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Chlorine in PDB 4tld: 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: 4tld 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) 37.53 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.930, 132.975, 149.940, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.8

Other elements in 4tld:

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

Chlorine binding site 1 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:29.3
occ:1.00
 O B:HOH435 3.2 23.9 1.0
NE A:ARG218 3.2 24.8 1.0
N A:ILE239 3.2 25.5 1.0
O A:HOH446 3.4 35.1 1.0
O B:HOH480 3.6 39.1 1.0
CA A:THR238 3.6 26.9 1.0
CD A:ARG218 3.7 23.0 1.0
O A:ILE239 3.8 26.8 1.0
CB A:THR238 3.8 32.3 1.0
C A:THR238 3.9 26.0 1.0
NZ B:LYS232 4.0 27.8 1.0
CA A:ILE239 4.2 26.5 1.0
CG2 A:THR238 4.2 32.0 1.0
CZ A:ARG218 4.2 25.4 1.0
CE B:LYS232 4.3 30.5 1.0
CG A:ARG218 4.3 23.7 1.0
O A:HOH452 4.3 37.5 1.0
CB A:ILE239 4.4 28.3 1.0
C A:ILE239 4.4 31.2 1.0
NH1 A:ARG218 4.4 23.4 1.0
O A:PHE237 4.7 24.0 1.0
CG1 A:ILE239 4.9 27.0 1.0
N A:THR238 4.9 26.7 1.0

Chlorine binding site 2 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:28.4
occ:1.00
 N B:ILE239 3.1 18.1 1.0
O B:HOH434 3.2 25.3 1.0
NE B:ARG218 3.2 22.1 1.0
CA B:THR238 3.6 25.0 1.0
CD B:ARG218 3.6 20.4 1.0
O C:HOH484 3.7 43.0 1.0
CB B:THR238 3.8 29.1 1.0
O B:ILE239 3.9 26.0 1.0
C B:THR238 3.9 25.1 1.0
O B:HOH471 4.0 34.5 1.0
CA B:ILE239 4.1 17.5 1.0
CB B:ILE239 4.2 18.3 1.0
CZ B:ARG218 4.3 27.4 1.0
NZ C:LYS232 4.3 29.6 1.0
CE C:LYS232 4.3 27.4 1.0
CG B:ARG218 4.4 19.1 1.0
O B:HOH524 4.4 40.8 1.0
CG2 B:THR238 4.4 24.5 1.0
C B:ILE239 4.4 25.9 1.0
NH2 B:ARG218 4.5 20.5 1.0
O B:PHE237 4.6 23.2 1.0
CG1 B:ILE239 4.7 20.3 1.0
N B:THR238 4.9 24.3 1.0

Chlorine binding site 3 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:27.3
occ:1.00
 O C:HOH431 3.1 18.8 1.0
NE C:ARG218 3.2 21.1 1.0
N C:ILE239 3.3 28.7 1.0
CA C:THR238 3.6 24.6 1.0
CB C:THR238 3.6 34.9 1.0
O C:HOH472 3.6 43.3 1.0
CD C:ARG218 3.7 23.2 1.0
O D:HOH546 3.7 51.5 1.0
CG2 C:THR238 3.9 33.5 1.0
O C:ILE239 3.9 25.3 1.0
C C:THR238 4.0 29.7 1.0
CA C:ILE239 4.3 24.2 1.0
CZ C:ARG218 4.3 22.9 1.0
O C:HOH543 4.3 54.2 1.0
CG C:ARG218 4.4 21.0 1.0
CE D:LYS232 4.4 39.6 1.0
CB C:ILE239 4.4 22.8 1.0
NZ D:LYS232 4.5 37.4 1.0
O C:HOH452 4.5 34.5 1.0
NH2 C:ARG218 4.5 20.8 1.0
C C:ILE239 4.6 27.6 1.0
O C:PHE237 4.7 23.3 1.0
CG1 C:ILE239 4.8 20.9 1.0
N C:THR238 4.9 22.6 1.0
OG1 C:THR238 5.0 37.1 1.0

Chlorine binding site 4 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:23.3
occ:1.00
 O D:HOH505 2.8 41.0 1.0
N D:ILE239 3.2 18.2 1.0
NE D:ARG218 3.2 18.5 1.0
O D:HOH445 3.3 21.1 1.0
O E:HOH463 3.6 33.0 1.0
O D:HOH485 3.6 46.4 1.0
CA D:THR238 3.7 17.8 1.0
CD D:ARG218 3.7 16.6 1.0
O D:ILE239 3.7 20.9 1.0
O D:HOH527 3.8 34.9 1.0
CB D:THR238 3.8 22.2 1.0
C D:THR238 4.0 22.6 1.0
CA D:ILE239 4.2 22.4 1.0
NZ E:LYS232 4.2 21.9 1.0
CG D:ARG218 4.3 14.6 1.0
CZ D:ARG218 4.3 16.3 1.0
CG2 D:THR238 4.3 22.2 1.0
CB D:ILE239 4.4 19.4 1.0
C D:ILE239 4.4 20.3 1.0
CE E:LYS232 4.4 24.7 1.0
O D:HOH408 4.5 24.6 1.0
NH1 D:ARG218 4.5 18.1 1.0
O D:PHE237 4.7 15.8 1.0
CG1 D:ILE239 4.9 21.6 1.0
N D:THR238 4.9 19.5 1.0

Chlorine binding site 5 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:25.3
occ:1.00
 NE E:ARG218 3.2 17.2 1.0
O F:HOH451 3.2 22.7 1.0
N E:ILE239 3.2 21.8 1.0
O E:HOH448 3.5 31.4 1.0
O E:HOH483 3.6 45.1 1.0
CA E:THR238 3.6 18.6 1.0
O F:HOH526 3.7 57.1 1.0
CD E:ARG218 3.7 18.2 1.0
O E:ILE239 3.8 22.1 1.0
CB E:THR238 3.8 28.2 1.0
C E:THR238 3.9 19.7 1.0
CA E:ILE239 4.2 16.6 1.0
CZ E:ARG218 4.2 19.0 1.0
O E:HOH468 4.2 31.0 1.0
CG2 E:THR238 4.3 32.4 1.0
NZ F:LYS232 4.3 38.1 1.0
CB E:ILE239 4.4 21.1 1.0
NH2 E:ARG218 4.4 20.6 1.0
CG E:ARG218 4.4 16.9 1.0
C E:ILE239 4.4 22.6 1.0
CE F:LYS232 4.5 32.6 1.0
O E:HOH500 4.7 44.6 1.0
O E:PHE237 4.7 23.7 1.0
CG1 E:ILE239 4.8 19.4 1.0
N E:THR238 4.9 18.4 1.0
O E:HOH423 5.0 16.9 1.0

Chlorine binding site 6 out of 6 in 4tld

Go back to Chlorine Binding Sites List in 4tld
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:24.4
occ:1.00
 NE F:ARG218 3.1 21.1 1.0
N F:ILE239 3.2 20.6 1.0
O A:HOH428 3.2 28.9 1.0
O F:HOH509 3.4 51.6 1.0
O F:HOH485 3.6 36.5 1.0
CD F:ARG218 3.7 23.3 1.0
CA F:THR238 3.7 22.9 1.0
O A:HOH431 3.7 34.5 1.0
O F:ILE239 3.8 24.3 1.0
CB F:THR238 3.9 26.3 1.0
C F:THR238 3.9 21.0 1.0
NZ A:LYS232 3.9 25.6 1.0
CA F:ILE239 4.1 20.0 1.0
CE A:LYS232 4.2 25.3 1.0
CZ F:ARG218 4.2 21.9 1.0
CB F:ILE239 4.3 18.9 1.0
CG F:ARG218 4.4 20.6 1.0
C F:ILE239 4.4 28.3 1.0
NH2 F:ARG218 4.4 19.3 1.0
CG2 F:THR238 4.4 29.5 1.0
O F:HOH473 4.5 29.8 1.0
O F:PHE237 4.8 18.6 1.0
CG1 F:ILE239 4.8 20.5 1.0
N F:THR238 5.0 20.7 1.0
O F:HOH446 5.0 20.4 1.0
CG A:LYS232 5.0 26.5 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 01:45:43 2024

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