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Chlorine in PDB 4tl8: 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: 4tl8 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) 37.59 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.934, 133.215, 150.706, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.2

Other elements in 4tl8:

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 4tl8). 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: 4tl8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:25.1
occ:1.00
 NE A:ARG218 3.2 19.5 1.0
O B:HOH441 3.2 21.8 1.0
N A:ILE239 3.3 21.8 1.0
O A:HOH462 3.4 31.6 1.0
O B:HOH462 3.6 28.6 1.0
CD A:ARG218 3.7 19.2 1.0
CA A:THR238 3.7 24.1 1.0
O A:ILE239 3.8 24.6 1.0
CB A:THR238 3.8 28.3 1.0
C A:THR238 4.0 23.3 1.0
NZ B:LYS232 4.2 25.9 1.0
O A:HOH460 4.3 39.1 1.0
CA A:ILE239 4.3 22.0 1.0
CE B:LYS232 4.3 25.1 1.0
CZ A:ARG218 4.3 19.8 1.0
CG A:ARG218 4.3 17.3 1.0
CG2 A:THR238 4.3 33.2 1.0
C A:ILE239 4.4 29.2 1.0
CB A:ILE239 4.5 23.5 1.0
NH1 A:ARG218 4.5 18.0 1.0
O A:PHE237 4.8 20.0 1.0
CG1 A:ILE239 4.9 27.7 1.0
O A:HOH417 5.0 19.5 1.0
N A:THR238 5.0 23.7 1.0

Chlorine binding site 2 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:24.3
occ:1.00
 O B:HOH533 2.8 49.9 1.0
O B:HOH439 3.2 18.2 1.0
NE B:ARG218 3.2 20.2 1.0
N B:ILE239 3.2 19.1 1.0
O B:HOH513 3.3 49.7 1.0
O C:HOH516 3.6 40.6 1.0
CA B:THR238 3.6 16.5 1.0
CD B:ARG218 3.7 15.1 1.0
O B:ILE239 3.7 20.2 1.0
O B:HOH557 3.8 33.4 1.0
CB B:THR238 3.8 24.2 1.0
C B:THR238 4.0 16.8 1.0
CA B:ILE239 4.2 16.8 1.0
CZ B:ARG218 4.3 20.6 1.0
NZ C:LYS232 4.3 24.4 1.0
CG B:ARG218 4.3 14.8 1.0
CB B:ILE239 4.3 16.4 1.0
C B:ILE239 4.3 18.8 1.0
CE C:LYS232 4.4 23.9 1.0
CG2 B:THR238 4.4 22.9 1.0
O B:HOH478 4.4 34.1 1.0
NH1 B:ARG218 4.5 18.2 1.0
O B:PHE237 4.7 18.7 1.0
CG1 B:ILE239 4.8 16.8 1.0
N B:THR238 4.9 18.9 1.0

Chlorine binding site 3 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:20.9
occ:1.00
 O C:HOH560 3.2 39.1 1.0
O C:HOH562 3.2 15.4 1.0
NE C:ARG218 3.2 15.2 1.0
N C:ILE239 3.3 22.1 1.0
CA C:THR238 3.6 14.9 1.0
CB C:THR238 3.7 28.5 1.0
O C:HOH534 3.7 37.8 1.0
CD C:ARG218 3.7 15.8 1.0
CE D:LYS232 3.8 43.8 1.0
NZ D:LYS232 3.9 43.1 1.0
O C:HOH578 3.9 40.2 1.0
O C:ILE239 3.9 20.0 1.0
C C:THR238 4.0 19.1 1.0
CG2 C:THR238 4.1 30.1 1.0
CA C:ILE239 4.3 17.4 1.0
CZ C:ARG218 4.3 14.5 1.0
CB C:ILE239 4.4 17.2 1.0
CG C:ARG218 4.4 13.0 1.0
C C:ILE239 4.5 23.5 1.0
NH1 C:ARG218 4.6 14.8 1.0
O C:HOH559 4.6 27.6 1.0
CD D:LYS232 4.7 40.4 1.0
CG1 C:ILE239 4.8 16.8 1.0
O C:PHE237 4.8 17.0 1.0
N C:THR238 4.9 16.6 1.0
OG1 C:THR238 5.0 29.1 1.0

Chlorine binding site 4 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:17.0
occ:1.00
 O D:HOH549 3.2 34.9 1.0
N D:ILE239 3.2 14.6 1.0
O E:HOH425 3.2 15.6 1.0
NE D:ARG218 3.3 13.4 1.0
O D:HOH527 3.4 42.3 1.0
O E:HOH442 3.5 32.4 1.0
CA D:THR238 3.7 14.3 1.0
CD D:ARG218 3.7 13.5 1.0
O D:ILE239 3.7 17.5 1.0
O D:HOH548 3.7 28.1 1.0
CB D:THR238 3.9 17.7 1.0
C D:THR238 4.0 14.9 1.0
CA D:ILE239 4.2 15.0 1.0
NZ E:LYS232 4.2 15.7 1.0
CG2 D:THR238 4.3 23.3 1.0
CE E:LYS232 4.3 18.0 1.0
CG D:ARG218 4.3 12.9 1.0
CZ D:ARG218 4.3 14.2 1.0
CB D:ILE239 4.4 14.9 1.0
C D:ILE239 4.4 16.6 1.0
O D:HOH530 4.5 21.3 1.0
NH1 D:ARG218 4.5 13.6 1.0
O D:HOH577 4.6 66.7 1.0
O D:PHE237 4.7 13.5 1.0
O D:HOH433 4.7 49.9 1.0
CG1 D:ILE239 4.8 15.2 1.0
N D:THR238 4.9 14.2 1.0

Chlorine binding site 5 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:22.6
occ:1.00
 N E:ILE239 3.1 16.0 1.0
NE E:ARG218 3.2 11.9 1.0
O F:HOH481 3.2 19.1 1.0
O F:HOH475 3.5 56.0 1.0
CA E:THR238 3.6 13.7 1.0
O E:HOH528 3.6 27.6 1.0
CD E:ARG218 3.7 12.4 1.0
CB E:THR238 3.8 25.6 1.0
O E:ILE239 3.8 19.7 1.0
C E:THR238 3.9 12.4 1.0
O E:HOH510 3.9 48.2 1.0
CA E:ILE239 4.2 12.7 1.0
CG2 E:THR238 4.2 30.5 1.0
CZ E:ARG218 4.2 13.4 1.0
CB E:ILE239 4.3 12.7 1.0
O E:HOH529 4.3 28.3 1.0
CG E:ARG218 4.4 11.5 1.0
NZ F:LYS232 4.4 37.3 1.0
C E:ILE239 4.4 26.6 1.0
NH1 E:ARG218 4.4 12.1 1.0
CE F:LYS232 4.5 30.2 1.0
CG1 E:ILE239 4.7 17.4 1.0
O E:PHE237 4.8 17.0 1.0
N E:THR238 4.9 15.2 1.0
O E:HOH538 4.9 36.5 1.0
O E:HOH422 5.0 15.8 1.0

Chlorine binding site 6 out of 6 in 4tl8

Go back to Chlorine Binding Sites List in 4tl8
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:19.8
occ:1.00
 O F:HOH526 2.8 40.1 1.0
N F:ILE239 3.2 15.1 1.0
NE F:ARG218 3.3 14.4 1.0
O A:HOH420 3.3 19.9 1.0
O F:HOH490 3.6 51.8 1.0
CA F:THR238 3.7 14.6 1.0
O A:HOH432 3.7 33.7 1.0
O F:HOH502 3.8 29.8 1.0
O F:ILE239 3.8 22.2 1.0
CD F:ARG218 3.8 14.9 1.0
CB F:THR238 3.9 20.6 1.0
C F:THR238 3.9 15.8 1.0
NZ A:LYS232 4.0 26.7 1.0
CA F:ILE239 4.1 15.5 1.0
CE A:LYS232 4.2 18.3 1.0
CB F:ILE239 4.3 15.5 1.0
CZ F:ARG218 4.3 17.9 1.0
C F:ILE239 4.4 23.8 1.0
CG2 F:THR238 4.4 23.3 1.0
NH2 F:ARG218 4.5 16.7 1.0
CG F:ARG218 4.5 14.3 1.0
O F:HOH520 4.5 22.0 1.0
O F:PHE237 4.8 13.7 1.0
CG1 F:ILE239 4.9 15.1 1.0
N F:THR238 5.0 15.3 1.0
O F:HOH437 5.0 17.3 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 01:44:36 2024

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