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Chlorine in PDB 1i3m: Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase

Enzymatic activity of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase

All present enzymatic activity of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase:
5.1.3.2;

Protein crystallography data

The structure of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase, PDB code: 1i3m was solved by J.B.Thoden, T.M.Wohlers, J.L.Fridovich-Keil, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.900, 89.900, 96.900, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1i3m:

The structure of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase (pdb code 1i3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase, PDB code: 1i3m:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1i3m

Go back to Chlorine Binding Sites List in 1i3m
Chlorine binding site 1 out of 4 in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl993

b:29.4
occ:1.00
 O A:HOH1542 2.8 48.3 1.0
O A:HOH1902 2.8 47.9 1.0
N A:SER81 3.2 15.6 1.0
CA A:TYR80 3.6 13.7 1.0
NZ A:LYS4 3.6 54.1 1.0
CG A:LYS4 3.8 30.1 1.0
CD1 A:TYR80 3.8 22.6 1.0
CB A:TYR80 3.9 14.5 1.0
C A:TYR80 3.9 18.5 1.0
O A:HOH1543 4.0 36.5 1.0
CA A:SER81 4.1 11.4 1.0
CB A:SER81 4.2 14.8 1.0
O A:SER81 4.2 15.4 1.0
O A:HOH1833 4.3 41.0 1.0
CG A:TYR80 4.4 13.3 1.0
OG A:SER81 4.4 25.0 1.0
C A:SER81 4.5 10.6 1.0
CE A:LYS4 4.6 33.2 1.0
O A:ALA2 4.6 57.8 1.0
O A:LYS79 4.6 18.7 1.0
CD A:LYS4 4.6 27.3 1.0
CE1 A:TYR80 4.8 15.1 1.0
N A:TYR80 4.9 12.8 1.0
CB A:LYS4 4.9 25.5 1.0

Chlorine binding site 2 out of 4 in 1i3m

Go back to Chlorine Binding Sites List in 1i3m
Chlorine binding site 2 out of 4 in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl990

b:28.4
occ:1.00
 OD2 B:ASP246 2.7 14.1 1.0
O B:LEU324 2.8 20.0 1.0
N B:HIS243 2.9 15.3 1.0
CB B:HIS243 3.2 12.6 1.0
CA B:HIS243 3.6 14.1 1.0
CB B:ALA322 3.7 12.5 1.0
CG2 B:THR271 3.7 12.8 1.0
CG1 B:ILE242 3.7 15.0 1.0
C B:LEU324 3.8 18.9 1.0
CG B:ASP246 3.8 11.5 1.0
C B:ILE242 3.8 9.5 1.0
CE B:MET329 3.9 17.5 1.0
CA B:ILE242 3.9 11.9 1.0
N B:LEU324 4.0 19.6 1.0
CB B:ASP246 4.1 15.6 1.0
CA B:LEU324 4.2 13.6 1.0
CB B:LEU324 4.2 17.8 1.0
O B:HIS243 4.4 12.3 1.0
O B:HOH1274 4.4 32.5 1.0
CB B:ILE242 4.4 8.6 1.0
C B:HIS243 4.5 11.7 1.0
SD B:MET329 4.6 18.5 1.0
CG B:HIS243 4.6 22.9 1.0
CA B:ALA322 4.6 10.8 1.0
CD1 B:ILE242 4.7 23.4 1.0
C B:ALA322 4.8 22.8 1.0
CG B:MET329 4.8 12.9 1.0
O B:TYR241 4.8 14.1 1.0
N B:ALA323 4.8 18.5 1.0
OD1 B:ASP246 4.9 12.2 1.0
N B:GLY325 5.0 15.2 1.0

Chlorine binding site 3 out of 4 in 1i3m

Go back to Chlorine Binding Sites List in 1i3m
Chlorine binding site 3 out of 4 in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl991

b:33.6
occ:1.00
 OE2 B:GLU3 3.2 70.3 1.0
N B:SER81 3.3 18.5 1.0
CA B:TYR80 3.7 18.8 1.0
CD B:GLU3 3.9 0.0 1.0
CE B:LYS4 3.9 37.0 1.0
CD1 B:TYR80 3.9 22.3 1.0
CG B:LYS4 3.9 27.4 1.0
OE1 B:GLU3 3.9 84.0 1.0
C B:TYR80 4.0 12.9 1.0
CB B:TYR80 4.0 18.8 1.0
CB B:SER81 4.2 21.3 1.0
CA B:SER81 4.3 27.9 1.0
CD B:LYS4 4.3 39.6 1.0
O B:SER81 4.4 19.2 1.0
O B:LYS79 4.4 29.7 1.0
CG B:TYR80 4.5 15.8 1.0
NZ B:LYS4 4.5 96.3 1.0
O B:HOH1525 4.6 61.6 1.0
C B:SER81 4.7 17.3 1.0
N B:TYR80 4.9 19.6 1.0
CE1 B:TYR80 5.0 18.2 1.0

Chlorine binding site 4 out of 4 in 1i3m

Go back to Chlorine Binding Sites List in 1i3m
Chlorine binding site 4 out of 4 in the Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Molecular Basis For Severe Epimerase-Deficiency Galactosemia: X-Ray Structure of the Human V94M- Substituted Udp-Galactose 4-Epimerase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl992

b:36.0
occ:1.00
 O B:HOH1668 3.1 20.8 1.0
N B:SER44 3.6 42.5 1.0
N B:LEU45 3.6 29.4 1.0
CA B:GLY43 3.7 28.9 1.0
CB B:LEU45 3.7 14.1 1.0
OG B:SER44 3.8 77.0 1.0
CG B:LEU45 3.9 16.1 1.0
C B:GLY43 4.0 27.4 1.0
CG B:ARG50 4.0 20.6 1.0
CD1 B:LEU45 4.1 19.9 1.0
CD B:ARG50 4.2 19.8 1.0
CA B:LEU45 4.2 23.6 1.0
N B:GLY43 4.2 42.8 1.0
CA B:SER44 4.5 57.4 1.0
C B:SER44 4.6 26.8 1.0
O B:LEU45 4.6 21.0 1.0
O B:HOH1540 4.6 47.7 1.0
CB B:ARG50 4.6 19.0 1.0
O B:HOH1586 4.8 34.7 1.0
CB B:SER44 4.8 34.8 1.0
C B:LEU45 4.9 22.0 1.0
O B:GLY43 5.0 34.0 1.0

Reference:

J.B.Thoden, T.M.Wohlers, J.L.Fridovich-Keil, H.M.Holden. Molecular Basis For Severe Epimerase Deficiency Galactosemia. X-Ray Structure of the Human V94M-Substituted Udp-Galactose 4-Epimerase. J.Biol.Chem. V. 276 20617 2001.
ISSN: ISSN 0021-9258
PubMed: 11279193
DOI: 10.1074/JBC.M101304200
Page generated: Fri Jul 19 22:38:28 2024

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