Chlorine in PDB 7t4w: Crystal Structure of Cgmp-Dependent Protein Kinase

Enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase

All present enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase:
2.7.11.12;

Protein crystallography data

The structure of Crystal Structure of Cgmp-Dependent Protein Kinase, PDB code: 7t4w was solved by M.Zebisch, L.Silvestre, T.O.Fischmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.06 / 2.23
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93, 102.621, 104.028, 90, 90, 90
R / Rfree (%) 20.4 / 26.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cgmp-Dependent Protein Kinase (pdb code 7t4w). 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 Cgmp-Dependent Protein Kinase, PDB code: 7t4w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7t4w

Go back to Chlorine Binding Sites List in 7t4w
Chlorine binding site 1 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9901

b:67.7
occ:1.00
 CL1 A:EZJ9901 0.0 67.7 1.0
C25 A:EZJ9901 1.7 65.8 1.0
C24 A:EZJ9901 2.7 67.9 1.0
C26 A:EZJ9901 2.7 65.0 1.0
CE1 A:TYR351 3.4 56.5 1.0
CD1 A:LEU240 3.4 61.4 1.0
CD1 A:TYR351 3.6 58.1 1.0
C19 A:EZJ9901 3.9 52.7 1.0
C18 A:EZJ9901 3.9 50.9 1.0
C23 A:EZJ9901 4.0 70.5 1.0
C21 A:EZJ9901 4.0 65.4 1.0
CG2 A:ILE244 4.4 44.7 1.0
C20 A:EZJ9901 4.4 55.7 1.0
CD2 A:LEU240 4.5 64.6 1.0
C17 A:EZJ9901 4.5 52.4 1.0
C22 A:EZJ9901 4.5 67.7 1.0
CG A:LEU240 4.5 61.5 1.0
CE2 A:PHE237 4.5 49.9 1.0
CZ A:TYR351 4.6 59.0 1.0
CD2 A:PHE237 4.8 47.9 1.0
CD2 A:LEU248 4.8 45.9 1.0
C15 A:EZJ9901 4.9 57.8 1.0
CG A:TYR351 5.0 57.3 1.0
C16 A:EZJ9901 5.0 55.8 1.0
OH A:TYR351 5.0 52.0 1.0

Chlorine binding site 2 out of 6 in 7t4w

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Chlorine binding site 2 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9901

b:74.1
occ:1.00
 CL A:EZJ9901 0.0 74.1 1.0
C23 A:EZJ9901 1.7 70.5 1.0
C24 A:EZJ9901 2.7 67.9 1.0
C22 A:EZJ9901 2.7 67.7 1.0
CE2 A:PHE273 3.4 31.2 1.0
CD2 A:PHE273 3.5 28.9 1.0
CG2 A:ILE331 3.8 33.6 1.0
CD1 A:LEU248 3.9 40.6 1.0
C25 A:EZJ9901 4.0 65.8 1.0
CE2 A:PHE237 4.0 49.9 1.0
C21 A:EZJ9901 4.0 65.4 1.0
CZ A:PHE237 4.3 47.5 1.0
CD1 A:PHE336 4.5 35.5 1.0
CZ A:PHE273 4.5 29.4 1.0
C26 A:EZJ9901 4.5 65.0 1.0
CG A:PHE273 4.7 26.9 1.0
CG A:LEU248 4.8 41.5 1.0
CE1 A:PHE336 4.8 35.0 1.0
CD1 A:ILE275 4.8 30.7 1.0
CD1 A:LEU310 4.9 36.0 1.0
CB A:ILE331 5.0 34.5 1.0

Chlorine binding site 3 out of 6 in 7t4w

Go back to Chlorine Binding Sites List in 7t4w
Chlorine binding site 3 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9902

b:44.2
occ:1.00
 O A:SER433 3.2 18.4 1.0
C A:SER433 3.5 17.7 1.0
OD1 A:ASP434 3.6 28.5 1.0
C A:HIS432 3.7 26.1 1.0
N A:SER433 3.8 16.9 1.0
N A:ASP434 3.9 14.7 1.0
CD A:ARG438 3.9 7.0 1.0
O A:HIS432 4.1 28.7 1.0
CA A:HIS432 4.1 23.2 1.0
O A:HOH22 4.2 18.7 1.0
CA A:SER433 4.2 14.3 1.0
CG A:ARG438 4.2 10.4 1.0
CA A:ASP434 4.2 14.6 1.0
CG A:ASP434 4.3 28.1 1.0
CB A:HIS432 4.6 24.2 1.0
OH A:TYR360 4.7 77.4 1.0
CB A:ASP434 4.9 17.6 1.0
NE A:ARG438 4.9 17.9 1.0

Chlorine binding site 4 out of 6 in 7t4w

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Chlorine binding site 4 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9901

b:57.7
occ:1.00
 CL1 B:EZJ9901 0.0 57.7 1.0
C25 B:EZJ9901 1.7 57.5 1.0
C26 B:EZJ9901 2.7 57.3 1.0
C24 B:EZJ9901 2.7 59.4 1.0
CD1 B:LEU240 3.4 45.6 1.0
CD1 B:TYR351 3.8 36.7 1.0
C19 B:EZJ9901 3.9 33.8 1.0
C18 B:EZJ9901 3.9 32.0 1.0
C23 B:EZJ9901 4.0 62.7 1.0
C21 B:EZJ9901 4.0 56.6 1.0
CE1 B:TYR351 4.0 36.1 1.0
CG2 B:ILE244 4.3 40.9 1.0
C20 B:EZJ9901 4.4 34.4 1.0
C17 B:EZJ9901 4.5 32.0 1.0
CD2 B:LEU240 4.5 45.6 1.0
C22 B:EZJ9901 4.5 59.2 1.0
CE1 B:PHE237 4.5 54.5 1.0
CE1 B:PHE336 4.5 40.1 1.0
CD1 B:PHE237 4.5 54.0 1.0
CG B:LEU240 4.6 46.0 1.0
CD2 B:LEU248 4.8 42.9 1.0
CD1 B:ILE340 4.9 38.5 1.0
C15 B:EZJ9901 4.9 33.7 1.0
C16 B:EZJ9901 4.9 32.7 1.0
CZ B:PHE336 5.0 39.8 1.0

Chlorine binding site 5 out of 6 in 7t4w

Go back to Chlorine Binding Sites List in 7t4w
Chlorine binding site 5 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9901

b:69.6
occ:1.00
 CL B:EZJ9901 0.0 69.6 1.0
C23 B:EZJ9901 1.7 62.7 1.0
C24 B:EZJ9901 2.7 59.4 1.0
C22 B:EZJ9901 2.7 59.2 1.0
CD1 B:ILE331 3.3 50.0 1.0
CE2 B:PHE273 3.4 39.2 1.0
CD2 B:PHE273 3.4 36.5 1.0
CD1 B:LEU248 3.6 38.3 1.0
CG1 B:ILE331 3.6 38.5 1.0
C25 B:EZJ9901 4.0 57.5 1.0
C21 B:EZJ9901 4.0 56.6 1.0
CD1 B:ILE275 4.3 37.7 1.0
CZ B:PHE237 4.3 53.4 1.0
C26 B:EZJ9901 4.5 57.3 1.0
CZ B:PHE273 4.6 36.3 1.0
CG B:PHE273 4.6 34.1 1.0
CE1 B:PHE237 4.6 54.5 1.0
CG B:LEU248 4.7 38.3 1.0
CD1 B:PHE336 4.7 38.9 1.0
CE1 B:PHE336 4.8 40.1 1.0
CB B:ILE331 5.0 38.0 1.0

Chlorine binding site 6 out of 6 in 7t4w

Go back to Chlorine Binding Sites List in 7t4w
Chlorine binding site 6 out of 6 in the Crystal Structure of Cgmp-Dependent Protein Kinase


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 Cgmp-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9902

b:48.9
occ:1.00
 OH B:TYR360 2.9 35.7 1.0
CD B:ARG438 3.9 11.6 1.0
O B:HOH28 3.9 24.8 1.0
CZ B:TYR360 4.0 33.4 1.0
CB B:HIS432 4.3 16.7 1.0
NE B:ARG438 4.3 23.0 1.0
CA B:HIS432 4.3 15.1 1.0
CE1 B:TYR360 4.3 31.2 1.0
CG B:ARG438 4.5 6.7 1.0
C B:HIS432 4.6 18.9 1.0
N B:SER433 4.7 13.3 1.0

Reference:

E.Metwally, V.Mak, H.L.Sylvestre, P.Mcewan, J.J.Baker, Y.Rose, A.Patel, Y.-H.Lim, D.Healy, J.Hanisak, G.Ermakov, M.Beaumont, A.C.Cheng, T.Greshock, T.O.Fischmann. Selective Small Molecule of PKG1ALPHA: Structure and Function To Be Published.
Page generated: Tue Jul 30 04:26:18 2024

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