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Chlorine in PDB 4tla: 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: 4tla 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) 38.88 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.785, 133.593, 153.977, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.7

Other elements in 4tla:

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 4tla). 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: 4tla:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:34.6
occ:1.00
 O A:HOH412 3.1 31.4 1.0
NE A:ARG218 3.2 26.3 1.0
N A:ILE239 3.2 30.1 1.0
O A:HOH455 3.4 54.4 1.0
O A:HOH428 3.5 42.2 1.0
O B:HOH455 3.7 38.2 1.0
O A:ILE239 3.7 35.3 1.0
CD A:ARG218 3.7 25.7 1.0
CA A:THR238 3.7 32.5 1.0
CB A:THR238 4.0 37.4 1.0
C A:THR238 4.0 31.5 1.0
NZ B:LYS232 4.1 30.7 1.0
CA A:ILE239 4.2 28.7 1.0
CE B:LYS232 4.2 30.3 1.0
CZ A:ARG218 4.3 35.5 1.0
C A:ILE239 4.4 34.5 1.0
CB A:ILE239 4.4 30.3 1.0
CG A:ARG218 4.4 25.2 1.0
CG2 A:THR238 4.4 34.1 1.0
O A:HOH426 4.5 45.6 1.0
NH1 A:ARG218 4.5 27.4 1.0
O A:PHE237 4.8 30.8 1.0
CG1 A:ILE239 4.9 31.5 1.0
O A:HOH413 4.9 31.0 1.0

Chlorine binding site 2 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:33.2
occ:1.00
 O B:HOH515 2.7 49.4 1.0
N B:ILE239 3.2 25.6 1.0
NE B:ARG218 3.2 28.9 1.0
O C:HOH422 3.3 29.9 1.0
O C:HOH404 3.5 44.3 1.0
O B:HOH410 3.6 57.9 1.0
O B:ILE239 3.7 28.1 1.0
CA B:THR238 3.7 26.6 1.0
CD B:ARG218 3.8 25.2 1.0
O B:HOH454 3.8 40.3 1.0
CB B:THR238 3.9 32.8 1.0
C B:THR238 4.0 26.2 1.0
NZ C:LYS232 4.1 33.4 1.0
CA B:ILE239 4.2 24.4 1.0
CZ B:ARG218 4.3 28.7 1.0
CG2 B:THR238 4.3 30.4 1.0
C B:ILE239 4.3 27.1 1.0
CG B:ARG218 4.3 25.2 1.0
CE C:LYS232 4.4 33.8 1.0
CB B:ILE239 4.4 28.6 1.0
NH1 B:ARG218 4.4 27.0 1.0
O B:HOH516 4.5 38.9 1.0
O B:PHE237 4.8 28.4 1.0
CG1 B:ILE239 4.9 26.1 1.0
N B:THR238 5.0 26.2 1.0

Chlorine binding site 3 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:30.7
occ:1.00
 O C:HOH512 3.1 41.8 1.0
N C:ILE239 3.1 28.3 1.0
O C:HOH421 3.2 27.5 1.0
NE C:ARG218 3.2 25.0 1.0
CE D:LYS232 3.7 55.0 1.0
CA C:THR238 3.7 31.1 1.0
CD C:ARG218 3.8 24.1 1.0
CB C:THR238 3.8 37.0 1.0
O C:ILE239 3.8 28.7 1.0
C C:THR238 3.9 30.6 1.0
CD D:LYS232 4.0 47.6 1.0
CA C:ILE239 4.1 30.0 1.0
CB C:ILE239 4.2 32.1 1.0
CG2 C:THR238 4.2 39.5 1.0
CZ C:ARG218 4.3 28.6 1.0
NZ D:LYS232 4.4 56.3 1.0
C C:ILE239 4.4 30.0 1.0
O C:HOH507 4.4 43.3 1.0
CG C:ARG218 4.5 23.4 1.0
NH1 C:ARG218 4.5 27.9 1.0
CG1 C:ILE239 4.6 28.4 1.0
O D:HOH486 4.7 53.9 1.0
O C:HOH425 4.9 36.5 1.0
O C:PHE237 5.0 27.8 1.0

Chlorine binding site 4 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:27.2
occ:1.00
 O D:HOH540 2.9 44.4 1.0
NE D:ARG218 3.2 19.5 1.0
O E:HOH425 3.3 28.4 1.0
N D:ILE239 3.3 23.3 1.0
O D:HOH480 3.3 41.9 1.0
O E:HOH449 3.5 40.0 1.0
CD D:ARG218 3.7 20.9 1.0
O D:ILE239 3.7 25.0 1.0
CA D:THR238 3.8 20.4 1.0
O D:HOH497 4.0 36.1 1.0
CB D:THR238 4.0 26.2 1.0
C D:THR238 4.0 21.3 1.0
NZ E:LYS232 4.2 28.3 1.0
CA D:ILE239 4.2 26.0 1.0
CE E:LYS232 4.3 27.7 1.0
CZ D:ARG218 4.3 21.7 1.0
CG D:ARG218 4.4 21.4 1.0
CG2 D:THR238 4.4 29.8 1.0
C D:ILE239 4.4 24.0 1.0
CB D:ILE239 4.4 23.6 1.0
NH1 D:ARG218 4.5 22.8 1.0
O D:HOH415 4.6 33.1 1.0
O D:PHE237 4.7 22.9 1.0
CG1 D:ILE239 4.9 25.0 1.0

Chlorine binding site 5 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:30.3
occ:1.00
 O E:HOH494 2.9 33.9 1.0
N E:ILE239 3.1 24.0 1.0
NE E:ARG218 3.3 22.5 1.0
O E:HOH434 3.3 26.4 1.0
CA E:THR238 3.7 26.1 1.0
O E:ILE239 3.7 25.1 1.0
CE F:LYS232 3.7 35.1 1.0
CD E:ARG218 3.7 22.6 1.0
C E:THR238 3.8 25.8 1.0
CB E:THR238 3.9 29.4 1.0
CA E:ILE239 4.0 20.2 1.0
CD F:LYS232 4.2 30.4 1.0
CB E:ILE239 4.2 22.1 1.0
O E:HOH495 4.2 35.1 1.0
C E:ILE239 4.3 28.5 1.0
CZ E:ARG218 4.3 26.0 1.0
NZ F:LYS232 4.4 34.0 1.0
CG2 E:THR238 4.4 32.9 1.0
CG E:ARG218 4.5 19.3 1.0
NH1 E:ARG218 4.5 21.6 1.0
CG1 E:ILE239 4.6 24.6 1.0
O E:HOH428 4.7 26.7 1.0
O E:PHE237 4.9 23.8 1.0
O F:HOH506 4.9 44.5 1.0

Chlorine binding site 6 out of 6 in 4tla

Go back to Chlorine Binding Sites List in 4tla
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:Cl303

b:29.6
occ:1.00
 O F:HOH474 2.7 45.6 1.0
O A:HOH406 3.1 30.7 1.0
N F:ILE239 3.2 25.2 1.0
NE F:ARG218 3.2 26.0 1.0
CA F:THR238 3.7 24.4 1.0
CD F:ARG218 3.7 25.5 1.0
O F:ILE239 3.8 30.5 1.0
C F:THR238 4.0 24.7 1.0
O F:HOH540 4.0 35.9 1.0
NZ A:LYS232 4.0 37.7 1.0
CB F:THR238 4.0 31.1 1.0
CA F:ILE239 4.1 24.6 1.0
CZ F:ARG218 4.2 25.3 1.0
CB F:ILE239 4.3 22.8 1.0
CE A:LYS232 4.3 34.9 1.0
C F:ILE239 4.4 30.5 1.0
CG2 F:THR238 4.4 30.8 1.0
CG F:ARG218 4.4 24.8 1.0
NH2 F:ARG218 4.4 25.5 1.0
O F:HOH452 4.5 30.5 1.0
O F:HOH541 4.5 52.0 1.0
O F:PHE237 4.8 23.8 1.0
CG1 F:ILE239 4.8 25.6 1.0
N F:THR238 5.0 25.2 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 01:44:42 2024

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