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Chlorine in PDB 3toz: 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.

Enzymatic activity of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.

All present enzymatic activity of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.:
1.1.1.25;

Protein crystallography data

The structure of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad., PDB code: 3toz was solved by G.Minasov, S.H.Light, A.Halavaty, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.63 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.130, 78.434, 214.829, 90.00, 90.49, 90.00
R / Rfree (%) 19.5 / 25.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. (pdb code 3toz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad., PDB code: 3toz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3toz

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Chlorine binding site 1 out of 4 in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl293

b:70.8
occ:1.00
 O C:HOH1019 2.9 58.6 1.0
N C:LYS132 3.8 61.1 1.0
CB C:LYS131 4.0 60.6 1.0
O C:GLU202 4.2 47.8 1.0
CA C:LYS131 4.2 60.2 1.0
CB C:LYS132 4.4 63.4 1.0
CG C:LYS131 4.4 64.6 1.0
C C:LYS131 4.5 59.8 1.0
CA C:LYS132 4.7 61.2 1.0
N C:VAL204 4.8 43.2 1.0
CB C:VAL204 4.8 45.8 1.0
CD C:LYS131 4.9 68.5 1.0

Chlorine binding site 2 out of 4 in 3toz

Go back to Chlorine Binding Sites List in 3toz
Chlorine binding site 2 out of 4 in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl294

b:47.8
occ:0.70
 CB C:LYS77 3.6 34.6 1.0
CG C:MET74 3.7 40.4 0.5
N C:LYS77 3.8 34.1 1.0
CA C:MET74 3.9 36.3 0.5
C C:PRO75 4.0 34.7 1.0
CA C:MET74 4.0 36.9 0.5
CG C:LYS77 4.0 36.5 1.0
CA C:PRO75 4.0 36.3 1.0
CB C:MET74 4.2 38.6 0.5
CA C:LYS77 4.2 33.8 1.0
N C:ASN76 4.2 34.4 1.0
O C:PRO75 4.3 37.1 1.0
CD C:LYS77 4.3 38.7 1.0
N C:THR78 4.3 37.2 1.0
CB C:MET74 4.4 39.2 0.5
CG C:MET74 4.4 44.6 0.5
O C:HOH346 4.4 43.4 1.0
CG2 C:THR78 4.5 40.0 1.0
N C:MET74 4.6 34.2 0.5
N C:MET74 4.6 34.5 0.5
OG1 C:THR78 4.7 45.8 1.0
C C:ASN76 4.7 33.6 1.0
C C:LYS77 4.8 34.6 1.0
SD C:MET74 4.8 48.3 0.5
N C:PRO75 4.9 35.8 1.0
CA C:ASN76 5.0 33.5 1.0

Chlorine binding site 3 out of 4 in 3toz

Go back to Chlorine Binding Sites List in 3toz
Chlorine binding site 3 out of 4 in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl293

b:51.5
occ:0.50
 N E:GLU232 3.3 42.1 1.0
CD E:PRO231 3.5 46.1 1.0
CB E:PRO231 3.6 44.3 1.0
CG E:GLU232 3.6 49.1 1.0
N E:PRO231 3.7 44.0 1.0
CG E:PRO231 3.7 45.8 1.0
CB E:GLU232 3.8 44.6 1.0
CB E:ARG230 4.0 43.5 1.0
CA E:PRO231 4.0 43.5 1.0
CG E:ARG230 4.1 40.4 1.0
C E:PRO231 4.1 41.9 1.0
CA E:GLU232 4.1 42.4 1.0
CD E:GLU232 4.2 54.6 1.0
OE1 E:GLU232 4.3 55.3 1.0
C E:ARG230 4.3 42.4 1.0
CD E:ARG230 4.3 37.9 1.0
CA E:ARG230 4.7 43.0 1.0
NE E:ARG230 5.0 39.7 1.0
OE2 E:GLU232 5.0 56.0 1.0

Chlorine binding site 4 out of 4 in 3toz

Go back to Chlorine Binding Sites List in 3toz
Chlorine binding site 4 out of 4 in the 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl293

b:48.7
occ:0.50
 O H:HOH1015 2.6 52.9 1.0
N H:LYS132 3.3 36.1 1.0
CB H:LYS131 3.6 41.6 1.0
O H:GLU202 3.7 36.6 1.0
CA H:LYS131 3.7 40.3 1.0
CG1 H:VAL204 3.8 42.6 1.0
CB H:LYS132 3.9 35.9 1.0
CG H:LYS131 3.9 44.9 1.0
C H:LYS131 4.0 38.1 1.0
CA H:LYS132 4.2 34.7 1.0
N H:VAL204 4.4 34.3 1.0
O H:LYS132 4.7 31.7 1.0
C H:GLU202 4.8 35.8 1.0
CB H:VAL204 4.9 36.9 1.0
CA H:SER203 4.9 33.4 1.0
C H:SER203 4.9 34.1 1.0
C H:LYS132 4.9 34.0 1.0

Reference:

G.Minasov, S.H.Light, A.Halavaty, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.2 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Nad. To Be Published.
Page generated: Fri Jul 11 10:53:53 2025

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