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Chlorine in PDB 5e2l: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine

Enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine:
2.5.1.54;

Protein crystallography data

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine, PDB code: 5e2l 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) 49.00 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 203.989, 203.989, 66.904, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 17.4

Other elements in 5e2l:

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine 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 in Complex with D-Phenylalanine (pdb code 5e2l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine, PDB code: 5e2l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5e2l

Go back to Chlorine Binding Sites List in 5e2l
Chlorine binding site 1 out of 5 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine


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 in Complex with D-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:62.3
occ:1.00
 N A:ALA141 3.5 30.0 1.0
NH2 A:ARG135 3.6 51.1 1.0
CB A:ASP140 3.8 28.9 1.0
CB A:ALA141 4.0 30.6 1.0
CA A:ASP140 4.1 30.0 1.0
C A:ASP140 4.3 30.3 1.0
CA A:ALA141 4.4 30.0 1.0
CZ A:ARG135 4.8 51.7 1.0
CG A:ASP140 4.9 28.2 1.0

Chlorine binding site 2 out of 5 in 5e2l

Go back to Chlorine Binding Sites List in 5e2l
Chlorine binding site 2 out of 5 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine


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 in Complex with D-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:49.5
occ:1.00
 N A:SER62 3.5 23.8 1.0
CB A:SER62 3.5 24.3 1.0
OG A:SER62 3.5 24.4 1.0
CD A:PRO61 3.8 22.6 1.0
CB A:VAL60 4.0 21.0 1.0
N A:PRO61 4.0 22.3 1.0
CA A:SER62 4.1 24.2 1.0
CG2 A:VAL60 4.1 20.9 1.0
CB A:PRO61 4.3 23.3 1.0
CG A:PRO61 4.4 23.0 1.0
C A:PRO61 4.5 23.4 1.0
CA A:PRO61 4.5 22.9 1.0
C A:VAL60 4.5 21.7 1.0
CA A:VAL60 4.8 20.9 1.0
CG1 A:VAL60 4.9 20.9 1.0
OD2 A:ASP263 4.9 71.1 1.0

Chlorine binding site 3 out of 5 in 5e2l

Go back to Chlorine Binding Sites List in 5e2l
Chlorine binding site 3 out of 5 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine


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 in Complex with D-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:51.8
occ:1.00
 N A:GLN36 3.5 27.4 1.0
CA A:GLN36 4.2 27.3 1.0
CA A:ALA35 4.3 27.2 1.0
NE2 A:GLN36 4.4 29.2 1.0
C A:ALA35 4.4 27.0 1.0
CB A:ALA35 4.4 27.4 1.0
CD A:GLN36 4.6 28.9 1.0
CG A:GLN36 4.7 28.0 1.0

Chlorine binding site 4 out of 5 in 5e2l

Go back to Chlorine Binding Sites List in 5e2l
Chlorine binding site 4 out of 5 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine


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 in Complex with D-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:52.8
occ:1.00
 N B:SER62 3.5 21.3 1.0
OG B:SER62 3.6 23.4 1.0
CD B:PRO61 3.7 21.0 1.0
CB B:SER62 3.7 22.8 1.0
N B:PRO61 4.0 20.5 1.0
CB B:PRO61 4.0 20.7 1.0
CB B:VAL60 4.1 20.7 1.0
CG B:PRO61 4.1 20.9 1.0
CA B:SER62 4.2 22.3 1.0
CG2 B:VAL60 4.3 20.6 1.0
NH2 A:ARG100 4.3 37.7 0.5
CA B:PRO61 4.4 20.6 1.0
C B:PRO61 4.4 20.9 1.0
C B:VAL60 4.6 20.3 1.0
NH1 A:ARG100 4.7 37.4 0.5
CA B:VAL60 4.9 20.3 1.0
CZ A:ARG100 5.0 37.2 0.5

Chlorine binding site 5 out of 5 in 5e2l

Go back to Chlorine Binding Sites List in 5e2l
Chlorine binding site 5 out of 5 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with D-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:63.1
occ:1.00
 N B:GLN36 3.6 26.1 1.0
CA B:ALA35 4.0 26.6 1.0
C B:ALA35 4.3 26.3 1.0
CB B:ALA35 4.5 26.3 1.0
CA B:GLN36 4.5 26.2 1.0
O B:ALA34 4.7 28.6 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 Dec 12 11:40:17 2020

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