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Zinc in PDB 3m9g: Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus

Enzymatic activity of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus, PDB code: 3m9g was solved by P.Paracuellos, A.Ballandras, X.Robert, C.Creze, A.J.Cozzone, B.Duclos, P.Gouet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.77 / 2.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 91.860, 101.210, 74.750, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 30.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus (pdb code 3m9g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus, PDB code: 3m9g:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in 3m9g

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Zinc binding site 1 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2000

b:54.0
occ:1.00
OE1 A:GLU539 1.8 41.6 1.0
O A:HOH1000 2.7 12.1 1.0
CD A:GLU539 2.7 38.8 1.0
OE2 A:GLU539 3.1 42.2 1.0
CG A:GLU539 4.1 34.2 1.0
CG2 A:THR568 4.4 44.7 1.0

Zinc binding site 2 out of 7 in 3m9g

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Zinc binding site 2 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2001

b:45.5
occ:1.00
OD2 A:ASP432 1.9 27.6 1.0
OE1 A:GLU429 2.1 45.7 1.0
O A:HOH1009 2.5 20.9 1.0
CD A:GLU429 2.6 42.5 1.0
OD1 A:ASP432 2.6 33.9 1.0
CG A:ASP432 2.6 28.9 1.0
OE2 A:GLU429 3.1 43.0 1.0
CG A:GLU429 3.5 41.3 1.0
CB A:GLU429 3.8 40.6 1.0
N A:GLU429 4.1 40.2 1.0
CB A:ASP432 4.1 32.1 1.0
CA A:GLU429 4.6 40.8 1.0
CG2 A:VAL428 5.0 35.3 1.0

Zinc binding site 3 out of 7 in 3m9g

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Zinc binding site 3 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2002

b:63.5
occ:1.00
OD1 A:ASP546 1.8 36.0 1.0
O A:HOH1010 1.8 65.0 1.0
OXT A:GLY576 2.6 48.0 1.0
CG A:ASP546 3.0 39.0 1.0
OD2 A:ASP546 3.6 44.4 1.0
C A:GLY576 3.6 46.5 1.0
O A:GLY576 4.0 47.6 1.0
CB A:ASP546 4.2 40.3 1.0
O A:SER545 4.2 37.2 1.0
C A:SER545 4.6 39.1 1.0
CA A:ASP546 4.7 39.9 1.0
N A:ASP546 4.7 37.7 1.0
CD2 A:TYR544 4.9 26.0 1.0
CA A:GLY576 5.0 45.1 1.0
O A:HOH1044 5.0 44.4 1.0

Zinc binding site 4 out of 7 in 3m9g

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Zinc binding site 4 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2003

b:60.7
occ:1.00
OE2 A:GLU543 2.0 36.1 1.0
OE1 A:GLU543 2.3 43.5 1.0
CD A:GLU543 2.5 37.3 1.0
CG A:GLU543 4.0 36.3 1.0
CG1 A:VAL572 4.9 39.4 1.0
CB A:GLU543 4.9 35.7 1.0

Zinc binding site 5 out of 7 in 3m9g

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Zinc binding site 5 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2004

b:65.0
occ:1.00
O A:HOH1011 2.3 26.5 1.0
OD1 A:ASP552 2.9 49.6 1.0
O A:HOH1065 3.0 65.0 1.0
OD2 A:ASP552 3.1 52.5 1.0
CG A:ASP552 3.4 51.0 1.0
OD1 A:ASP549 4.5 61.8 1.0
NZ A:LYS522 4.6 27.4 1.0
CD A:LYS522 4.8 44.7 1.0
CB A:ASP549 4.8 55.2 1.0
O A:HOH1060 4.9 63.9 1.0
CB A:ASP552 4.9 48.4 1.0
CG A:ASP549 5.0 59.5 1.0

Zinc binding site 6 out of 7 in 3m9g

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Zinc binding site 6 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2005

b:65.0
occ:1.00
OD2 A:ASP381 3.1 36.8 1.0
O A:HOH1012 3.2 43.9 1.0
OD1 A:ASP381 3.7 42.0 1.0
CG A:ASP381 3.8 35.4 1.0
CB A:ILE383 4.6 20.0 1.0
O A:ILE383 4.9 33.0 1.0

Zinc binding site 7 out of 7 in 3m9g

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Zinc binding site 7 out of 7 in the Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of the Three-Pasta-Domain of A Ser/Thr Kinase From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2006

b:65.0
occ:0.50
NE2 A:HIS521 2.0 52.6 1.0
CD2 A:HIS521 2.5 50.5 1.0
CE1 A:HIS521 3.3 55.1 1.0
CG A:HIS521 3.8 49.3 1.0
ND1 A:HIS521 4.1 53.3 1.0
CD1 A:ILE548 4.1 18.4 1.0
CG1 A:ILE548 4.5 29.3 1.0
O A:ILE554 4.7 30.3 1.0
O A:GLU520 4.8 52.4 1.0
O A:VAL553 4.9 35.1 1.0
C A:GLU520 4.9 47.2 1.0

Reference:

P.Paracuellos, A.Ballandras, X.Robert, R.Kahn, M.Herve, D.Mengin-Lecreulx, A.J.Cozzone, B.Duclos, P.Gouet. The Extended Conformation of the 2.9-A Crystal Structure of the Three-Pasta Domain of A Ser/Thr Kinase From the Human Pathogen Staphylococcus Aureus J.Mol.Biol. V. 404 847 2010.
ISSN: ISSN 0022-2836
PubMed: 20965199
DOI: 10.1016/J.JMB.2010.10.012
Page generated: Sat Sep 26 11:41:21 2020
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