Atomistry » Magnesium » PDB 5chg-5cqz » 5coj
Atomistry »
  Magnesium »
    PDB 5chg-5cqz »
      5coj »

Magnesium in PDB 5coj: Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.

Enzymatic activity of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.

All present enzymatic activity of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.:
2.7.1.50;

Protein crystallography data

The structure of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol., PDB code: 5coj was solved by J.Drebes, M.Kuenz, R.J.Eberle, D.Oberthuer, H.Cang, C.Wrenger, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 62.549, 62.741, 108.459, 92.18, 91.44, 101.32
R / Rfree (%) 18.6 / 21

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol. (pdb code 5coj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol., PDB code: 5coj:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5coj

Go back to Magnesium Binding Sites List in 5coj
Magnesium binding site 1 out of 4 in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:50.9
occ:0.89
 OD1 A:ASP88 2.3 36.9 1.0
OE1 A:GLU120 3.0 25.6 1.0
O A:HOH408 3.1 30.4 1.0
CG A:ASP88 3.1 34.2 1.0
OD2 A:ASP88 3.3 40.1 1.0
OE2 A:GLU120 3.7 24.7 1.0
NZ A:LYS115 3.7 41.1 1.0
CD A:GLU120 3.7 25.9 1.0
CE A:LYS115 3.8 37.4 1.0
CA A:GLY116 3.9 23.4 1.0
CG2 A:VAL90 4.1 21.3 1.0
O A:LYS115 4.1 22.5 1.0
CA A:VAL90 4.3 23.0 1.0
N A:ASN117 4.6 24.7 1.0
CB A:ASP88 4.6 27.2 1.0
N A:VAL90 4.6 23.3 1.0
C A:GLY116 4.7 24.2 1.0
CB A:VAL90 4.7 22.2 1.0
N A:GLY116 4.8 23.2 1.0
C A:LYS115 4.8 23.4 1.0

Magnesium binding site 2 out of 4 in 5coj

Go back to Magnesium Binding Sites List in 5coj
Magnesium binding site 2 out of 4 in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg301

b:30.6
occ:1.00
 OD1 B:ASP88 2.5 24.4 1.0
OE1 B:GLU120 2.8 18.4 1.0
CG B:ASP88 3.3 20.7 1.0
O B:HOH473 3.4 32.8 1.0
OD2 B:ASP88 3.5 25.1 1.0
O B:HOH407 3.6 23.9 1.0
CA B:GLY116 3.6 18.4 1.0
CD B:GLU120 3.7 18.4 1.0
OE2 B:GLU120 3.7 17.4 1.0
CE B:LYS115 3.8 32.9 1.0
NZ B:LYS115 3.8 34.2 1.0
O B:LYS115 4.0 18.2 1.0
N B:ASN117 4.2 18.5 1.0
CG2 B:VAL90 4.3 17.2 1.0
C B:GLY116 4.3 18.6 1.0
CA B:VAL90 4.5 17.5 1.0
N B:GLY116 4.6 18.2 1.0
C B:LYS115 4.6 18.8 1.0
CB B:ASP88 4.8 17.7 1.0
N B:VAL90 4.9 17.0 1.0
CB B:VAL90 5.0 17.3 1.0

Magnesium binding site 3 out of 4 in 5coj

Go back to Magnesium Binding Sites List in 5coj
Magnesium binding site 3 out of 4 in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:35.3
occ:1.00
 OD1 C:ASP88 2.3 26.8 1.0
O C:HOH510 2.4 45.1 1.0
OE1 C:GLU120 2.8 21.0 1.0
CG C:ASP88 3.2 25.3 1.0
OD2 C:ASP88 3.4 31.6 1.0
CD C:GLU120 3.6 21.6 1.0
OE2 C:GLU120 3.6 20.9 1.0
O C:HOH515 3.7 42.8 1.0
CA C:GLY116 3.8 21.1 1.0
O C:HOH415 3.8 21.4 1.0
NZ C:LYS115 3.9 28.7 0.9
CE C:LYS115 3.9 27.6 1.0
O C:LYS115 4.0 19.4 1.0
CG2 C:VAL90 4.1 18.6 1.0
CA C:VAL90 4.3 19.7 1.0
N C:ASN117 4.4 21.5 1.0
C C:GLY116 4.5 21.2 1.0
N C:VAL90 4.6 19.7 1.0
CB C:ASP88 4.7 21.6 1.0
N C:GLY116 4.7 20.8 1.0
CB C:VAL90 4.7 19.5 1.0
C C:LYS115 4.7 20.4 1.0
C C:PRO89 5.0 20.2 1.0

Magnesium binding site 4 out of 4 in 5coj

Go back to Magnesium Binding Sites List in 5coj
Magnesium binding site 4 out of 4 in the Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Hydroxyethylthiazole Kinase Thim From Staphylococcus Aureus in Complex with Native Substrate 2-(4-Methyl-1,3-Thiazol-5- Yl)Ethanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg302

b:48.1
occ:1.00
 OD1 E:ASP88 2.4 42.9 1.0
OE1 E:GLU120 2.8 40.3 1.0
CG E:ASP88 3.3 42.1 1.0
OD2 E:ASP88 3.5 43.7 1.0
O E:HOH407 3.6 36.7 1.0
CD E:GLU120 3.6 40.1 1.0
OE2 E:GLU120 3.6 40.9 1.0
CA E:GLY116 3.8 38.2 1.0
NZ E:LYS115 3.9 46.0 1.0
CE E:LYS115 3.9 45.0 1.0
CG2 E:VAL90 4.1 38.7 1.0
O E:LYS115 4.1 38.8 1.0
CA E:VAL90 4.3 39.2 1.0
N E:ASN117 4.4 36.7 1.0
C E:GLY116 4.5 37.4 1.0
N E:VAL90 4.6 39.4 1.0
N E:GLY116 4.7 38.4 1.0
CB E:ASP88 4.7 40.6 1.0
CB E:VAL90 4.7 39.4 1.0
C E:LYS115 4.8 38.6 1.0

Reference:

J.Drebes, M.Kunz, B.Windshugel, A.G.Kikhney, I.B.Muller, R.J.Eberle, D.Oberthur, H.Cang, D.I.Svergun, M.Perbandt, C.Betzel, C.Wrenger. Structure of Thim From Vitamin B1 Biosynthetic Pathway of Staphylococcus Aureus - Insights Into A Novel Pro-Drug Approach Addressing Mrsa Infections. Sci Rep V. 6 22871 2016.
ISSN: ESSN 2045-2322
PubMed: 26960569
DOI: 10.1038/SREP22871
Page generated: Sun Sep 29 02:15:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy