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Chlorine in PDB 5tjz: Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid

Enzymatic activity of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid

All present enzymatic activity of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid:
1.17.1.8;

Protein crystallography data

The structure of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid, PDB code: 5tjz was solved by N.J.Mank, A.K.Arnette, V.Klapper, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.50
Space group P 62 2 2
Cell size a, b, c (Å), α, β, γ (°) 67.157, 67.157, 251.325, 90.00, 90.00, 120.00
R / Rfree (%) 14.8 / 16.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid (pdb code 5tjz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid, PDB code: 5tjz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5tjz

Go back to Chlorine Binding Sites List in 5tjz
Chlorine binding site 1 out of 3 in the Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:31.9
occ:1.00
 O A:HOH479 3.1 28.8 1.0
O A:HOH534 3.2 33.6 1.0
N A:GLU239 3.5 28.4 1.0
N A:LEU238 3.5 26.4 1.0
NH2 A:ARG146 3.6 38.7 1.0
CB A:GLU239 3.7 33.5 1.0
NE A:ARG146 3.7 34.9 1.0
CE A:MET113 3.8 29.9 1.0
CA A:GLY237 3.8 25.2 1.0
CG1 A:VAL110 4.0 26.0 1.0
C A:GLY237 4.1 26.6 1.0
CZ A:ARG146 4.1 36.2 1.0
CG2 A:VAL110 4.2 26.9 1.0
CA A:GLU239 4.2 31.1 1.0
C A:LEU238 4.4 29.6 1.0
CA A:LEU238 4.4 27.1 1.0
CB A:VAL110 4.5 25.5 1.0
CA A:VAL110 4.6 22.9 1.0
SD A:MET113 4.7 29.4 1.0
CB A:LEU238 4.7 28.7 1.0
CD A:ARG146 4.9 29.0 1.0
CG A:GLU239 5.0 41.9 1.0

Chlorine binding site 2 out of 3 in 5tjz

Go back to Chlorine Binding Sites List in 5tjz
Chlorine binding site 2 out of 3 in the Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:48.3
occ:1.00
 N A:ASN96 3.1 37.4 1.0
C A:LYS94 3.3 32.9 1.0
OG1 A:THR97 3.3 31.5 1.0
CA A:LYS94 3.5 32.3 1.0
O A:LYS94 3.6 34.0 1.0
CB A:ASN96 3.6 42.9 1.0
N A:PRO95 3.6 34.2 1.0
CA A:ASN96 3.6 37.8 1.0
CB A:LYS94 3.7 32.8 1.0
N A:THR97 3.7 30.9 1.0
C A:ASN96 3.8 36.5 1.0
CE A:LYS94 4.0 39.6 1.0
O1 A:EDO310 4.0 47.0 1.0
CD A:PRO95 4.0 36.5 1.0
ND2 A:ASN96 4.2 50.6 1.0
C A:PRO95 4.2 36.7 1.0
CB A:THR97 4.4 28.1 1.0
CG A:ASN96 4.4 46.7 1.0
CD A:LYS94 4.4 34.9 1.0
CA A:PRO95 4.5 37.1 1.0
NZ A:LYS94 4.5 43.8 1.0
CA A:THR97 4.6 28.6 1.0
CG A:LYS94 4.6 33.2 1.0
O A:ASN96 4.7 37.2 1.0
C1 A:EDO310 4.7 56.8 1.0
CG A:PRO95 4.7 39.4 1.0
N A:LYS94 4.9 31.5 1.0

Chlorine binding site 3 out of 3 in 5tjz

Go back to Chlorine Binding Sites List in 5tjz
Chlorine binding site 3 out of 3 in the Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl317

b:52.3
occ:1.00
 NZ A:LYS149 3.1 49.7 1.0
N A:ALA81 3.1 22.9 1.0
CB A:ALA81 3.8 24.9 1.0
CA A:THR80 3.8 22.2 1.0
CB A:THR80 3.8 23.0 1.0
C A:THR80 3.9 22.4 1.0
CA A:ALA81 4.0 22.9 1.0
CE A:LYS149 4.3 42.7 1.0
O A:HOH650 4.3 54.1 1.0
CG2 A:THR80 4.5 23.1 1.0
O A:HOH712 4.7 61.1 1.0
CD A:LYS149 4.7 40.2 1.0
O A:HOH625 4.7 57.1 1.0
O A:HOH675 4.9 50.8 1.0
O A:HOH693 4.9 55.5 1.0
OG1 A:THR80 5.0 23.5 1.0

Reference:

N.J.Mank, A.K.Arnette, V.Klapper, M.Chruszcz. Structure of 4-Hydroxytetrahydrodipicolinate Reductase From Mycobacterium Tuberculosis with Nadph and 2,6 Pyridine Dicarboxylic Acid To Be Published.
Page generated: Fri Jul 26 17:29:59 2024

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