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Chlorine in PDB 3ge1: 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol

Enzymatic activity of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol

All present enzymatic activity of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol:
2.7.1.30;

Protein crystallography data

The structure of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol, PDB code: 3ge1 was solved by G.Minasov, J.Brunzelle, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.412, 193.651, 91.844, 90.00, 106.01, 90.00
R / Rfree (%) 19.1 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol (pdb code 3ge1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol, PDB code: 3ge1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ge1

Go back to Chlorine Binding Sites List in 3ge1
Chlorine binding site 1 out of 4 in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:69.9
occ:1.00
 OE2 A:GLU381 3.0 33.8 1.0
N A:THR338 3.2 36.9 1.0
CA A:SER337 3.5 35.6 1.0
CB A:SER337 3.5 35.6 1.0
CG2 A:THR338 3.6 35.8 1.0
OE1 A:GLU381 3.7 38.5 1.0
NE A:ARG377 3.7 39.6 1.0
CD A:GLU381 3.7 37.3 1.0
OG1 A:THR338 3.8 32.3 1.0
C A:SER337 3.8 36.4 1.0
CB A:THR338 4.1 35.9 1.0
NH2 A:ARG377 4.1 38.4 1.0
CD2 A:LEU481 4.2 33.6 1.0
CA A:THR338 4.2 36.4 1.0
CZ A:ARG377 4.4 37.1 1.0
O A:ASP336 4.7 34.2 1.0
CD A:ARG377 4.7 37.8 1.0
OG A:SER337 4.8 33.9 1.0
N A:SER337 4.8 35.0 1.0
CE1 A:PHE420 4.8 21.6 1.0
CD1 A:LEU481 4.9 37.3 1.0
N A:GLU339 5.0 39.4 1.0

Chlorine binding site 2 out of 4 in 3ge1

Go back to Chlorine Binding Sites List in 3ge1
Chlorine binding site 2 out of 4 in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:76.4
occ:1.00
 OE2 B:GLU381 3.2 41.7 1.0
CB B:SER337 3.4 37.0 1.0
N B:THR338 3.6 37.8 1.0
CA B:SER337 3.7 37.7 1.0
OE1 B:GLU381 3.7 39.6 1.0
CD B:GLU381 3.9 39.7 1.0
OG1 B:THR338 4.1 39.4 1.0
CD2 B:LEU481 4.1 26.2 1.0
NE B:ARG377 4.1 38.3 1.0
CG2 B:THR338 4.1 38.0 1.0
C B:SER337 4.2 38.1 1.0
CD1 B:LEU481 4.2 25.8 1.0
NH2 B:ARG377 4.3 39.2 1.0
CB B:THR338 4.5 38.2 1.0
OG B:SER337 4.6 33.8 1.0
CE1 B:PHE420 4.6 24.3 1.0
CA B:THR338 4.6 37.8 1.0
CZ B:ARG377 4.7 35.9 1.0
CG B:LEU481 4.8 28.4 1.0
O B:ASP336 4.8 40.9 1.0
N B:SER337 5.0 39.0 1.0

Chlorine binding site 3 out of 4 in 3ge1

Go back to Chlorine Binding Sites List in 3ge1
Chlorine binding site 3 out of 4 in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:50.8
occ:1.00
 OE2 C:GLU381 2.9 33.1 1.0
N C:THR338 3.4 37.4 1.0
CA C:SER337 3.6 35.9 1.0
CB C:SER337 3.7 35.3 1.0
CD C:GLU381 3.7 36.5 1.0
OE1 C:GLU381 3.7 38.1 1.0
OG1 C:THR338 3.7 34.3 1.0
NE C:ARG377 3.9 39.8 1.0
CG2 C:THR338 4.0 35.1 1.0
CD2 C:LEU481 4.0 33.5 1.0
C C:SER337 4.0 37.1 1.0
NH2 C:ARG377 4.1 38.9 1.0
CB C:THR338 4.3 36.4 1.0
CA C:THR338 4.5 36.7 1.0
CZ C:ARG377 4.5 36.7 1.0
O C:HOH536 4.5 27.6 1.0
CE1 C:PHE420 4.6 23.9 1.0
CD1 C:LEU481 4.7 35.5 1.0
O C:ASP336 4.8 32.5 1.0
CD C:ARG377 4.9 37.6 1.0
OG C:SER337 4.9 34.7 1.0
N C:SER337 5.0 35.8 1.0
CG C:LEU481 5.0 35.0 1.0

Chlorine binding site 4 out of 4 in 3ge1

Go back to Chlorine Binding Sites List in 3ge1
Chlorine binding site 4 out of 4 in the 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:63.4
occ:1.00
 OE2 D:GLU381 2.9 41.4 1.0
CB D:SER337 3.3 37.4 1.0
CA D:SER337 3.3 37.8 1.0
NE D:ARG377 3.4 36.5 1.0
NH2 D:ARG377 3.5 40.4 1.0
N D:THR338 3.5 38.0 1.0
CD D:GLU381 3.8 38.4 1.0
OE1 D:GLU381 3.9 40.9 1.0
CZ D:ARG377 3.9 37.9 1.0
C D:SER337 3.9 38.2 1.0
CG2 D:THR338 4.0 36.9 1.0
O D:ASP336 4.2 40.1 1.0
OG1 D:THR338 4.4 40.7 1.0
CE1 D:PHE420 4.4 24.2 1.0
CD D:ARG377 4.5 37.5 1.0
N D:SER337 4.6 38.8 1.0
CB D:THR338 4.6 38.1 1.0
CD2 D:LEU481 4.6 25.5 1.0
OG D:SER337 4.6 35.6 1.0
CD1 D:LEU481 4.7 21.9 1.0
CA D:THR338 4.7 37.6 1.0
C D:ASP336 4.8 39.6 1.0

Reference:

G.Minasov, J.Brunzelle, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.7 Angstrom Crystal Structure of Glycerol Kinase (Glpk) From Staphylococcus Aureus in Complex with Adp and Glycerol To Be Published.
Page generated: Sat Dec 12 09:44:07 2020

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