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Magnesium in PDB 2xz9: Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts)

Enzymatic activity of Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts)

All present enzymatic activity of Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts):
2.7.3.9;

Protein crystallography data

The structure of Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts), PDB code: 2xz9 was solved by A.E.Oberholzer, S.M.Waltersperger, P.Schneider, U.Baumann, B.Erni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.187 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.113, 79.525, 156.750, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.16

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts) (pdb code 2xz9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts), PDB code: 2xz9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2xz9

Go back to Magnesium Binding Sites List in 2xz9
Magnesium binding site 1 out of 2 in the Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:20.3
occ:1.00
 OE1 A:GLU431 2.2 29.3 1.0
OD2 A:ASP455 2.3 25.2 1.0
O A:HOH2259 2.4 42.1 1.0
O3 A:PYR6450 2.4 32.2 0.8
O A:HOH2071 2.5 44.7 1.0
O2 A:PYR6450 2.5 24.9 0.8
O A:HOH2073 2.6 32.9 1.0
CG A:ASP455 3.3 30.0 1.0
C2 A:PYR6450 3.3 29.3 0.8
CD A:GLU431 3.3 31.9 1.0
C1 A:PYR6450 3.3 21.7 0.8
OE2 A:GLU431 3.7 24.7 1.0
CB A:ASP455 3.8 18.5 1.0
OD2 A:ASP335 3.9 37.6 1.0
O A:HOH2260 3.9 39.6 1.0
O A:HOH2224 3.9 49.9 1.0
O A:HOH2258 4.1 39.5 1.0
CE A:MET429 4.2 20.5 0.6
NH1 A:ARG332 4.2 23.8 1.0
OD1 A:ASP455 4.2 36.6 1.0
O A:HOH2100 4.5 38.8 1.0
CG A:GLU431 4.5 17.9 1.0
O1 A:PYR6450 4.6 18.0 0.8
C3 A:PYR6450 4.7 20.4 0.8
CB A:GLU431 4.7 18.5 1.0
CE A:MET429 4.8 22.4 0.4
O A:HOH2069 4.8 25.5 1.0
CG A:ASP335 4.9 30.8 1.0
N A:ASP455 5.0 17.4 1.0
OD1 A:ASP335 5.0 30.0 1.0
CA A:ASP455 5.0 16.0 1.0

Magnesium binding site 2 out of 2 in 2xz9

Go back to Magnesium Binding Sites List in 2xz9
Magnesium binding site 2 out of 2 in the Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure From the Phosphoenolpyruvate-Binding Domain of Enzyme I in Complex with Pyruvate From the Thermoanaerobacter Tengcongensis Pep-Sugar Phosphotransferase System (Pts) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1

b:26.1
occ:1.00
 OE1 B:GLU431 2.3 35.7 1.0
OD2 B:ASP455 2.3 26.0 1.0
O B:HOH2128 2.4 32.6 1.0
O B:HOH2053 2.5 41.7 1.0
O3 B:PYR6450 2.5 35.1 0.7
O B:HOH2052 2.6 44.7 1.0
O2 B:PYR6450 2.6 28.2 0.7
C2 B:PYR6450 3.3 31.5 0.7
CG B:ASP455 3.3 28.4 1.0
CD B:GLU431 3.4 36.8 1.0
C1 B:PYR6450 3.4 26.8 0.7
O B:HOH2264 3.5 51.7 1.0
OE2 B:GLU431 3.8 31.3 1.0
CE B:MET429 3.8 42.5 1.0
CB B:ASP455 3.9 21.6 1.0
O B:HOH2156 3.9 34.5 1.0
OD2 B:ASP335 4.0 44.6 1.0
NH1 B:ARG332 4.1 26.7 1.0
OD1 B:ASP455 4.3 35.7 1.0
OD1 B:ASP335 4.5 36.2 1.0
O B:HOH2164 4.6 47.4 1.0
CG B:GLU431 4.6 27.1 1.0
O1 B:PYR6450 4.6 19.8 0.7
CG B:ASP335 4.7 33.7 1.0
C3 B:PYR6450 4.8 28.4 0.7
CB B:GLU431 4.8 23.7 1.0
O B:HOH2050 4.8 28.9 1.0

Reference:

V.Navdaeva, A.Zurbriggen, S.M.Waltersperger, P.Schneider, A.E.Oberholzer, P.Bahler, C.Bachler, A.Grieder, U.Baumann, B.Erni. Phosphoenolpyruvate: Sugar Phosphotransferase System From the Hyperthermophilic Thermoanaerobacter Tengcongensis. Biochemistry V. 50 1184 2011.
ISSN: ISSN 0006-2960
PubMed: 21250658
DOI: 10.1021/BI101721F
Page generated: Wed Aug 14 07:21:24 2024

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