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Chlorine in PDB 4tle: 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: 4tle 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) 42.60 / 1.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.927, 133.322, 151.057, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22.9

Other elements in 4tle:

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

Chlorine binding site 1 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:34.5
occ:1.00
 NE A:ARG218 3.0 28.1 1.0
O B:HOH444 3.1 37.7 1.0
N A:ILE239 3.3 27.9 1.0
CD A:ARG218 3.5 24.6 1.0
O A:HOH459 3.6 41.6 1.0
CA A:THR238 3.7 27.6 1.0
O A:HOH439 3.7 56.6 1.0
O A:ILE239 3.8 31.6 1.0
CB A:THR238 3.9 35.5 1.0
C A:THR238 4.0 29.3 1.0
NZ B:LYS232 4.0 34.0 1.0
CZ A:ARG218 4.1 28.9 1.0
CG A:ARG218 4.2 25.8 1.0
CE B:LYS232 4.2 37.6 1.0
CA A:ILE239 4.2 29.0 1.0
NH1 A:ARG218 4.4 27.9 1.0
CB A:ILE239 4.4 30.8 1.0
C A:ILE239 4.5 39.0 1.0
CG2 A:THR238 4.5 38.0 1.0
O A:PHE237 4.8 26.5 1.0
CG1 A:ILE239 4.8 31.0 1.0
O A:HOH412 4.9 26.5 1.0
CG B:LYS232 5.0 32.0 1.0

Chlorine binding site 2 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:32.2
occ:1.00
 O C:HOH439 3.0 30.6 1.0
NE B:ARG218 3.1 22.0 1.0
N B:ILE239 3.1 24.1 1.0
O C:HOH455 3.4 37.2 1.0
CD B:ARG218 3.7 24.2 1.0
CA B:THR238 3.7 25.1 1.0
O B:ILE239 3.7 28.6 1.0
CB B:THR238 3.9 30.5 1.0
C B:THR238 3.9 29.1 1.0
O B:HOH479 4.0 38.5 1.0
CA B:ILE239 4.1 21.8 1.0
NZ C:LYS232 4.2 25.6 1.0
CZ B:ARG218 4.2 27.0 1.0
CE C:LYS232 4.3 22.5 1.0
C B:ILE239 4.3 29.6 1.0
CB B:ILE239 4.3 22.6 1.0
CG2 B:THR238 4.3 30.3 1.0
CG B:ARG218 4.4 25.9 1.0
NH1 B:ARG218 4.4 22.8 1.0
O B:HOH460 4.7 41.4 1.0
CG1 B:ILE239 4.8 22.4 1.0
O B:PHE237 4.8 30.7 1.0
N B:THR238 5.0 26.8 1.0

Chlorine binding site 3 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:28.4
occ:1.00
 O C:HOH425 3.1 24.7 1.0
NE C:ARG218 3.2 22.6 1.0
N C:ILE239 3.3 30.8 1.0
CE D:LYS232 3.4 39.3 0.6
CD C:ARG218 3.7 26.4 1.0
CA C:THR238 3.7 25.3 1.0
CB C:THR238 3.7 34.9 1.0
O C:ILE239 3.9 27.8 1.0
CG2 C:THR238 4.0 37.5 1.0
C C:THR238 4.0 28.4 1.0
CD D:LYS232 4.1 31.6 0.6
NZ D:LYS232 4.2 38.0 0.6
CZ C:ARG218 4.3 20.1 1.0
CA C:ILE239 4.3 25.4 1.0
CE D:LYS232 4.3 23.5 0.4
CG C:ARG218 4.4 26.4 1.0
CB C:ILE239 4.4 27.9 1.0
NH1 C:ARG218 4.5 23.5 1.0
C C:ILE239 4.6 26.8 1.0
NZ D:LYS232 4.6 17.8 0.4
CG1 C:ILE239 4.8 21.9 1.0
O C:HOH441 4.8 37.2 1.0
O C:PHE237 4.9 26.0 1.0

Chlorine binding site 4 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:22.8
occ:1.00
 N D:ILE239 3.1 19.5 1.0
NE D:ARG218 3.2 19.7 1.0
O D:HOH435 3.2 25.0 1.0
O D:HOH506 3.3 46.5 1.0
CA D:THR238 3.7 19.5 1.0
CD D:ARG218 3.7 22.4 1.0
O D:ILE239 3.7 22.4 1.0
O E:HOH435 3.8 37.2 1.0
CB D:THR238 3.9 26.0 1.0
C D:THR238 3.9 22.8 1.0
O D:HOH462 4.1 34.5 1.0
CA D:ILE239 4.1 26.4 1.0
NZ E:LYS232 4.3 23.5 1.0
CG D:ARG218 4.3 16.2 1.0
CZ D:ARG218 4.3 20.9 1.0
CE E:LYS232 4.3 26.9 1.0
CG2 D:THR238 4.3 28.5 1.0
CB D:ILE239 4.3 22.2 1.0
C D:ILE239 4.3 25.0 1.0
NH1 D:ARG218 4.5 20.3 1.0
O D:HOH409 4.6 25.9 1.0
O D:PHE237 4.7 19.2 1.0
N D:THR238 4.9 20.1 1.0
O D:HOH423 4.9 54.3 1.0
CG1 D:ILE239 4.9 20.3 1.0

Chlorine binding site 5 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:27.3
occ:1.00
 NE E:ARG218 3.0 17.3 1.0
N E:ILE239 3.2 23.1 1.0
O E:HOH476 3.2 24.8 1.0
O E:HOH477 3.6 33.4 1.0
CD E:ARG218 3.6 19.6 1.0
CA E:THR238 3.6 20.6 1.0
CB E:THR238 3.8 34.7 1.0
O E:ILE239 3.9 26.9 1.0
C E:THR238 3.9 20.8 1.0
O E:HOH458 4.0 55.3 1.0
CZ E:ARG218 4.1 22.9 1.0
CA E:ILE239 4.2 23.3 1.0
NH1 E:ARG218 4.3 20.3 1.0
NZ F:LYS232 4.3 37.3 1.0
CG2 E:THR238 4.3 37.3 1.0
CG E:ARG218 4.3 20.6 1.0
O E:HOH436 4.4 35.6 1.0
CE F:LYS232 4.4 41.5 1.0
CB E:ILE239 4.4 22.7 1.0
C E:ILE239 4.5 32.2 1.0
O E:PHE237 4.7 25.8 1.0
CG1 E:ILE239 4.8 22.6 1.0
N E:THR238 4.9 21.6 1.0
O E:HOH414 5.0 23.4 1.0

Chlorine binding site 6 out of 6 in 4tle

Go back to Chlorine Binding Sites List in 4tle
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:28.2
occ:1.00
 O A:HOH415 3.1 27.1 1.0
NE F:ARG218 3.2 20.7 1.0
N F:ILE239 3.2 24.4 1.0
CD F:ARG218 3.7 23.1 1.0
O F:ILE239 3.7 25.6 1.0
CA F:THR238 3.7 21.5 1.0
O A:HOH427 3.7 44.4 1.0
O F:HOH474 3.8 57.2 1.0
O F:HOH481 3.9 35.7 1.0
NZ A:LYS232 3.9 28.9 1.0
CB F:THR238 3.9 28.3 1.0
C F:THR238 4.0 24.2 1.0
CA F:ILE239 4.1 23.3 1.0
CZ F:ARG218 4.2 22.1 1.0
CE A:LYS232 4.2 27.5 1.0
CB F:ILE239 4.3 19.2 1.0
C F:ILE239 4.4 30.9 1.0
CG F:ARG218 4.4 19.7 1.0
NH2 F:ARG218 4.4 23.2 1.0
CG2 F:THR238 4.5 35.6 1.0
O F:HOH480 4.7 28.9 1.0
CG1 F:ILE239 4.8 23.3 1.0
O F:PHE237 4.9 20.3 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. 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 01:46:08 2024

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