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Chlorine in PDB 4tl9: Crystal Structure of N-Terminal C1 Domain of Kaic

Enzymatic activity of Crystal Structure of N-Terminal C1 Domain of Kaic

All present enzymatic activity of Crystal Structure of N-Terminal C1 Domain of Kaic:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of N-Terminal C1 Domain of Kaic, PDB code: 4tl9 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) 38.98 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.134, 133.820, 151.167, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.7

Other elements in 4tl9:

The structure of Crystal Structure of N-Terminal C1 Domain of Kaic also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Terminal C1 Domain of Kaic (pdb code 4tl9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of N-Terminal C1 Domain of Kaic, PDB code: 4tl9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 1 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:25.2
occ:1.00
 NE A:ARG218 3.2 17.1 1.0
O B:HOH445 3.2 21.6 1.0
N A:ILE239 3.2 24.0 1.0
O A:HOH478 3.5 45.4 1.0
O A:HOH505 3.7 29.8 1.0
CD A:ARG218 3.7 16.7 1.0
O A:ILE239 3.7 22.6 1.0
CA A:THR238 3.7 18.5 1.0
O B:HOH464 3.8 31.8 1.0
CB A:THR238 3.9 26.3 1.0
C A:THR238 4.0 20.9 1.0
NZ B:LYS232 4.1 21.7 1.0
CA A:ILE239 4.2 20.2 1.0
CZ A:ARG218 4.2 22.4 1.0
CE B:LYS232 4.3 23.6 1.0
CG A:ARG218 4.3 14.6 1.0
CG2 A:THR238 4.4 29.0 1.0
C A:ILE239 4.4 28.6 1.0
CB A:ILE239 4.4 20.4 1.0
NH1 A:ARG218 4.4 18.6 1.0
O A:HOH468 4.5 31.4 1.0
O A:PHE237 4.8 20.6 1.0
CG1 A:ILE239 4.9 21.9 1.0
O A:HOH420 4.9 18.3 1.0

Chlorine binding site 2 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 2 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:26.9
occ:1.00
 O B:HOH565 2.7 37.8 1.0
N B:ILE239 3.1 19.8 1.0
O C:HOH424 3.1 19.5 1.0
NE B:ARG218 3.2 19.0 1.0
O B:ILE239 3.6 20.8 1.0
CA B:THR238 3.6 14.6 1.0
O B:HOH536 3.6 54.4 1.0
CD B:ARG218 3.6 13.6 1.0
CB B:THR238 3.8 20.0 1.0
C B:THR238 3.9 14.6 1.0
O C:HOH459 3.9 34.2 1.0
CA B:ILE239 4.0 16.9 1.0
O B:HOH499 4.1 30.0 1.0
NZ C:LYS232 4.2 21.0 1.0
C B:ILE239 4.2 21.2 1.0
CZ B:ARG218 4.3 20.7 1.0
CB B:ILE239 4.3 17.4 1.0
CE C:LYS232 4.3 19.9 1.0
CG B:ARG218 4.3 13.2 1.0
CG2 B:THR238 4.4 19.8 1.0
NH1 B:ARG218 4.5 15.3 1.0
O B:HOH564 4.7 27.1 1.0
O B:PHE237 4.7 18.7 1.0
CG1 B:ILE239 4.8 16.4 1.0
N B:THR238 4.9 18.7 1.0

Chlorine binding site 3 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 3 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:21.9
occ:1.00
 O C:HOH418 3.2 14.4 1.0
N C:ILE239 3.2 20.9 1.0
NE C:ARG218 3.2 15.0 1.0
CA C:THR238 3.6 16.4 1.0
CD C:ARG218 3.7 15.7 1.0
CB C:THR238 3.8 24.8 1.0
O C:ILE239 3.9 20.1 1.0
C C:THR238 3.9 20.9 1.0
CG2 C:THR238 4.1 27.2 1.0
CE D:LYS232 4.1 44.4 1.0
NZ D:LYS232 4.2 42.6 1.0
CA C:ILE239 4.2 19.6 1.0
CZ C:ARG218 4.3 14.3 1.0
CB C:ILE239 4.3 18.5 1.0
CD D:LYS232 4.3 38.8 1.0
CG C:ARG218 4.4 14.0 1.0
NH1 C:ARG218 4.5 14.9 1.0
C C:ILE239 4.5 24.0 1.0
O C:HOH524 4.7 25.6 1.0
CG1 C:ILE239 4.7 17.4 1.0
O C:PHE237 4.8 18.1 1.0
N C:THR238 4.9 16.2 1.0

Chlorine binding site 4 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 4 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:18.1
occ:1.00
 O D:HOH496 3.0 34.4 1.0
O E:HOH432 3.2 16.0 1.0
N D:ILE239 3.2 12.6 1.0
NE D:ARG218 3.3 12.0 1.0
O D:HOH570 3.4 41.7 1.0
CA D:THR238 3.7 12.3 1.0
O E:HOH453 3.7 26.8 1.0
O D:ILE239 3.8 16.0 1.0
CD D:ARG218 3.8 12.1 1.0
O D:HOH506 3.9 26.4 1.0
CB D:THR238 3.9 16.8 1.0
C D:THR238 4.0 15.9 1.0
CA D:ILE239 4.2 13.2 1.0
NZ E:LYS232 4.2 16.1 1.0
CG2 D:THR238 4.3 20.3 1.0
CZ D:ARG218 4.3 13.2 1.0
CG D:ARG218 4.3 11.2 1.0
C D:ILE239 4.4 15.2 1.0
CE E:LYS232 4.4 18.9 1.0
CB D:ILE239 4.4 15.4 1.0
O D:HOH414 4.5 21.3 1.0
NH1 D:ARG218 4.5 12.4 1.0
O D:PHE237 4.7 13.0 1.0
CG1 D:ILE239 4.9 16.4 1.0
N D:THR238 4.9 12.3 1.0

Chlorine binding site 5 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 5 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:22.3
occ:1.00
 N E:ILE239 3.1 16.3 1.0
NE E:ARG218 3.2 11.0 1.0
O F:HOH475 3.2 20.0 1.0
O E:HOH503 3.2 43.1 1.0
CA E:THR238 3.7 14.7 1.0
CD E:ARG218 3.7 13.3 1.0
O E:ILE239 3.8 20.4 1.0
CB E:THR238 3.8 24.6 1.0
O E:HOH532 3.8 28.0 1.0
C E:THR238 3.9 13.6 1.0
CA E:ILE239 4.1 15.9 1.0
CG2 E:THR238 4.2 28.6 1.0
CZ E:ARG218 4.2 14.8 1.0
NZ F:LYS232 4.2 32.1 1.0
CB E:ILE239 4.3 16.9 1.0
CG E:ARG218 4.4 10.5 1.0
C E:ILE239 4.4 22.3 1.0
NH1 E:ARG218 4.4 12.8 1.0
CE F:LYS232 4.4 31.0 1.0
O E:HOH497 4.6 20.9 1.0
CG1 E:ILE239 4.7 16.3 1.0
O E:PHE237 4.8 17.2 1.0
N E:THR238 5.0 15.2 1.0

Chlorine binding site 6 out of 6 in 4tl9

Go back to Chlorine Binding Sites List in 4tl9
Chlorine binding site 6 out of 6 in the Crystal Structure of N-Terminal C1 Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of N-Terminal C1 Domain of Kaic within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:22.9
occ:1.00
 O F:HOH481 2.7 29.2 1.0
N F:ILE239 3.1 15.5 1.0
NE F:ARG218 3.1 15.1 1.0
O A:HOH423 3.2 23.6 1.0
O F:ILE239 3.7 19.5 1.0
CA F:THR238 3.7 15.7 1.0
O A:HOH513 3.7 36.5 1.0
CD F:ARG218 3.7 13.8 1.0
C F:THR238 3.9 15.8 1.0
CB F:THR238 3.9 23.5 1.0
NZ A:LYS232 3.9 22.8 1.0
CA F:ILE239 4.0 14.6 1.0
O F:HOH477 4.1 27.0 1.0
CE A:LYS232 4.1 16.0 1.0
CZ F:ARG218 4.2 15.3 1.0
CB F:ILE239 4.2 15.2 1.0
C F:ILE239 4.3 21.4 1.0
NH2 F:ARG218 4.3 13.7 1.0
CG F:ARG218 4.4 14.7 1.0
CG2 F:THR238 4.5 24.3 1.0
O F:HOH440 4.7 19.1 1.0
CG1 F:ILE239 4.7 15.0 1.0
O F:PHE237 4.8 13.9 1.0
CG A:LYS232 5.0 22.0 1.0
O F:HOH428 5.0 16.6 1.0
N F:THR238 5.0 15.6 1.0

Reference:

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
Page generated: Fri Jul 26 01:44:39 2024

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