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Chlorine in PDB 6nau: 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae

Enzymatic activity of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae

All present enzymatic activity of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae:
3.1.1.31;

Protein crystallography data

The structure of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae, PDB code: 6nau was solved by G.Minasov, L.Shuvalova, S.Pshenychnyi, I.Dubrovska, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.33 / 1.55
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 184.745, 184.745, 48.761, 90.00, 90.00, 120.00
R / Rfree (%) 12.6 / 15.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae (pdb code 6nau). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae, PDB code: 6nau:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6nau

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Chlorine binding site 1 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:13.5
occ:1.00
 O6 A:B3P401 3.1 11.5 1.0
O A:HOH570 3.2 12.2 1.0
N A:GLU166 3.3 15.0 1.0
CA A:GLN165 3.7 12.8 1.0
C7 A:B3P401 3.8 13.4 1.0
C1 A:B3P401 3.8 18.3 1.0
CB A:GLN165 3.8 14.1 1.0
O A:HOH880 3.9 32.7 1.0
C3 A:B3P401 3.9 15.0 1.0
C A:GLN165 4.0 13.7 1.0
N1 A:B3P401 4.2 15.2 1.0
CG A:GLN165 4.2 13.7 1.0
CB A:GLU166 4.3 23.5 1.0
CA A:GLU166 4.3 18.1 1.0
O A:GLU166 4.4 18.4 1.0
C4 A:B3P401 4.7 13.5 1.0
C A:GLU166 4.8 19.2 1.0
C2 A:B3P401 4.9 20.7 1.0
OG1 A:THR155 4.9 10.6 1.0
CD A:GLN165 5.0 12.7 1.0
O A:ALA164 5.0 12.1 1.0
N A:GLN165 5.0 11.8 1.0
O A:HOH712 5.0 13.5 1.0

Chlorine binding site 2 out of 7 in 6nau

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Chlorine binding site 2 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:18.4
occ:1.00
 O A:HOH681 3.0 22.9 0.5
NH2 A:ARG139 3.2 12.7 1.0
O A:HOH925 3.2 19.2 0.5
NH1 A:ARG139 3.4 12.8 1.0
CZ A:ARG139 3.7 11.3 1.0
NZ A:LYS206 4.3 46.8 1.0
O A:HOH940 4.8 32.6 0.5
O A:HOH535 4.8 20.3 0.5
NE A:ARG139 5.0 11.2 1.0

Chlorine binding site 3 out of 7 in 6nau

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Chlorine binding site 3 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:18.4
occ:1.00
 NH1 B:ARG278 3.2 7.9 1.0
O C:HOH772 3.3 17.8 1.0
O B:HOH943 3.3 21.6 1.0
NH2 B:ARG278 3.3 8.2 1.0
NE2 B:GLN39 3.4 11.7 1.0
O B:HOH947 3.6 17.8 0.5
CZ B:ARG278 3.7 7.6 1.0
CB C:ASP224 3.8 9.3 1.0
OE1 B:GLN39 3.9 11.1 1.0
CB C:PRO223 4.0 10.0 1.0
O B:HOH634 4.0 18.4 1.0
CD B:GLN39 4.1 10.7 1.0
O B:HOH693 4.2 30.1 1.0
N C:ASP224 4.3 9.5 1.0
O B:HOH549 4.4 14.0 1.0
CG C:ASP224 4.5 10.0 1.0
CA C:ASP224 4.6 9.1 1.0
C C:PRO223 4.6 9.2 1.0
O B:HOH745 4.6 15.1 1.0
OD1 C:ASP224 4.8 10.1 1.0
O C:HOH778 4.8 18.9 1.0
O B:HOH814 4.8 13.7 1.0
CA C:PRO223 4.8 9.0 1.0

Chlorine binding site 4 out of 7 in 6nau

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Chlorine binding site 4 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:24.1
occ:1.00
 NH2 B:ARG139 3.2 18.7 1.0
NH1 B:ARG139 3.5 15.8 1.0
CZ B:ARG139 3.8 15.2 1.0
O B:HOH662 5.0 35.1 1.0

Chlorine binding site 5 out of 7 in 6nau

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Chlorine binding site 5 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:19.0
occ:1.00
 O B:HOH622 3.1 18.1 1.0
N B:GLU166 3.5 17.0 1.0
CA B:GLN165 3.8 15.1 1.0
O B:HOH870 3.8 38.1 1.0
CB B:GLN165 4.0 16.8 1.0
C B:GLN165 4.1 15.4 1.0
CG B:GLN165 4.4 17.6 1.0
O B:GLU166 4.5 22.3 1.0
CB B:GLU166 4.5 27.1 1.0
CA B:GLU166 4.6 20.8 1.0
O B:HOH653 5.0 18.7 1.0
O B:ALA164 5.0 13.8 1.0
OG1 B:THR155 5.0 13.3 1.0

Chlorine binding site 6 out of 7 in 6nau

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Chlorine binding site 6 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:12.4
occ:1.00
 O5 C:B3P401 3.0 12.6 1.0
O C:HOH570 3.2 10.1 1.0
N C:GLU166 3.4 11.5 1.0
CA C:GLN165 3.7 10.5 1.0
C6 C:B3P401 3.7 15.4 1.0
C3 C:B3P401 3.8 15.3 1.0
CB C:GLN165 3.8 12.2 1.0
C1 C:B3P401 3.9 17.9 1.0
C C:GLN165 4.0 10.3 1.0
N1 C:B3P401 4.2 15.6 1.0
CG C:GLN165 4.3 13.1 1.0
CA C:GLU166 4.4 15.1 1.0
CB C:GLU166 4.4 19.8 1.0
O C:GLU166 4.4 14.7 1.0
C4 C:B3P401 4.6 14.2 1.0
C C:GLU166 4.9 14.6 1.0
OG1 C:THR155 4.9 9.4 1.0
O C:ALA164 4.9 9.9 1.0
N C:GLN165 5.0 9.6 1.0
O C:HOH760 5.0 12.5 1.0
C2 C:B3P401 5.0 21.1 1.0

Chlorine binding site 7 out of 7 in 6nau

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Chlorine binding site 7 out of 7 in the 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.55 Angstrom Resolution Crystal Structure of 6- Phosphogluconolactonase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:17.1
occ:1.00
 NH2 C:ARG139 3.1 13.7 1.0
O C:HOH951 3.2 36.8 1.0
NH1 C:ARG139 3.4 11.7 1.0
CZ C:ARG139 3.7 12.1 1.0
NZ C:LYS206 4.9 40.1 1.0
O C:HOH918 4.9 25.1 0.5

Reference:

G.Minasov, L.Shuvalova, S.Pshenychnyi, I.Dubrovska, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.55 Angstrom Resolution Crystal Structure of 6-Phosphogluconolactonase From Klebsiella Pneumoniae. To Be Published.
Page generated: Sun Jul 28 20:27:49 2024

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