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Xenon 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:

Magnesium (Mg) 4 atoms
Manganese (Mn) 1 atom

Xenon Binding Sites:

The binding sites of Xenon 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 Xenon atom.
In total 4 binding sites of Xenon 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 Xenon binding site number: 1; 2; 3; 4;

Xenon binding site 1 out of 4 in 4mgh

Go back to Xenon Binding Sites List in 4mgh
Xenon 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 Xenon with other atoms in the Xe 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:Xe1324

b:15.9
occ:1.00
O A:LEU1088 3.7 16.9 1.0
CZ A:PHE1060 3.8 12.8 1.0
CE1 A:PHE1060 3.9 13.3 1.0
N A:LEU1132 4.0 15.0 1.0
O A:LEU1130 4.0 15.5 1.0
CB A:LEU1130 4.0 14.4 1.0
C A:LEU1130 4.0 15.4 1.0
CA A:ALA1131 4.0 15.1 1.0
C A:ALA1131 4.1 15.3 1.0
CB A:LEU1132 4.1 14.7 1.0
N A:ALA1131 4.1 15.2 1.0
CB A:ALA1087 4.2 15.5 1.0
CD1 A:LEU1181 4.4 23.4 1.0
N A:LEU1088 4.4 18.2 1.0
C A:LEU1088 4.5 17.7 1.0
CB A:ALA1290 4.6 13.3 1.0
CA A:LEU1130 4.7 15.3 1.0
CA A:LEU1132 4.7 14.4 1.0
CD2 A:LEU1181 4.7 22.3 1.0
O A:ALA1131 4.7 16.4 1.0
CA A:ALA1087 4.8 15.9 1.0
C A:ALA1087 5.0 16.8 1.0
CD1 A:LEU1130 5.0 14.1 1.0

Xenon binding site 2 out of 4 in 4mgh

Go back to Xenon Binding Sites List in 4mgh
Xenon 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 Xenon with other atoms in the Xe 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:Xe1325

b:21.6
occ:0.46
OG1 A:THR683 3.5 12.4 1.0
O A:GLU693 3.6 14.4 1.0
CD1 A:ILE417 3.7 19.4 1.0
CE A:MET695 3.8 15.3 1.0
CG A:MET695 3.8 13.2 1.0
CG2 A:THR683 3.9 11.7 1.0
N A:THR683 3.9 11.1 1.0
O A:ALA681 3.9 13.4 1.0
C A:ALA681 4.0 12.6 1.0
SD A:MET695 4.0 14.5 1.0
CA A:ALA694 4.0 14.0 1.0
CB A:ALA681 4.0 12.9 1.0
N A:MET695 4.0 12.1 1.0
CA A:VAL682 4.0 11.7 1.0
C A:GLU693 4.0 14.0 1.0
C A:ALA694 4.1 12.8 1.0
C A:VAL682 4.1 11.6 1.0
N A:VAL682 4.1 11.9 1.0
CB A:THR683 4.2 11.7 1.0
CB A:MET695 4.3 12.6 1.0
N A:ALA694 4.3 14.3 1.0
CB A:ALA330 4.5 15.1 1.0
CB A:GLU693 4.6 14.4 1.0
CD1 A:LEU385 4.6 12.6 1.0
O A:ALA694 4.6 12.4 1.0
CG1 A:ILE417 4.7 18.0 1.0
CA A:THR683 4.7 11.3 1.0
CA A:ALA681 4.7 12.6 1.0
CA A:MET695 4.8 12.1 1.0
O A:VAL682 4.9 11.5 1.0
CA A:GLU693 4.9 14.2 1.0

Xenon binding site 3 out of 4 in 4mgh

Go back to Xenon Binding Sites List in 4mgh
Xenon 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 Xenon with other atoms in the Xe 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:Xe1326

b:29.2
occ:0.86
CE2 A:PHE194 3.8 23.1 1.0
CD1 A:PHE209 3.8 20.4 1.0
CD2 A:LEU190 3.9 18.9 1.0
CZ A:PHE194 3.9 23.3 1.0
CD1 A:LEU600 4.1 20.7 1.0
CA A:LEU605 4.2 26.2 1.0
CD1 A:LEU605 4.2 29.5 1.0
CG1 A:VAL604 4.3 25.6 1.0
O A:VAL604 4.4 22.1 1.0
CG A:PHE209 4.4 20.5 1.0
CB A:PHE209 4.4 21.2 1.0
CE1 A:PHE209 4.5 19.8 1.0
CD2 A:LEU600 4.5 22.2 1.0
N A:LEU605 4.7 24.7 1.0
C A:VAL604 4.7 23.9 1.0
O A:GLU205 4.9 20.1 1.0
CB A:LEU605 4.9 28.0 1.0
O A:LEU605 4.9 23.0 1.0
CD2 A:PHE194 4.9 24.2 1.0
CG A:LEU600 4.9 21.2 1.0

Xenon binding site 4 out of 4 in 4mgh

Go back to Xenon Binding Sites List in 4mgh
Xenon 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 Xenon with other atoms in the Xe 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:Xe1327

b:24.6
occ:0.72
CG A:LYS878 3.6 24.0 1.0
C A:ALA938 3.8 20.6 1.0
O A:ALA938 3.8 22.7 1.0
N A:VAL939 3.9 19.6 1.0
CB A:ALA938 4.0 19.9 1.0
O A:HOH1907 4.0 7.0 1.0
CD1 A:LEU942 4.0 23.9 1.0
CG2 A:VAL939 4.1 18.7 1.0
CD2 A:LEU873 4.1 16.7 1.0
CA A:VAL939 4.1 19.0 1.0
CB A:LEU942 4.4 22.8 1.0
CA A:ALA938 4.5 21.0 1.0
CE A:LYS878 4.5 27.4 1.0
CB A:LYS878 4.6 21.7 1.0
NZ A:LYS878 4.6 28.9 1.0
CD A:LYS878 4.7 26.9 1.0
CB A:VAL939 4.8 18.7 1.0
CG A:LEU942 4.8 23.9 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: Wed Dec 16 02:40:05 2020

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