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Chlorine in PDB 4tl7: 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: 4tl7 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) 45.85 / 1.94
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.165, 108.165, 224.880, 90.00, 90.00, 120.00
R / Rfree (%) 15 / 19.1

Other elements in 4tl7:

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 4tl7). 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: 4tl7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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:31.6
occ:1.00
 O B:HOH426 3.3 20.4 1.0
OG1 A:THR238 3.3 26.2 0.4
NE A:ARG218 3.3 18.2 1.0
N A:ILE239 3.5 21.8 1.0
O A:HOH403 3.6 38.3 1.0
CD A:ARG218 3.8 17.6 1.0
CA A:THR238 3.9 22.7 0.4
O A:HOH460 3.9 31.8 1.0
CA A:THR238 4.0 23.4 0.6
O A:ILE239 4.0 28.5 1.0
CB A:THR238 4.0 25.6 0.4
CB A:THR238 4.2 26.5 0.6
NZ B:LYS232 4.2 25.9 1.0
C A:THR238 4.3 27.2 1.0
CZ A:ARG218 4.4 23.4 1.0
O A:HOH465 4.4 35.6 1.0
CG A:ARG218 4.5 18.1 1.0
CA A:ILE239 4.5 20.2 1.0
NH1 A:ARG218 4.6 16.2 1.0
CB A:ILE239 4.6 24.2 1.0
CE B:LYS232 4.6 27.0 1.0
C A:ILE239 4.7 27.5 1.0
CG2 A:THR238 4.7 24.5 0.6
O A:PHE237 4.9 19.5 1.0

Chlorine binding site 2 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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
 OG1 B:THR238 3.3 27.2 0.3
NE B:ARG218 3.3 20.1 1.0
O C:HOH421 3.4 24.6 1.0
N B:ILE239 3.4 21.2 1.0
O B:HOH405 3.7 37.9 1.0
CD B:ARG218 3.8 20.1 1.0
O B:HOH511 3.9 32.9 1.0
CA B:THR238 3.9 21.6 0.3
CA B:THR238 3.9 21.3 0.7
O B:ILE239 3.9 26.3 1.0
CB B:THR238 4.1 27.1 0.3
CB B:THR238 4.1 26.6 0.7
C B:THR238 4.2 23.5 1.0
NZ C:LYS232 4.2 26.3 1.0
CA B:ILE239 4.4 21.1 1.0
CG B:ARG218 4.4 20.2 1.0
CZ B:ARG218 4.4 22.3 1.0
O B:HOH408 4.4 32.2 1.0
CG2 B:THR238 4.6 21.2 0.7
C B:ILE239 4.6 29.5 1.0
CB B:ILE239 4.6 25.7 1.0
NH1 B:ARG218 4.6 20.1 1.0
CE C:LYS232 4.7 26.7 1.0
O B:PHE237 4.8 17.4 1.0

Chlorine binding site 3 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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:34.2
occ:1.00
 OG1 C:THR238 3.1 28.1 0.4
O D:HOH434 3.3 21.9 1.0
NE C:ARG218 3.4 19.4 1.0
O D:HOH402 3.5 51.7 1.0
O C:HOH402 3.5 44.9 1.0
N C:ILE239 3.5 23.0 1.0
CD C:ARG218 3.8 14.8 1.0
O C:HOH465 3.8 31.8 1.0
CA C:THR238 3.9 22.8 0.4
CA C:THR238 3.9 19.2 0.6
O C:ILE239 4.0 27.9 1.0
CB C:THR238 4.1 28.6 0.4
CB C:THR238 4.1 34.5 0.6
C C:THR238 4.2 24.3 1.0
NZ D:LYS232 4.3 31.9 1.0
O C:HOH437 4.4 31.4 1.0
CG C:ARG218 4.4 14.4 1.0
CG2 C:THR238 4.4 30.0 0.6
CZ C:ARG218 4.5 18.6 1.0
CA C:ILE239 4.5 22.2 1.0
CE D:LYS232 4.6 24.2 1.0
NH1 C:ARG218 4.6 16.1 1.0
CB C:ILE239 4.7 22.5 1.0
C C:ILE239 4.7 27.9 1.0
O C:PHE237 4.8 17.8 1.0

Chlorine binding site 4 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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:31.8
occ:1.00
 OG1 D:THR238 3.1 28.1 0.3
O E:HOH424 3.2 22.8 1.0
NE D:ARG218 3.3 20.6 1.0
N D:ILE239 3.4 20.2 1.0
O D:HOH484 3.4 37.5 1.0
CD D:ARG218 3.7 20.7 1.0
CA D:THR238 3.8 15.9 0.3
CA D:THR238 3.8 21.1 0.7
O D:ILE239 3.9 23.9 1.0
CB D:THR238 4.0 28.4 0.3
O D:HOH448 4.0 29.1 1.0
CB D:THR238 4.1 29.6 0.7
C D:THR238 4.1 21.3 1.0
NZ E:LYS232 4.3 28.0 1.0
CA D:ILE239 4.4 20.9 1.0
CZ D:ARG218 4.4 20.9 1.0
CG D:ARG218 4.4 17.4 1.0
O D:HOH455 4.5 36.0 1.0
CG2 D:THR238 4.5 26.1 0.7
C D:ILE239 4.5 27.1 1.0
CB D:ILE239 4.5 23.0 1.0
CE E:LYS232 4.6 26.1 1.0
NH1 D:ARG218 4.7 16.6 1.0
O D:PHE237 4.8 18.0 1.0

Chlorine binding site 5 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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:31.9
occ:1.00
 O F:HOH406 3.3 21.1 1.0
NE E:ARG218 3.4 19.7 1.0
N E:ILE239 3.4 22.2 1.0
O E:HOH405 3.8 37.2 1.0
CD E:ARG218 3.8 16.1 1.0
O E:ILE239 3.9 27.5 1.0
CA E:THR238 3.9 21.1 1.0
O E:HOH455 3.9 33.6 1.0
CB E:THR238 4.2 30.7 1.0
NZ F:LYS232 4.2 30.3 1.0
C E:THR238 4.2 26.6 1.0
CA E:ILE239 4.3 19.4 1.0
CG E:ARG218 4.4 15.6 1.0
O E:HOH409 4.4 30.8 1.0
CZ E:ARG218 4.4 19.4 1.0
C E:ILE239 4.5 24.1 1.0
CB E:ILE239 4.5 19.4 1.0
CG2 E:THR238 4.5 32.6 1.0
CE F:LYS232 4.6 26.4 1.0
NH1 E:ARG218 4.6 19.7 1.0
O E:PHE237 4.8 18.5 1.0

Chlorine binding site 6 out of 6 in 4tl7

Go back to Chlorine Binding Sites List in 4tl7
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:36.9
occ:1.00
 O A:HOH428 3.2 24.0 1.0
NE F:ARG218 3.3 22.6 1.0
O F:HOH401 3.5 41.6 1.0
N F:ILE239 3.5 20.7 1.0
CD F:ARG218 3.8 19.7 1.0
O F:HOH447 3.8 32.3 1.0
CA F:THR238 3.9 26.0 1.0
O F:ILE239 4.0 28.3 1.0
CB F:THR238 4.1 32.3 1.0
NZ A:LYS232 4.1 30.5 1.0
C F:THR238 4.3 27.2 1.0
O F:HOH502 4.3 36.2 1.0
CZ F:ARG218 4.4 22.1 1.0
CG F:ARG218 4.4 22.1 1.0
CE A:LYS232 4.4 28.9 1.0
CG2 F:THR238 4.5 30.7 1.0
CA F:ILE239 4.5 20.8 1.0
NH2 F:ARG218 4.6 21.4 1.0
CB F:ILE239 4.6 24.2 1.0
C F:ILE239 4.7 29.4 1.0
O F:PHE237 4.9 21.0 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 01:44:38 2024

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