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Chlorine in PDB 1i3l: 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: 1i3l 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, 89.800, 97.000, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1i3l:

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 1i3l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 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: 1i3l:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1i3l

Go back to Chlorine Binding Sites List in 1i3l
Chlorine binding site 1 out of 3 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:28.0
occ:1.00
 O B:HOH1421 2.9 23.2 1.0
NZ B:LYS120 3.2 19.2 0.5
N A:LEU102 3.2 14.5 1.0
O B:HOH1183 3.4 25.6 1.0
CB A:LEU102 3.5 17.6 1.0
CD A:PRO101 3.6 12.1 1.0
N A:PRO101 3.6 15.6 1.0
C A:LYS100 3.7 17.3 1.0
CG A:LEU102 3.7 17.8 1.0
CA A:LYS100 3.8 21.4 1.0
CA A:LEU102 3.8 15.4 1.0
CE B:LYS120 3.9 38.3 0.5
CG A:PRO101 4.1 15.8 1.0
CE B:LYS120 4.1 8.3 0.5
CD1 A:LEU102 4.1 17.6 1.0
C A:PRO101 4.2 11.3 1.0
O A:LYS100 4.3 15.3 1.0
CD B:LYS120 4.3 11.7 0.5
CA A:PRO101 4.3 20.4 1.0
CD1 B:LEU171 4.4 15.2 1.0
N A:ASP103 4.4 17.0 1.0
CD B:LYS120 4.5 24.9 0.5
CB A:LYS100 4.5 39.5 1.0
NZ B:LYS120 4.5 17.9 0.5
O A:GLN99 4.5 30.1 1.0
C A:LEU102 4.6 22.8 1.0
CB A:PRO101 4.8 12.0 1.0
N A:LYS100 4.9 15.2 1.0
O B:HOH1448 4.9 34.9 1.0

Chlorine binding site 2 out of 3 in 1i3l

Go back to Chlorine Binding Sites List in 1i3l
Chlorine binding site 2 out of 3 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:Cl991

b:31.6
occ:1.00
 O A:HOH1571 2.9 33.6 1.0
O B:HOH1492 3.1 30.6 1.0
N B:LEU102 3.3 16.1 1.0
CB B:LEU102 3.4 21.3 1.0
CD B:PRO101 3.6 18.4 1.0
CG B:LEU102 3.7 29.4 1.0
CA B:LEU102 3.8 20.7 1.0
C B:LYS100 3.8 30.7 1.0
N B:PRO101 3.9 21.6 1.0
CA B:LYS100 4.0 93.3 1.0
CE A:LYS120 4.1 21.2 1.0
CD A:LYS120 4.2 21.4 1.0
O B:LYS100 4.3 28.2 1.0
CD1 B:LEU102 4.3 17.8 1.0
CG B:PRO101 4.3 22.5 1.0
CD1 A:LEU171 4.4 27.9 1.0
C B:PRO101 4.4 15.4 1.0
CB B:LYS100 4.5 32.1 1.0
N B:ASP103 4.5 21.4 1.0
NZ A:LYS120 4.5 23.7 1.0
O A:HOH1271 4.6 26.3 1.0
O B:HOH1515 4.6 31.2 1.0
CA B:PRO101 4.6 32.4 1.0
C B:LEU102 4.7 23.8 1.0
O B:GLN99 4.9 0.0 1.0
O A:HOH1425 4.9 24.5 1.0
CB B:PRO101 5.0 27.8 1.0

Chlorine binding site 3 out of 3 in 1i3l

Go back to Chlorine Binding Sites List in 1i3l
Chlorine binding site 3 out of 3 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:Cl992

b:31.6
occ:1.00
 O B:HOH1139 2.7 15.1 1.0
O B:HOH1261 2.8 21.2 1.0
O B:GLY270 2.8 10.9 1.0
N B:ALA322 3.0 14.6 1.0
CZ3 B:TRP320 3.5 9.4 1.0
CA B:THR321 3.5 13.9 1.0
CB B:PRO311 3.6 15.4 1.0
C B:THR321 3.8 13.8 1.0
CB B:ALA322 3.8 14.9 1.0
CH2 B:TRP320 3.9 11.6 1.0
CB B:THR321 3.9 22.4 1.0
C B:GLY270 4.0 11.3 1.0
O B:HOH1175 4.0 20.2 1.0
CA B:ALA322 4.0 13.7 1.0
CA B:THR271 4.1 17.3 1.0
CE3 B:TRP320 4.2 8.8 1.0
O B:THR271 4.4 13.9 1.0
CG B:PRO311 4.5 19.9 1.0
C B:THR271 4.5 9.8 1.0
O B:HOH1783 4.5 57.2 1.0
O B:TRP320 4.5 14.5 1.0
N B:THR271 4.5 11.0 1.0
CG2 B:THR321 4.7 17.2 1.0
O B:HOH1442 4.7 35.3 1.0
N B:THR321 4.7 13.3 1.0
O B:ALA322 4.8 21.9 1.0
CZ2 B:TRP320 4.8 12.5 1.0
CA B:PRO311 4.9 15.4 1.0
C B:ALA322 4.9 27.1 1.0
O B:PRO311 5.0 14.2 1.0
O B:THR321 5.0 14.2 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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