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Chlorine in PDB 3tnl: 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.

Enzymatic activity of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.

All present enzymatic activity of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.:
1.1.1.25;

Protein crystallography data

The structure of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad., PDB code: 3tnl 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) 29.31 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.851, 82.878, 101.260, 90.00, 90.03, 90.00
R / Rfree (%) 14.9 / 17.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. (pdb code 3tnl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad., PDB code: 3tnl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3tnl

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Chlorine binding site 1 out of 4 in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl294

b:30.7
occ:1.00
 O A:HOH984 2.9 32.2 1.0
N A:GLU280 3.1 17.9 1.0
O A:HOH839 3.4 36.3 1.0
CA A:LYS279 3.6 15.1 1.0
C A:LYS279 3.9 16.3 1.0
CB A:LYS279 4.0 16.0 1.0
CB A:GLU280 4.0 18.9 1.0
CG A:GLU280 4.1 20.1 1.0
CA A:GLU280 4.1 17.9 1.0
CG A:LYS279 4.3 18.3 1.0
O A:HIS278 4.6 17.4 1.0
OE1 A:GLU280 4.7 29.3 1.0
CD A:GLU280 4.8 28.1 1.0
O A:GLU280 4.8 20.2 1.0
N A:LYS279 4.8 15.4 1.0
C A:GLU280 5.0 17.9 1.0

Chlorine binding site 2 out of 4 in 3tnl

Go back to Chlorine Binding Sites List in 3tnl
Chlorine binding site 2 out of 4 in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl293

b:30.6
occ:1.00
 N B:LYS77 3.3 18.6 0.7
N B:LYS77 3.4 19.2 0.3
C B:PRO75 3.5 18.9 1.0
CB B:LYS77 3.6 19.8 0.3
CA B:MET74 3.6 20.1 0.3
CA B:MET74 3.7 20.4 0.7
CB B:LYS77 3.7 18.8 0.7
N B:ASN76 3.7 19.3 1.0
CG B:MET74 3.7 29.2 0.7
CA B:PRO75 3.7 19.7 1.0
CG B:MET74 3.8 24.5 0.3
CG B:LYS77 3.8 20.2 0.3
O B:PRO75 3.9 21.7 1.0
CE B:LYS77 3.9 24.7 0.7
CA B:LYS77 4.0 19.4 0.3
O B:HOH552 4.0 26.7 1.0
CA B:LYS77 4.0 18.6 0.7
CG B:LYS77 4.0 20.2 0.7
CB B:MET74 4.1 20.9 0.3
CB B:MET74 4.1 22.0 0.7
N B:MET74 4.2 19.2 0.3
N B:THR78 4.2 20.1 1.0
N B:MET74 4.2 18.8 0.7
C B:ASN76 4.3 18.9 1.0
CD B:LYS77 4.4 21.6 0.3
CA B:ASN76 4.5 18.0 1.0
CD B:LYS77 4.6 20.6 0.7
N B:PRO75 4.6 19.5 1.0
O B:SER73 4.6 18.3 1.0
C B:LYS77 4.6 18.3 0.7
C B:MET74 4.7 19.3 0.3
C B:LYS77 4.7 19.3 0.3
C B:SER73 4.7 19.6 1.0
C B:MET74 4.7 18.8 0.7
SD B:MET74 4.8 29.7 0.3
CG2 B:THR78 4.9 23.3 1.0
OG1 B:THR78 4.9 27.4 1.0
O B:HOH1795 4.9 21.2 0.3

Chlorine binding site 3 out of 4 in 3tnl

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Chlorine binding site 3 out of 4 in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl294

b:28.7
occ:1.00
 O C:HOH885 3.0 37.3 1.0
N C:GLU280 3.2 16.6 1.0
O C:HOH953 3.2 32.1 1.0
CA C:LYS279 3.6 16.4 0.5
CA C:LYS279 3.6 16.0 0.5
C C:LYS279 3.9 17.2 0.5
C C:LYS279 3.9 17.0 0.5
CB C:LYS279 3.9 17.7 0.5
CG C:GLU280 4.0 21.6 1.0
CB C:LYS279 4.0 17.4 0.5
CB C:GLU280 4.0 18.2 1.0
CA C:GLU280 4.2 17.6 1.0
CG C:LYS279 4.2 20.5 0.5
CG C:LYS279 4.4 18.8 0.5
O C:HIS278 4.6 17.4 1.0
OE1 C:GLU280 4.8 30.3 1.0
O C:GLU280 4.8 19.3 1.0
CD C:GLU280 4.8 26.6 1.0
N C:LYS279 4.8 15.8 0.5
N C:LYS279 4.8 15.6 0.5
CD C:LYS279 5.0 20.5 0.5

Chlorine binding site 4 out of 4 in 3tnl

Go back to Chlorine Binding Sites List in 3tnl
Chlorine binding site 4 out of 4 in the 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl293

b:32.1
occ:1.00
 O D:HOH1388 2.6 36.2 0.5
N D:LYS77 3.4 18.6 0.5
N D:LYS77 3.4 18.0 0.5
CG D:MET74 3.6 24.9 0.5
CB D:LYS77 3.6 20.4 0.5
C D:PRO75 3.6 18.4 1.0
CB D:LYS77 3.7 18.6 0.5
CA D:MET74 3.8 20.0 0.5
CA D:MET74 3.8 20.6 0.5
N D:ASN76 3.8 18.1 1.0
CA D:PRO75 3.9 19.0 1.0
CG D:LYS77 3.9 21.9 0.5
O D:HOH1509 3.9 35.7 0.5
CG D:MET74 3.9 26.6 0.5
O D:PRO75 4.0 20.0 1.0
CE D:LYS77 4.0 21.7 0.5
CA D:LYS77 4.0 19.9 0.5
CA D:LYS77 4.0 19.0 0.5
O D:HOH344 4.0 22.2 1.0
CB D:MET74 4.2 22.3 0.5
N D:THR78 4.2 20.1 1.0
CG D:LYS77 4.2 19.0 0.5
O D:HOH1856 4.2 42.1 1.0
CB D:MET74 4.3 22.8 0.5
N D:MET74 4.3 19.0 0.5
C D:ASN76 4.4 18.9 1.0
N D:MET74 4.4 19.2 0.5
CD D:LYS77 4.5 24.5 0.5
CA D:ASN76 4.6 17.8 1.0
C D:LYS77 4.6 19.9 0.5
C D:LYS77 4.6 19.3 0.5
OG1 D:THR78 4.6 25.3 1.0
CD D:LYS77 4.7 19.7 0.5
SD D:MET74 4.7 36.7 0.5
N D:PRO75 4.7 18.5 1.0
O D:SER73 4.8 17.8 1.0
CG2 D:THR78 4.8 22.1 1.0
C D:SER73 4.8 19.1 1.0
C D:MET74 4.8 18.6 0.5
C D:MET74 4.8 18.9 0.5
O D:HOH1767 4.9 32.0 0.5

Reference:

G.Minasov, S.H.Light, A.Halavaty, L.Shuvalova, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.45 Angstrom Crystal Structure of Shikimate 5-Dehydrogenase From Listeria Monocytogenes in Complex with Shikimate and Nad. To Be Published.
Page generated: Sun Jul 21 05:25:24 2024

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