 1.0 O B:HOH411 2.1 15.6 1.0 OG1 B:THR53 2.1 14.6 1.0 O B:HOH412 2.1 15.6 1.0 PB B:ANP301 3.2 12.4 1.0 CB B:THR53 3.2 14.6 1.0 PG B:ANP301 3.3 20.4 1.0 N3B B:ANP301 3.5 16.5 1.0 OD2 B:ASP145 3.9 17.6 0.3 OE1 B:GLU78 3.9 29.3 1.0 N B:THR53 3.9 10.9 1.0 OD2 B:ASP145 4.0 19.4 0.7 O2G B:ANP301 4.0 36.6 1.0 CA B:THR53 4.1 10.4 1.0 O1A B:ANP301 4.1 12.3 1.0 OD1 B:ASP145 4.2 15.6 0.7 O3A B:ANP301 4.2 15.4 1.0 O1B B:ANP301 4.3 13.5 1.0 CG2 B:THR53 4.3 15.0 1.0 O B:HOH461 4.3 27.9 1.0 OD1 B:ASP145 4.3 14.6 0.3 O1G B:ANP301 4.3 42.8 1.0 O C:HOH462 4.4 33.6 1.0 NH2 C:ARG226 4.4 16.1 1.0 NE C:ARG226 4.5 16.4 1.0 CG B:ASP145 4.5 15.5 0.3 CG B:ASP145 4.5 15.3 0.7 PA B:ANP301 4.6 14.6 1.0 O B:HOH494 4.8 51.5 1.0 O2A B:ANP301 4.8 16.8 1.0 CZ C:ARG226 4.9 18.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


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 N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:16.7 occ:1.00 O1G C:ANP301 1.9 20.0 1.0 O2B C:ANP301 2.0 14.4 1.0 OG1 C:THR53 2.1 18.2 1.0 O C:HOH434 2.1 19.2 1.0 O C:HOH414 2.1 18.3 1.0 O C:HOH405 2.2 17.4 1.0 PG C:ANP301 3.1 24.2 1.0 CB C:THR53 3.2 21.4 1.0 PB C:ANP301 3.2 16.3 1.0 N3B C:ANP301 3.4 23.8 1.0 OD2 C:ASP145 3.9 24.1 0.7 OE1 C:GLU78 3.9 35.2 1.0 OD2 C:ASP145 3.9 23.9 0.3 N C:THR53 4.0 14.5 1.0 O2G C:ANP301 4.0 37.9 1.0 O2A C:ANP301 4.1 16.5 1.0 CA C:THR53 4.1 14.7 1.0 O3G C:ANP301 4.2 31.7 1.0 O1B C:ANP301 4.2 16.6 1.0 OD1 C:ASP145 4.3 21.5 0.3 O C:HOH429 4.3 48.6 1.0 O3A C:ANP301 4.3 18.8 1.0 CG2 C:THR53 4.3 19.4 1.0 OD1 C:ASP145 4.3 21.9 0.7 O C:HOH428 4.4 28.9 1.0 CG C:ASP145 4.5 22.0 0.3 CG C:ASP145 4.5 21.9 0.7 PA C:ANP301 4.6 19.3 1.0 O1A C:ANP301 4.8 23.6 1.0 O C:HOH510 5.0 37.6 1.0

J.Abe, T.B.Hiyama, A.Mukaiyama, S.Son, T.Mori, S.Saito, M.Osako, J.Wolanin, E.Yamashita, T.Kondo, S.Akiyama. Circadian Rhythms. Atomic-Scale Origins of Slowness in the Cyanobacterial Circadian Clock. Science V. 349 312 2015.
ISSN: ESSN 1095-9203
PubMed: 26113637
DOI: 10.1126/SCIENCE.1261040