Chlorine in PDB 7t4v: 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: 7t4v 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) 34.16 / 2.28
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.232, 103.69, 104.31, 90, 90, 90
R / Rfree (%) 19.4 / 25.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cgmp-Dependent Protein Kinase (pdb code 7t4v). 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: 7t4v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7t4v

Go back to Chlorine Binding Sites List in 7t4v
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:62.3
occ:1.00
 CL1 A:EXZ9901 0.0 62.3 1.0
C26 A:EXZ9901 1.7 62.2 1.0
C25 A:EXZ9901 2.7 60.9 1.0
C27 A:EXZ9901 2.7 62.7 1.0
CE2 A:PHE273 3.7 32.2 1.0
CD1 A:LEU248 3.7 32.2 1.0
CD2 A:PHE273 3.8 29.6 1.0
CG2 A:ILE331 3.9 25.0 1.0
CD2 A:LEU248 3.9 34.3 1.0
C24 A:EXZ9901 4.0 61.6 1.0
C22 A:EXZ9901 4.0 63.8 1.0
CG A:LEU248 4.2 33.2 1.0
CE1 A:PHE336 4.3 33.5 1.0
CD1 A:PHE336 4.3 33.7 1.0
C23 A:EXZ9901 4.5 61.8 1.0
CD1 A:ILE275 4.5 8.7 1.0
CE1 A:PHE237 4.8 62.6 1.0
CZ A:PHE273 4.8 30.7 1.0
CZ A:PHE237 4.9 61.4 1.0
CG A:PHE273 5.0 28.3 1.0

Chlorine binding site 2 out of 6 in 7t4v

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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:61.8
occ:1.00
 CL A:EXZ9901 0.0 61.8 1.0
C24 A:EXZ9901 1.7 61.6 1.0
C25 A:EXZ9901 2.7 60.9 1.0
C23 A:EXZ9901 2.7 61.8 1.0
CE1 A:TYR351 3.8 35.3 1.0
CD1 A:LEU240 3.8 56.1 1.0
C19 A:EXZ9901 3.9 74.4 1.0
C26 A:EXZ9901 4.0 62.2 1.0
C22 A:EXZ9901 4.0 63.8 1.0
CD1 A:TYR351 4.0 35.4 1.0
C20 A:EXZ9901 4.1 74.7 1.0
C18 A:EXZ9901 4.3 74.2 1.0
CE1 A:PHE336 4.5 33.5 1.0
C27 A:EXZ9901 4.5 62.7 1.0
CG2 A:ILE244 4.5 40.5 1.0
CZ A:PHE336 4.5 31.6 1.0
CE1 A:PHE237 4.6 62.6 1.0
CD1 A:PHE237 4.7 61.8 1.0
C21 A:EXZ9901 4.7 74.2 1.0
CD2 A:LEU240 4.8 58.9 1.0
C17 A:EXZ9901 4.9 74.7 1.0
CG A:LEU240 4.9 56.4 1.0
CZ A:TYR351 5.0 40.8 1.0

Chlorine binding site 3 out of 6 in 7t4v

Go back to Chlorine Binding Sites List in 7t4v
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:32.2
occ:1.00
 CD2 A:HIS432 3.4 29.8 1.0
CB A:HIS432 3.5 24.9 1.0
CE1 A:TYR360 3.6 48.8 1.0
OH A:TYR360 3.7 57.9 1.0
CG A:HIS432 3.7 28.3 1.0
CA A:HIS432 3.8 24.0 1.0
CZ A:TYR360 4.0 55.6 1.0
CD A:ARG438 4.0 7.7 1.0
C A:HIS432 4.2 27.4 1.0
O A:HIS432 4.3 26.8 1.0
NE A:ARG438 4.4 17.1 1.0
CD1 A:TYR360 4.5 48.0 1.0
NE2 A:HIS432 4.7 29.7 1.0
N A:SER433 4.9 23.2 1.0

Chlorine binding site 4 out of 6 in 7t4v

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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:37.3
occ:1.00
 CL1 B:EXZ9901 0.0 37.3 1.0
C26 B:EXZ9901 1.7 35.8 1.0
C25 B:EXZ9901 2.7 34.5 1.0
C27 B:EXZ9901 2.7 34.4 1.0
CD1 B:LEU240 3.4 47.8 1.0
CE1 B:TYR351 3.6 29.8 1.0
CD1 B:TYR351 3.6 30.8 1.0
C24 B:EXZ9901 4.0 34.6 1.0
CE1 B:PHE237 4.0 48.5 1.0
C22 B:EXZ9901 4.0 32.2 1.0
CD1 B:PHE237 4.1 48.4 1.0
C19 B:EXZ9901 4.2 28.4 1.0
C18 B:EXZ9901 4.3 28.6 1.0
CD1 B:LEU248 4.4 39.4 1.0
C20 B:EXZ9901 4.4 28.8 1.0
C23 B:EXZ9901 4.5 32.3 1.0
C17 B:EXZ9901 4.6 30.5 1.0
CE1 B:PHE336 4.6 40.8 1.0
CG B:LEU240 4.7 47.8 1.0
CD2 B:LEU240 4.7 48.5 1.0
CG2 B:ILE244 4.7 35.7 1.0
C21 B:EXZ9901 4.7 29.0 1.0
CZ B:PHE336 4.8 40.1 1.0
C16 B:EXZ9901 4.8 32.2 1.0
CZ B:TYR351 4.9 37.7 1.0
CG B:TYR351 4.9 30.0 1.0

Chlorine binding site 5 out of 6 in 7t4v

Go back to Chlorine Binding Sites List in 7t4v
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:38.2
occ:1.00
 CL B:EXZ9901 0.0 38.2 1.0
C24 B:EXZ9901 1.7 34.6 1.0
C25 B:EXZ9901 2.7 34.5 1.0
C23 B:EXZ9901 2.7 32.3 1.0
CD1 B:ILE331 3.6 59.3 1.0
CE2 B:PHE273 3.7 27.3 1.0
CD2 B:LEU248 3.8 40.6 1.0
CD1 B:ILE275 3.9 40.3 1.0
C26 B:EXZ9901 4.0 35.8 1.0
CD2 B:PHE273 4.0 24.6 1.0
C22 B:EXZ9901 4.0 32.2 1.0
CG1 B:ILE331 4.0 42.6 1.0
CZ B:PHE237 4.3 47.0 1.0
C27 B:EXZ9901 4.5 34.4 1.0
CD1 B:LEU248 4.5 39.4 1.0
CG B:LEU248 4.7 39.2 1.0
CD2 B:LEU252 4.7 42.5 1.0
CE1 B:PHE336 4.8 40.8 1.0
CE1 B:PHE237 4.8 48.5 1.0
CE2 B:PHE237 4.8 49.3 1.0
CD1 B:PHE336 4.9 40.3 1.0
CZ B:PHE273 4.9 26.0 1.0
CG1 B:ILE275 5.0 34.2 1.0

Chlorine binding site 6 out of 6 in 7t4v

Go back to Chlorine Binding Sites List in 7t4v
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:40.7
occ:1.00
 O B:SER433 3.2 21.2 1.0
OD1 B:ASP434 3.4 49.7 1.0
C B:SER433 3.4 20.5 1.0
CG B:ARG438 3.8 13.6 1.0
N B:ASP434 3.8 17.1 1.0
CA B:ASP434 3.9 18.9 1.0
CD B:ARG438 4.1 13.0 1.0
N B:SER433 4.1 16.6 1.0
CA B:SER433 4.3 15.7 1.0
CG B:ASP434 4.4 47.2 1.0
O B:HOH26 4.4 13.0 1.0
NZ B:LYS514 4.5 13.0 1.0
C B:HIS432 4.6 19.5 1.0
CB B:ASP434 4.6 22.6 1.0
O B:ILE436 4.7 21.7 1.0
OE1 B:GLU454 4.8 39.4 1.0
CA B:HIS432 5.0 16.4 1.0
O B:HOH38 5.0 3.0 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 04:26:09 2024

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