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Chlorine in PDB 6dux: 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad.

Enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad.

All present enzymatic activity of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad.:
3.2.1.122;

Protein crystallography data

The structure of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad., PDB code: 6dux was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, M.Endres, K.J.F.Satchell, A.Joachimiak, 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) 29.89 / 2.25
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.226, 85.226, 228.858, 90.00, 90.00, 120.00
R / Rfree (%) 15.4 / 19.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. (pdb code 6dux). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad., PDB code: 6dux:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6dux

Go back to Chlorine Binding Sites List in 6dux
Chlorine binding site 1 out of 5 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae 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 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:89.6
occ:1.00
 O A:HOH661 3.0 39.1 1.0
O B:HOH752 3.1 31.8 0.5
OE2 B:GLU368 3.7 53.7 1.0
CD B:GLU368 4.2 53.1 1.0
OE1 A:GLU208 4.2 57.6 1.0
CD A:ARG194 4.2 38.0 1.0
CD A:ARG192 4.2 39.6 1.0
CG A:ARG194 4.3 37.8 1.0
O B:HOH612 4.3 31.4 0.5
CG A:ARG192 4.3 39.2 1.0
NH2 A:ARG336 4.4 38.2 1.0
OG A:SER206 4.7 40.2 1.0
NH1 A:ARG336 4.7 36.6 1.0
OE1 B:GLU368 4.7 54.0 1.0
O A:HOH696 4.8 45.4 1.0
CZ A:ARG336 4.8 39.1 1.0
CD A:GLU208 4.8 51.6 1.0
OE1 B:GLN334 4.9 39.9 1.0
CG B:GLU368 4.9 50.7 1.0

Chlorine binding site 2 out of 5 in 6dux

Go back to Chlorine Binding Sites List in 6dux
Chlorine binding site 2 out of 5 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae 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 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:83.0
occ:1.00
 O B:TRP397 3.2 48.0 1.0
NE B:ARG400 3.4 76.5 1.0
NH2 B:ARG400 3.9 83.5 1.0
CG B:ARG400 4.0 61.6 1.0
CZ B:ARG400 4.1 83.0 1.0
C B:TRP397 4.2 46.0 1.0
CG B:PRO437 4.2 65.9 1.0
CD2 B:TRP397 4.2 43.7 1.0
CE3 B:TRP397 4.2 44.4 1.0
CZ3 B:TRP397 4.3 47.4 1.0
CE2 B:TRP397 4.3 45.8 1.0
CH2 B:TRP397 4.3 48.4 1.0
CZ2 B:TRP397 4.3 47.5 1.0
CD B:ARG400 4.3 68.9 1.0
CB B:PRO437 4.3 67.9 1.0
O B:GLU398 4.4 48.2 1.0
CA B:GLU398 4.8 48.5 1.0
CG B:TRP397 4.9 44.3 1.0
NE1 B:TRP397 4.9 46.5 1.0
C B:GLU398 4.9 47.7 1.0
N B:GLU398 4.9 46.4 1.0

Chlorine binding site 3 out of 5 in 6dux

Go back to Chlorine Binding Sites List in 6dux
Chlorine binding site 3 out of 5 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae 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 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:94.9
occ:1.00
 O B:HOH752 3.0 31.8 0.5
NE A:ARG194 4.0 38.7 1.0
CD A:ARG194 4.1 38.0 1.0
CZ A:ARG194 4.1 41.5 1.0
CG B:GLU368 4.1 50.7 1.0
O B:PRO367 4.1 41.4 1.0
NH1 A:ARG194 4.1 42.2 1.0
CB B:ASN365 4.6 51.7 1.0
O B:ASN365 4.7 51.4 1.0
NH2 A:ARG194 4.7 43.1 1.0
C B:PRO367 4.9 41.5 1.0
CD B:GLU368 5.0 53.1 1.0

Chlorine binding site 4 out of 5 in 6dux

Go back to Chlorine Binding Sites List in 6dux
Chlorine binding site 4 out of 5 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae 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 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:99.2
occ:1.00
 ND1 B:HIS290 3.1 75.6 1.0
CE1 B:HIS290 3.8 75.0 1.0
ND2 B:ASN294 4.0 69.5 1.0
OD1 B:ASN294 4.1 66.2 1.0
CG B:HIS290 4.3 73.8 1.0
CG B:ASN294 4.5 68.5 1.0
CB B:HIS290 4.6 70.5 1.0
CA B:HIS290 4.9 69.9 1.0

Chlorine binding site 5 out of 5 in 6dux

Go back to Chlorine Binding Sites List in 6dux
Chlorine binding site 5 out of 5 in the 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Klebsiella Pneumoniae in Complex with Nad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:89.1
occ:1.00
 O B:HOH697 2.9 30.8 0.3
NH2 B:ARG157 3.1 34.3 1.0
NH1 B:ARG157 3.3 35.9 1.0
CZ B:ARG157 3.7 35.5 1.0
OD2 B:ASP353 4.1 66.1 1.0
O B:HOH605 4.2 45.3 1.0
CG B:ARG158 4.6 44.3 1.0
CB B:ASP353 4.6 44.6 1.0
CG B:ASP353 4.8 52.0 1.0
O B:HOH697 4.9 49.9 0.7
NE B:ARG157 5.0 34.9 1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, M.Endres, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.25 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha-Glucosidase From Klebsiella Pneumoniae in Complex with Nad. To Be Published.
Page generated: Sat Jul 12 13:02:07 2025

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