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Chlorine in PDB 4tlb: 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: 4tlb 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) 29.43 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.060, 133.562, 150.835, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.9

Other elements in 4tlb:

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

Chlorine binding site 1 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:20.3
occ:1.00
 O B:HOH456 3.2 18.9 1.0
NE A:ARG218 3.2 14.0 1.0
N A:ILE239 3.3 17.2 1.0
O A:HOH471 3.6 41.0 1.0
O B:HOH500 3.6 28.8 1.0
CA A:THR238 3.7 21.2 1.0
O A:HOH525 3.7 28.1 1.0
CD A:ARG218 3.7 16.6 1.0
O A:ILE239 3.8 18.0 1.0
CB A:THR238 3.9 21.7 1.0
C A:THR238 4.0 17.1 1.0
NZ B:LYS232 4.1 17.9 1.0
CE B:LYS232 4.2 22.1 1.0
CA A:ILE239 4.2 17.0 1.0
CZ A:ARG218 4.3 16.8 1.0
O A:HOH526 4.3 33.5 1.0
CG2 A:THR238 4.3 26.6 1.0
CG A:ARG218 4.4 13.2 1.0
CB A:ILE239 4.4 19.7 1.0
C A:ILE239 4.4 24.8 1.0
NH1 A:ARG218 4.5 14.6 1.0
O A:PHE237 4.7 16.4 1.0
CG1 A:ILE239 4.8 19.8 1.0
O A:HOH421 5.0 15.1 1.0
N A:THR238 5.0 19.0 1.0

Chlorine binding site 2 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:20.6
occ:1.00
 O B:HOH537 2.8 43.6 1.0
O C:HOH431 3.1 16.0 1.0
N B:ILE239 3.1 13.4 1.0
NE B:ARG218 3.2 16.1 1.0
CA B:THR238 3.6 12.8 1.0
CD B:ARG218 3.7 11.7 1.0
O C:HOH401 3.8 31.9 1.0
O B:ILE239 3.8 15.0 1.0
CB B:THR238 3.8 19.3 1.0
O B:HOH527 3.9 27.5 1.0
C B:THR238 3.9 13.2 1.0
CA B:ILE239 4.1 13.0 1.0
NZ C:LYS232 4.2 18.3 1.0
CB B:ILE239 4.3 14.6 1.0
CZ B:ARG218 4.3 17.2 1.0
CE C:LYS232 4.3 19.0 1.0
CG B:ARG218 4.3 11.4 1.0
C B:ILE239 4.4 19.5 1.0
CG2 B:THR238 4.4 15.4 1.0
NH1 B:ARG218 4.5 11.5 1.0
O B:HOH528 4.5 28.4 1.0
O B:HOH579 4.6 44.5 1.0
O B:PHE237 4.7 14.7 1.0
CG1 B:ILE239 4.8 14.0 1.0
N B:THR238 4.9 16.5 1.0

Chlorine binding site 3 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:16.9
occ:1.00
 O C:HOH427 3.1 12.9 1.0
N C:ILE239 3.2 20.0 1.0
NE C:ARG218 3.2 12.5 1.0
O C:HOH560 3.5 33.0 1.0
CA C:THR238 3.6 12.5 1.0
CB C:THR238 3.7 23.2 1.0
CD C:ARG218 3.7 13.0 1.0
O C:ILE239 3.9 14.6 1.0
C C:THR238 3.9 15.6 1.0
O D:HOH515 3.9 34.6 1.0
CG2 C:THR238 4.0 27.3 1.0
CA C:ILE239 4.2 13.2 1.0
CZ C:ARG218 4.3 14.7 1.0
CB C:ILE239 4.4 15.0 1.0
CG C:ARG218 4.4 12.3 1.0
CE D:LYS232 4.4 18.5 1.0
NH1 C:ARG218 4.5 10.5 1.0
C C:ILE239 4.5 19.6 1.0
NZ D:LYS232 4.6 20.8 1.0
O C:HOH505 4.6 24.5 1.0
CG1 C:ILE239 4.7 12.0 1.0
O C:PHE237 4.8 15.0 1.0
N C:THR238 4.9 12.6 1.0

Chlorine binding site 4 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:14.7
occ:1.00
 O D:HOH536 2.8 36.6 1.0
N D:ILE239 3.2 10.9 1.0
NE D:ARG218 3.2 9.9 1.0
O D:HOH450 3.3 12.7 1.0
O D:HOH477 3.6 35.6 1.0
CA D:THR238 3.6 10.7 1.0
O E:HOH504 3.7 23.4 1.0
CD D:ARG218 3.7 9.8 1.0
O D:ILE239 3.8 12.6 1.0
CB D:THR238 3.8 15.1 1.0
C D:THR238 3.9 13.2 1.0
O D:HOH534 4.0 23.0 1.0
CA D:ILE239 4.2 11.2 1.0
NZ E:LYS232 4.2 10.1 1.0
CG2 D:THR238 4.3 11.8 1.0
CG D:ARG218 4.3 9.5 1.0
CE E:LYS232 4.3 16.1 1.0
CZ D:ARG218 4.3 11.1 1.0
CB D:ILE239 4.4 11.0 1.0
C D:ILE239 4.4 15.1 1.0
O D:HOH457 4.4 18.3 1.0
NH1 D:ARG218 4.5 10.3 1.0
O D:HOH434 4.6 41.5 1.0
O D:PHE237 4.7 10.1 1.0
CG1 D:ILE239 4.9 13.7 1.0
N D:THR238 4.9 11.2 1.0

Chlorine binding site 5 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:16.6
occ:1.00
 O E:HOH562 2.9 49.9 1.0
O F:HOH502 3.1 14.4 1.0
NE E:ARG218 3.1 8.3 1.0
N E:ILE239 3.2 11.4 1.0
O E:HOH560 3.5 19.4 1.0
CA E:THR238 3.6 9.8 1.0
CD E:ARG218 3.6 10.3 1.0
CB E:THR238 3.8 20.9 1.0
O E:ILE239 3.8 13.8 1.0
C E:THR238 3.9 10.1 1.0
O E:HOH563 3.9 39.0 1.0
O F:HOH533 4.1 45.1 1.0
CA E:ILE239 4.2 8.9 1.0
CZ E:ARG218 4.2 10.8 1.0
NZ F:LYS232 4.3 23.4 1.0
CG2 E:THR238 4.3 24.8 1.0
CB E:ILE239 4.3 8.9 1.0
CG E:ARG218 4.4 10.3 1.0
NH1 E:ARG218 4.4 10.4 1.0
C E:ILE239 4.4 17.0 1.0
O E:HOH527 4.4 21.9 1.0
CE F:LYS232 4.5 27.6 1.0
O E:HOH464 4.8 32.6 1.0
O E:PHE237 4.8 11.7 1.0
CG1 E:ILE239 4.8 9.5 1.0
N E:THR238 5.0 9.0 1.0

Chlorine binding site 6 out of 6 in 4tlb

Go back to Chlorine Binding Sites List in 4tlb
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:17.6
occ:1.00
 N F:ILE239 3.1 11.9 1.0
O A:HOH426 3.1 19.0 1.0
NE F:ARG218 3.2 12.6 1.0
CA F:THR238 3.7 11.4 1.0
O F:ILE239 3.7 14.9 1.0
O F:HOH560 3.7 50.0 1.0
O A:HOH453 3.7 30.9 1.0
CD F:ARG218 3.7 11.4 1.0
O F:HOH559 3.7 22.4 1.0
CB F:THR238 3.9 18.8 1.0
C F:THR238 3.9 13.0 1.0
NZ A:LYS232 4.0 14.6 1.0
CA F:ILE239 4.1 13.9 1.0
CE A:LYS232 4.2 12.9 1.0
CZ F:ARG218 4.2 13.9 1.0
CB F:ILE239 4.3 12.2 1.0
C F:ILE239 4.3 23.0 1.0
NH2 F:ARG218 4.4 13.8 1.0
CG2 F:THR238 4.4 25.7 1.0
CG F:ARG218 4.5 13.2 1.0
O F:HOH503 4.6 16.6 1.0
O F:PHE237 4.8 10.6 1.0
CG1 F:ILE239 4.8 15.4 1.0
N F:THR238 5.0 12.8 1.0
O F:HOH450 5.0 12.0 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 01:44:45 2024

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