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Chlorine in PDB 5e4n: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites

Enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites:
2.5.1.54;

Protein crystallography data

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites, PDB code: 5e4n was solved by S.Reichau, W.Jiao, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.37 / 2.05
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 205.739, 205.739, 66.644, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 22.9

Other elements in 5e4n:

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites (pdb code 5e4n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites, PDB code: 5e4n:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5e4n

Go back to Chlorine Binding Sites List in 5e4n
Chlorine binding site 1 out of 4 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:61.9
occ:1.00
 N A:ALA141 3.4 24.4 1.0
CB A:ASP140 3.6 24.9 1.0
NH2 A:ARG135 3.8 59.8 1.0
CB A:ALA141 3.9 27.2 1.0
CA A:ASP140 4.0 24.8 1.0
C A:ASP140 4.2 24.5 1.0
CA A:ALA141 4.3 25.7 1.0
CG A:ASP140 4.6 25.5 1.0

Chlorine binding site 2 out of 4 in 5e4n

Go back to Chlorine Binding Sites List in 5e4n
Chlorine binding site 2 out of 4 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:62.7
occ:1.00
 NH1 A:ARG49 3.6 39.4 1.0
NH2 A:ARG256 3.7 41.4 1.0
CZ A:ARG256 4.5 40.1 1.0
NH1 A:ARG256 4.6 40.0 1.0
CZ A:ARG49 4.7 39.3 1.0

Chlorine binding site 3 out of 4 in 5e4n

Go back to Chlorine Binding Sites List in 5e4n
Chlorine binding site 3 out of 4 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:39.3
occ:1.00
 O A:HOH605 3.0 15.9 0.5
OG B:SER62 3.0 19.8 1.0
N B:SER62 3.2 18.2 1.0
CB B:SER62 3.4 18.2 1.0
CD B:PRO61 3.8 15.6 1.0
N B:PRO61 3.8 15.2 1.0
CB B:VAL60 3.9 14.8 1.0
CA B:SER62 3.9 17.9 1.0
CG2 B:VAL60 3.9 15.0 1.0
O A:HOH814 4.0 47.4 1.0
C B:PRO61 4.2 16.6 1.0
C B:VAL60 4.4 14.9 1.0
CA B:PRO61 4.4 16.0 1.0
CB B:PRO61 4.4 16.4 1.0
O B:HOH823 4.5 45.9 1.0
CG B:PRO61 4.6 15.8 1.0
CA B:VAL60 4.7 14.4 1.0
NH1 A:ARG100 4.8 22.1 0.5
CB A:SER189 4.8 30.4 1.0
CG1 B:VAL60 5.0 14.5 1.0

Chlorine binding site 4 out of 4 in 5e4n

Go back to Chlorine Binding Sites List in 5e4n
Chlorine binding site 4 out of 4 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis with D-Tyrosine Bound in the Tyrosine and Phenylalanine Binding Sites within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:61.0
occ:1.00
 NH2 B:ARG100 3.5 38.2 1.0
O B:HOH616 3.6 29.3 1.0
NH1 B:ARG100 3.9 40.5 1.0
CZ B:ARG100 4.2 37.7 1.0
CB B:PRO97 4.4 19.3 1.0
CA B:PRO97 4.9 19.1 1.0
CG B:PRO97 5.0 19.6 1.0

Reference:

S.Reichau, N.J.Blackmore, W.Jiao, E.J.Parker. Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium Tuberculosis Using -Amino Acids. Plos One V. 11 52723 2016.
ISSN: ESSN 1932-6203
PubMed: 27128682
DOI: 10.1371/JOURNAL.PONE.0152723
Page generated: Sat Jul 12 01:31:13 2025

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