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Chlorine in PDB 1i3k: 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: 1i3k 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, 89.900, 96.900, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1i3k:

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 1i3k). 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: 1i3k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1i3k

Go back to Chlorine Binding Sites List in 1i3k
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:Cl950

b:33.0
occ:1.00
 O A:HOH1257 3.1 18.1 1.0
O A:HOH1598 3.3 43.1 1.0
N A:LEU45 3.3 19.6 1.0
N A:SER44 3.6 24.5 1.0
CB A:LEU45 3.6 14.5 1.0
CA A:GLY43 3.7 25.2 1.0
CG A:LEU45 3.8 16.1 1.0
C A:GLY43 3.9 34.8 1.0
CA A:LEU45 4.0 15.8 1.0
CD1 A:LEU45 4.0 21.4 1.0
OG A:SER44 4.2 33.5 1.0
CG A:ARG50 4.2 22.1 1.0
O A:HOH1917 4.2 47.9 1.0
N A:GLY43 4.3 24.6 1.0
C A:SER44 4.4 23.9 1.0
O A:HOH1382 4.4 44.2 1.0
CD A:ARG50 4.4 20.3 1.0
CA A:SER44 4.4 31.9 1.0
O A:LEU45 4.5 16.6 1.0
CB A:ARG50 4.7 14.1 1.0
C A:LEU45 4.7 16.9 1.0
O A:GLY43 4.8 22.0 1.0
CB A:SER44 4.9 27.1 1.0

Chlorine binding site 2 out of 4 in 1i3k

Go back to Chlorine Binding Sites List in 1i3k
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:Cl951

b:30.8
occ:1.00
 O B:HOH1517 3.2 28.2 1.0
N B:LEU102 3.3 17.4 1.0
CB B:LEU102 3.4 17.0 1.0
CG B:LEU102 3.7 21.7 1.0
CD B:PRO101 3.7 17.4 1.0
C B:LYS100 3.8 28.0 1.0
CA B:LEU102 3.8 21.1 1.0
N B:PRO101 3.9 24.6 1.0
CA B:LYS100 3.9 43.4 1.0
O B:LYS100 4.2 27.6 1.0
CE A:LYS120 4.2 17.4 1.0
CD1 B:LEU102 4.2 17.9 1.0
CD A:LYS120 4.3 23.3 1.0
C B:PRO101 4.4 18.1 1.0
N B:ASP103 4.5 19.2 1.0
CG B:PRO101 4.5 28.0 1.0
O A:HOH1273 4.5 28.7 1.0
CD1 A:LEU171 4.5 31.9 1.0
CB B:LYS100 4.5 37.0 1.0
CA B:PRO101 4.5 37.6 1.0
C B:LEU102 4.7 20.6 1.0
NZ A:LYS120 4.7 21.8 1.0
O B:GLN99 4.8 46.1 1.0
CB B:PRO101 4.9 25.4 1.0

Chlorine binding site 3 out of 4 in 1i3k

Go back to Chlorine Binding Sites List in 1i3k
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:Cl952

b:37.0
occ:1.00
 O B:HOH1721 3.1 22.2 1.0
O B:HOH2003 3.3 54.5 1.0
N B:LEU45 3.7 25.3 1.0
N B:SER44 3.7 39.0 1.0
CA B:GLY43 3.7 30.6 1.0
OG B:SER44 3.8 57.9 1.0
CB B:LEU45 3.9 14.5 1.0
CG B:LEU45 4.0 18.0 1.0
C B:GLY43 4.1 29.1 1.0
CD1 B:LEU45 4.1 19.1 1.0
CG B:ARG50 4.1 22.6 1.0
CD B:ARG50 4.2 21.3 1.0
N B:GLY43 4.2 35.6 1.0
CA B:LEU45 4.4 18.0 1.0
O B:HOH2004 4.5 45.5 1.0
CB B:ARG50 4.6 17.9 1.0
CA B:SER44 4.6 41.9 1.0
C B:SER44 4.7 28.0 1.0
O B:LEU45 4.7 18.1 1.0
CB B:SER44 4.8 33.8 1.0
O B:HOH1724 4.9 34.0 1.0
C B:LEU45 5.0 21.9 1.0

Chlorine binding site 4 out of 4 in 1i3k

Go back to Chlorine Binding Sites List in 1i3k
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:Cl953

b:33.4
occ:1.00
 N B:SER81 3.3 16.6 1.0
CA B:TYR80 3.7 20.0 1.0
OE1 B:GLU3 3.7 80.5 1.0
CE B:LYS4 3.9 34.2 1.0
CD1 B:TYR80 4.0 26.7 1.0
CB B:TYR80 4.1 18.8 1.0
C B:TYR80 4.1 13.9 1.0
CG B:LYS4 4.1 23.9 1.0
CB B:SER81 4.2 18.3 0.5
CD B:LYS4 4.3 43.2 1.0
CA B:SER81 4.3 20.9 1.0
CB B:SER81 4.3 24.2 0.5
O B:SER81 4.4 19.7 1.0
O B:LYS79 4.4 26.9 1.0
CG B:TYR80 4.5 16.9 1.0
OG B:SER81 4.7 91.2 0.5
C B:SER81 4.7 16.9 1.0
NZ B:LYS4 4.8 46.2 1.0
CD B:GLU3 4.8 0.0 1.0
N B:TYR80 4.9 19.9 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 22:37:29 2024

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