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Chlorine in PDB 1i3n: 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: 1i3n 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 (°) 78.100, 90.000, 96.800, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1i3n:

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 1i3n). 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: 1i3n:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1i3n

Go back to Chlorine Binding Sites List in 1i3n
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:Cl990

b:33.9
occ:1.00
 O A:HOH1949 3.1 44.8 1.0
O A:HOH1373 3.2 17.5 1.0
N A:LEU45 3.4 18.0 1.0
N A:SER44 3.6 26.0 1.0
CA A:GLY43 3.6 26.9 1.0
CB A:LEU45 3.7 14.1 1.0
CG A:LEU45 3.8 19.6 1.0
C A:GLY43 3.9 33.8 1.0
CD1 A:LEU45 4.0 16.5 1.0
O A:HOH1379 4.1 44.8 1.0
CA A:LEU45 4.1 13.0 1.0
OG A:SER44 4.2 33.1 1.0
CG A:ARG50 4.2 23.0 1.0
N A:GLY43 4.3 29.4 1.0
CD A:ARG50 4.4 21.2 1.0
C A:SER44 4.4 24.8 1.0
CA A:SER44 4.5 30.6 1.0
O A:LEU45 4.7 15.3 1.0
O A:HOH1994 4.7 49.3 1.0
CB A:ARG50 4.8 14.5 1.0
O A:GLY43 4.8 22.3 1.0
C A:LEU45 4.9 15.2 1.0
CB A:SER44 4.9 25.6 1.0

Chlorine binding site 2 out of 4 in 1i3n

Go back to Chlorine Binding Sites List in 1i3n
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
A:Cl992

b:38.4
occ:1.00
 O A:HOH1950 3.2 55.5 1.0
N A:ASP231 3.3 28.9 1.0
CB A:ALA305 3.8 18.7 1.0
CB A:ASP231 3.9 24.9 1.0
CD1 A:TYR230 3.9 18.4 1.0
CA A:TYR230 4.1 32.0 1.0
CA A:ASP231 4.2 25.2 1.0
C A:TYR230 4.2 37.5 1.0
CB A:TYR230 4.3 17.2 1.0
NH2 A:ARG299 4.4 26.1 1.0
O A:HOH1809 4.6 66.3 1.0
CG A:TYR230 4.6 20.1 1.0
O A:HOH1451 4.8 31.3 1.0
CE1 A:TYR230 4.8 21.2 1.0
CA A:ALA305 4.9 17.2 1.0

Chlorine binding site 3 out of 4 in 1i3n

Go back to Chlorine Binding Sites List in 1i3n
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:26.8
occ:1.00
 O A:HOH1438 2.9 42.3 1.0
NZ A:LYS120 3.0 51.7 0.5
O A:HOH1641 3.1 28.7 1.0
N B:LEU102 3.3 15.4 1.0
CB B:LEU102 3.5 17.2 1.0
CG B:LEU102 3.7 18.4 1.0
C B:LYS100 3.8 24.1 1.0
CA B:LEU102 3.8 18.5 1.0
CD B:PRO101 3.8 14.2 1.0
N B:PRO101 3.9 24.7 1.0
CA B:LYS100 4.0 35.0 1.0
CE A:LYS120 4.1 36.9 0.5
CE A:LYS120 4.1 6.6 0.5
CD1 B:LEU102 4.2 15.9 1.0
CD A:LYS120 4.2 23.4 0.5
O B:LYS100 4.2 24.5 1.0
CD A:LYS120 4.3 14.7 0.5
CD1 A:LEU171 4.3 36.6 1.0
C B:PRO101 4.3 19.4 1.0
N B:ASP103 4.5 17.9 1.0
CB B:LYS100 4.5 44.4 1.0
O A:HOH1439 4.5 32.0 1.0
CA B:PRO101 4.5 24.3 1.0
NZ A:LYS120 4.6 8.7 0.5
C B:LEU102 4.7 18.3 1.0
O B:HOH1474 4.7 50.5 1.0
CG B:PRO101 4.7 22.4 1.0
O B:GLN99 4.9 98.8 1.0
O A:HOH1158 4.9 24.1 1.0
CB B:PRO101 5.0 25.7 1.0

Chlorine binding site 4 out of 4 in 1i3n

Go back to Chlorine Binding Sites List in 1i3n
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:Cl993

b:32.4
occ:1.00
 O B:HOH1951 3.1 57.2 1.0
O B:HOH1611 3.2 20.6 1.0
O B:HOH1952 3.3 46.0 1.0
N B:SER44 3.6 33.9 1.0
N B:LEU45 3.6 27.1 1.0
CG B:ARG50 3.7 33.2 1.0
OG B:SER44 3.7 57.7 1.0
CB B:LEU45 3.7 13.6 1.0
CA B:GLY43 3.8 37.4 1.0
CG B:LEU45 3.9 17.5 1.0
C B:GLY43 4.1 24.6 1.0
CD1 B:LEU45 4.1 16.8 1.0
CD B:ARG50 4.2 18.4 1.0
CA B:LEU45 4.3 19.8 1.0
N B:GLY43 4.3 32.1 1.0
CA B:SER44 4.5 62.0 1.0
O B:HOH1612 4.5 40.6 1.0
C B:SER44 4.5 28.7 1.0
O B:LEU45 4.7 18.1 1.0
CB B:SER44 4.7 38.2 1.0
C B:LEU45 4.9 21.4 1.0
CB B:ARG50 5.0 19.0 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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