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Magnesium in PDB 4mgh: Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis

Enzymatic activity of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis

All present enzymatic activity of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis:
6.3.5.3;

Protein crystallography data

The structure of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis, PDB code: 4mgh was solved by A.S.Tanwar, V.D.Goyal, D.Choudhary, S.Panjikar, R.Anand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 2.65
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 146.448, 146.448, 141.687, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 20.3

Other elements in 4mgh:

The structure of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Xenon (Xe) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis (pdb code 4mgh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis, PDB code: 4mgh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4mgh

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Magnesium binding site 1 out of 4 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1302

b:15.7
occ:1.00
 OD1 A:ASP884 2.1 15.6 1.0
OD1 A:ASN722 2.1 12.7 1.0
O A:HOH1904 2.1 10.1 1.0
O2B A:ADP1301 2.2 8.0 1.0
OD1 A:ASP679 2.3 13.0 1.0
CG A:ASP884 2.9 15.1 1.0
CG A:ASN722 3.1 13.0 1.0
OD2 A:ASP884 3.1 16.0 1.0
PB A:ADP1301 3.2 8.3 1.0
CG A:ASP679 3.3 13.3 1.0
ND2 A:ASN722 3.4 12.1 1.0
O1B A:ADP1301 3.7 8.2 1.0
O3B A:ADP1301 3.8 8.1 1.0
OG A:SER886 3.8 17.5 1.0
CB A:ASP679 4.1 12.7 1.0
OD2 A:ASP679 4.2 12.9 1.0
O A:HOH1906 4.2 20.4 1.0
CB A:ASP884 4.3 14.2 1.0
OE2 A:GLU718 4.4 16.3 1.0
O A:ASP884 4.4 14.2 1.0
CB A:ASN722 4.4 14.0 1.0
O3A A:ADP1301 4.5 8.1 1.0
CA A:ASP679 4.6 12.6 1.0
CB A:SER886 4.6 15.5 1.0
NE2 A:HIS883 4.7 11.0 1.0
CA A:ASN722 4.7 14.4 1.0
C A:ASP884 4.7 14.3 1.0
CD2 A:HIS883 4.7 11.7 1.0
N A:ASP884 4.8 14.0 1.0
CA A:ASP884 4.8 14.2 1.0

Magnesium binding site 2 out of 4 in 4mgh

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Magnesium binding site 2 out of 4 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1303

b:15.2
occ:1.00
 O A:HOH1833 1.9 8.9 1.0
OE2 A:GLU718 2.0 16.3 1.0
O A:HOH1479 2.1 9.7 1.0
O A:HOH1460 2.2 13.0 1.0
O1B A:ADP1301 2.3 8.2 1.0
CD A:GLU718 2.9 15.2 1.0
OE1 A:GLU718 3.2 15.9 1.0
PB A:ADP1301 3.7 8.3 1.0
O A:HOH1787 3.9 28.8 1.0
OE1 A:GLU699 4.0 23.4 1.0
O3B A:ADP1301 4.0 8.1 1.0
OD2 A:ASP887 4.2 15.6 1.0
CG A:GLU718 4.3 14.9 1.0
O A:ILE697 4.3 11.1 1.0
O A:GLU699 4.3 21.0 1.0
ND2 A:ASN722 4.4 12.1 1.0
O1A A:ADP1301 4.5 8.3 1.0
O3A A:ADP1301 4.6 8.1 1.0
CB A:SER886 4.7 15.5 1.0
OG A:SER886 4.7 17.5 1.0
N A:GLU699 4.8 16.3 1.0
O2B A:ADP1301 4.9 8.0 1.0
CA A:GLY698 4.9 14.6 1.0
CB A:TYR388 4.9 13.1 1.0
CB A:GLU699 5.0 19.2 1.0

Magnesium binding site 3 out of 4 in 4mgh

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Magnesium binding site 3 out of 4 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1304

b:16.3
occ:1.00
 O A:HOH1899 2.0 12.9 1.0
O3B A:ADP1301 2.0 8.1 1.0
O2A A:ADP1301 2.1 7.8 1.0
O A:HOH1698 2.3 7.9 1.0
O A:HOH1448 2.4 6.3 1.0
PB A:ADP1301 3.2 8.3 1.0
PA A:ADP1301 3.3 8.5 1.0
O3A A:ADP1301 3.6 8.1 1.0
OE1 A:GLU896 3.7 13.2 1.0
O A:HOH1414 3.8 20.5 1.0
O2B A:ADP1301 3.9 8.0 1.0
O A:HOH1904 3.9 10.1 1.0
OG A:SER886 4.0 17.5 1.0
OE2 A:GLU896 4.0 13.9 1.0
O A:HOH1906 4.1 20.4 1.0
O A:HOH1479 4.2 9.7 1.0
O1A A:ADP1301 4.3 8.3 1.0
CD A:GLU896 4.3 13.1 1.0
O A:HOH1717 4.3 14.7 1.0
O1B A:ADP1301 4.5 8.2 1.0
O5' A:ADP1301 4.5 9.1 1.0
O A:VAL646 4.6 14.4 1.0
C5' A:ADP1301 4.7 9.2 1.0
O A:THR645 4.9 11.8 1.0
O A:ASP887 4.9 13.2 1.0

Magnesium binding site 4 out of 4 in 4mgh

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Magnesium binding site 4 out of 4 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1305

b:2.8
occ:1.00
 OH A:TYR251 3.6 13.8 1.0
CZ A:TYR251 3.8 13.7 1.0
CE1 A:TYR251 4.0 13.5 1.0
OD2 A:ASP250 4.3 21.9 1.0
CE2 A:TYR251 4.5 14.2 1.0
CB A:ASP250 4.8 18.5 1.0
CD1 A:TYR251 4.8 13.3 1.0
OD2 A:ASP730 5.0 14.1 1.0

Reference:

A.S.Tanwar, V.D.Goyal, D.Choudhary, S.Panjikar, R.Anand. Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis Plos One V. 8 77781 2013.
ISSN: ESSN 1932-6203
PubMed: 24223728
DOI: 10.1371/JOURNAL.PONE.0077781
Page generated: Mon Aug 19 23:12:39 2024

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