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Magnesium in PDB 2ihu: Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex

Enzymatic activity of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex

All present enzymatic activity of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex:
2.5.1.66;

Protein crystallography data

The structure of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex, PDB code: 2ihu was solved by M.E.Caines, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.13 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 119.691, 127.863, 197.150, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20.1

Other elements in 2ihu:

The structure of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex also contains other interesting chemical elements:

Potassium (K) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex (pdb code 2ihu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex, PDB code: 2ihu:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2ihu

Go back to Magnesium Binding Sites List in 2ihu
Magnesium binding site 1 out of 4 in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:8.1
occ:1.00
O1A A:TP9600 2.1 20.0 1.0
O3B A:TP9600 2.2 21.3 1.0
OD1 A:ASP463 2.2 18.0 1.0
OD1 A:ASN490 2.2 23.6 1.0
O A:THR492 2.3 20.9 1.0
O A:HOH1755 2.4 21.5 1.0
CG A:ASP463 3.2 17.5 1.0
PA A:TP9600 3.4 20.0 1.0
CG A:ASN490 3.4 23.7 1.0
C A:THR492 3.5 21.1 1.0
PB A:TP9600 3.5 22.1 1.0
OD2 A:ASP463 3.7 17.3 1.0
O3A A:TP9600 3.7 20.5 1.0
N A:GLY494 4.0 20.4 1.0
N A:ASN490 4.0 22.1 1.0
N A:ASP463 4.0 17.5 1.0
N A:THR492 4.0 21.5 1.0
O7 A:TP9600 4.1 21.3 1.0
O1B A:TP9600 4.2 23.4 1.0
CA A:THR492 4.3 21.4 1.0
ND2 A:ASN490 4.3 24.1 1.0
N A:GLY464 4.3 17.0 1.0
O A:VAL488 4.4 20.8 1.0
CB A:ASN490 4.4 22.4 1.0
CB A:ASP463 4.5 17.1 1.0
N A:ASN493 4.5 20.7 1.0
CA A:ASN490 4.5 22.4 1.0
O2A A:TP9600 4.6 17.8 1.0
C A:ASN490 4.7 22.1 1.0
CB A:THR492 4.7 21.7 1.0
O2B A:TP9600 4.7 21.1 1.0
CA A:ASN493 4.7 20.4 1.0
CA A:GLY494 4.7 20.3 1.0
CA A:ASP463 4.7 17.3 1.0
N A:ASP491 4.7 22.2 1.0
C A:GLY462 4.8 17.9 1.0
CA A:GLY462 4.8 17.5 1.0
C A:ASN493 4.9 20.1 1.0

Magnesium binding site 2 out of 4 in 2ihu

Go back to Magnesium Binding Sites List in 2ihu
Magnesium binding site 2 out of 4 in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:11.3
occ:1.00
O B:HOH868 2.2 26.6 1.0
O3B B:TP9600 2.2 24.5 1.0
O1A B:TP9600 2.2 21.3 1.0
OD1 B:ASN490 2.2 25.5 1.0
O B:THR492 2.3 21.4 1.0
OD1 B:ASP463 2.3 19.1 1.0
CG B:ASP463 3.3 17.9 1.0
PA B:TP9600 3.4 21.5 1.0
PB B:TP9600 3.4 22.4 1.0
C B:THR492 3.5 21.6 1.0
CG B:ASN490 3.5 24.4 1.0
O3A B:TP9600 3.6 23.5 1.0
OD2 B:ASP463 3.7 17.8 1.0
N B:THR492 4.0 22.4 1.0
N B:GLY494 4.0 20.8 1.0
N B:ASP463 4.0 17.1 1.0
O1B B:TP9600 4.1 24.2 1.0
N B:ASN490 4.1 22.5 1.0
O7 B:TP9600 4.1 22.9 1.0
CA B:THR492 4.2 22.0 1.0
ND2 B:ASN490 4.3 24.6 1.0
N B:GLY464 4.3 16.6 1.0
N B:ASN493 4.5 21.2 1.0
O B:VAL488 4.5 21.2 1.0
CB B:ASN490 4.5 23.1 1.0
CB B:ASP463 4.5 16.9 1.0
CB B:THR492 4.6 22.2 1.0
OH B:TYR561 4.6 33.6 1.0
CA B:ASN490 4.6 22.9 1.0
O2B B:TP9600 4.6 24.3 1.0
CA B:GLY494 4.6 21.0 1.0
O2A B:TP9600 4.7 21.6 1.0
CA B:ASN493 4.7 21.0 1.0
CA B:ASP463 4.7 17.2 1.0
C B:ASN490 4.7 22.6 1.0
CA B:GLY462 4.8 16.9 1.0
N B:ASP491 4.8 22.8 1.0
C B:GLY462 4.8 17.2 1.0
C B:ASN493 4.9 20.8 1.0
CE2 B:TYR561 4.9 33.9 1.0

Magnesium binding site 3 out of 4 in 2ihu

Go back to Magnesium Binding Sites List in 2ihu
Magnesium binding site 3 out of 4 in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:11.0
occ:1.00
O3B C:TP9600 2.0 25.2 0.5
O1A C:TP9600 2.2 15.8 0.5
O C:THR492 2.2 22.0 1.0
OD1 C:ASN490 2.3 24.0 1.0
OD1 C:ASP463 2.3 18.8 1.0
O1A C:TP9600 2.3 22.9 0.5
O C:HOH1733 2.4 23.9 1.0
O3B C:TP9600 2.5 17.3 0.5
CG C:ASP463 3.3 17.3 1.0
PB C:TP9600 3.4 25.4 0.5
PA C:TP9600 3.4 15.7 0.5
C C:THR492 3.4 22.0 1.0
CG C:ASN490 3.4 24.1 1.0
PA C:TP9600 3.5 23.2 0.5
O3A C:TP9600 3.7 16.4 0.5
PB C:TP9600 3.7 16.9 0.5
O3A C:TP9600 3.7 24.2 0.5
OD2 C:ASP463 3.8 17.4 1.0
O7 C:TP9600 3.9 16.6 0.5
N C:THR492 4.0 22.2 1.0
N C:GLY494 4.0 20.6 1.0
N C:ASP463 4.1 17.2 1.0
O1B C:TP9600 4.1 24.6 0.5
O7 C:TP9600 4.1 23.4 0.5
N C:ASN490 4.1 23.0 1.0
CA C:THR492 4.2 22.1 1.0
ND2 C:ASN490 4.2 24.6 1.0
N C:GLY464 4.3 17.4 1.0
N C:ASN493 4.4 21.6 1.0
CB C:ASN490 4.5 23.3 1.0
O1B C:TP9600 4.5 15.7 0.5
O C:VAL488 4.5 21.2 1.0
O2B C:TP9600 4.5 25.0 0.5
CB C:ASP463 4.5 17.1 1.0
CB C:THR492 4.6 22.2 1.0
CA C:ASN493 4.6 21.0 1.0
CA C:ASN490 4.6 23.1 1.0
OH C:TYR561 4.6 33.3 1.0
O2A C:TP9600 4.7 15.3 0.5
C C:ASN490 4.7 23.1 1.0
CA C:ASP463 4.7 17.4 1.0
CE2 C:TYR561 4.7 33.5 1.0
CA C:GLY494 4.7 20.5 1.0
N C:ASP491 4.8 23.1 1.0
O2A C:TP9600 4.8 23.2 0.5
CA C:GLY462 4.8 17.1 1.0
C C:GLY462 4.8 17.3 1.0
O2B C:TP9600 4.8 16.4 0.5
C C:ASN493 4.9 20.9 1.0

Magnesium binding site 4 out of 4 in 2ihu

Go back to Magnesium Binding Sites List in 2ihu
Magnesium binding site 4 out of 4 in the Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Carboxyethylarginine Synthase From Streptomyces Clavuligerus: Putative Reaction Intermediate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:13.0
occ:1.00
O D:HOH827 2.0 23.4 1.0
OD1 D:ASN490 2.2 25.5 1.0
O3B D:TP9600 2.3 26.6 1.0
O D:THR492 2.3 22.5 1.0
O1A D:TP9600 2.3 25.8 1.0
OD1 D:ASP463 2.4 18.5 1.0
CG D:ASP463 3.4 18.1 1.0
CG D:ASN490 3.4 24.7 1.0
PA D:TP9600 3.4 25.8 1.0
C D:THR492 3.4 22.4 1.0
PB D:TP9600 3.5 27.0 1.0
O3A D:TP9600 3.6 26.0 1.0
OD2 D:ASP463 3.9 17.6 1.0
N D:THR492 4.0 23.0 1.0
N D:ASP463 4.1 17.7 1.0
N D:GLY494 4.1 21.4 1.0
N D:ASN490 4.1 23.4 1.0
O7 D:TP9600 4.1 27.4 1.0
ND2 D:ASN490 4.2 26.0 1.0
CA D:THR492 4.2 22.6 1.0
N D:GLY464 4.3 17.9 1.0
O1B D:TP9600 4.3 26.1 1.0
CB D:ASN490 4.4 23.6 1.0
N D:ASN493 4.5 22.2 1.0
O D:VAL488 4.5 21.6 1.0
CA D:ASN490 4.6 23.2 1.0
CB D:ASP463 4.6 17.5 1.0
CB D:THR492 4.6 22.9 1.0
CA D:ASN493 4.7 21.9 1.0
O2B D:TP9600 4.7 27.7 1.0
C D:ASN490 4.7 23.4 1.0
O2A D:TP9600 4.7 27.0 1.0
CA D:GLY494 4.7 21.4 1.0
CA D:ASP463 4.7 17.7 1.0
N D:ASP491 4.8 23.1 1.0
C D:GLY462 4.8 18.0 1.0
CA D:GLY462 4.8 17.8 1.0
OH D:TYR561 4.9 34.5 1.0
C D:ASN493 4.9 21.6 1.0
CE2 D:TYR561 4.9 33.9 1.0

Reference:

M.E.Caines, J.L.Sorensen, C.J.Schofield. Structural and Mechanistic Studies on N(2)-(2-Carboxyethyl)Arginine Synthase. Biochem.Biophys.Res.Commun. V. 385 512 2009.
ISSN: ISSN 0006-291X
PubMed: 19477162
DOI: 10.1016/J.BBRC.2009.05.095
Page generated: Mon Dec 14 07:27:20 2020

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