Atomistry » Chlorine » PDB 5ofs-5on9 » 5ohs
Atomistry »
  Chlorine »
    PDB 5ofs-5on9 »
      5ohs »

Chlorine in PDB 5ohs: A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq

Enzymatic activity of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq

All present enzymatic activity of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq:
3.2.1.20;

Protein crystallography data

The structure of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq, PDB code: 5ohs was solved by Y.Jin, S.J.Williams, E.Goddard-Borger, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.77 / 1.97
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 104.200, 169.190, 169.690, 90.00, 92.80, 90.00
R / Rfree (%) 18.1 / 20.3

Other elements in 5ohs:

The structure of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq also contains other interesting chemical elements:

Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq (pdb code 5ohs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq, PDB code: 5ohs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 1 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl706

b:48.5
occ:1.00
 N A:PHE495 3.4 29.5 1.0
NH1 A:ARG524 3.4 31.5 1.0
NH2 A:ARG524 3.7 31.6 1.0
CD1 A:PHE495 3.8 30.5 1.0
CZ A:ARG524 4.0 31.2 1.0
CA A:PHE495 4.0 30.1 1.0
CE1 A:PHE495 4.0 30.3 1.0
CA A:LEU494 4.3 28.1 1.0
C A:LEU494 4.3 28.5 1.0
CD2 A:LEU494 4.3 28.5 1.0
CG A:PHE495 4.4 29.7 1.0
CB A:LEU494 4.4 28.0 1.0
O4 A:MPD705 4.6 47.3 0.7
CZ A:PHE495 4.8 30.1 1.0
CB A:PHE495 4.9 29.5 1.0
O A:HOH1011 4.9 26.9 0.5

Chlorine binding site 2 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 2 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl702

b:46.6
occ:1.00
 N B:PHE495 3.2 28.3 1.0
NH1 B:ARG524 3.3 30.4 1.0
NH2 B:ARG524 3.6 30.1 1.0
CD1 B:PHE495 3.8 28.8 1.0
CZ B:ARG524 3.9 30.2 1.0
CA B:PHE495 3.9 29.0 1.0
CA B:LEU494 4.1 26.9 1.0
CE1 B:PHE495 4.1 29.1 1.0
C B:LEU494 4.2 27.7 1.0
CD2 B:LEU494 4.3 27.3 1.0
CB B:LEU494 4.3 27.3 1.0
CG B:PHE495 4.4 28.6 1.0
O B:HOH855 4.7 37.2 1.0
CB B:PHE495 4.8 28.9 1.0
CZ B:PHE495 4.9 28.4 1.0
CG B:LEU494 5.0 27.1 1.0

Chlorine binding site 3 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 3 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl703

b:48.1
occ:0.80
 NH1 E:ARG524 3.3 33.9 1.0
N E:PHE495 3.3 32.6 1.0
NH2 E:ARG524 3.7 32.6 1.0
CD1 E:PHE495 3.9 34.2 1.0
CA E:PHE495 4.0 34.2 1.0
CZ E:ARG524 4.0 32.5 1.0
CE1 E:PHE495 4.3 33.9 1.0
C E:LEU494 4.3 31.4 1.0
CA E:LEU494 4.4 31.4 1.0
CG E:PHE495 4.6 34.0 1.0
CD2 E:LEU494 4.6 32.6 1.0
CB E:LEU494 4.7 31.2 1.0
CB E:PHE495 4.9 34.0 1.0

Chlorine binding site 4 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 4 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl705

b:44.5
occ:1.00
 NH1 F:ARG524 3.3 28.2 1.0
N F:PHE495 3.3 28.9 1.0
NH2 F:ARG524 3.6 28.0 1.0
CZ F:ARG524 3.9 27.9 1.0
CD1 F:PHE495 3.9 28.8 1.0
CA F:PHE495 3.9 29.6 1.0
CE1 F:PHE495 4.2 28.4 1.0
C F:LEU494 4.3 28.1 1.0
CA F:LEU494 4.3 27.0 1.0
CD2 F:LEU494 4.5 27.3 1.0
CG F:PHE495 4.5 28.6 1.0
CB F:LEU494 4.6 27.3 1.0
CB F:PHE495 4.9 29.0 1.0
O F:HOH887 5.0 22.1 0.5

Chlorine binding site 5 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 5 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl702

b:39.3
occ:0.70
 ND2 G:ASN164 3.0 25.1 1.0
N G:ASN455 3.1 24.0 1.0
O G:HOH801 3.2 26.3 0.5
CD G:PRO136 3.2 26.9 1.0
NH1 G:ARG438 3.3 30.9 1.0
CG G:PRO136 3.3 28.3 1.0
CB G:ASN455 3.6 23.9 1.0
O G:HOH873 3.7 21.9 1.0
OE1 G:GLU135 3.8 38.2 1.0
CG G:ASN455 3.8 23.7 1.0
CG G:ASN164 3.8 25.9 1.0
OD1 G:ASN164 3.9 29.1 1.0
CA G:ASN455 3.9 23.8 1.0
O G:HOH937 3.9 45.7 1.0
CA G:GLY454 3.9 25.1 1.0
ND2 G:ASN455 3.9 23.2 1.0
C G:GLY454 4.0 24.7 1.0
CD G:ARG438 4.0 27.7 1.0
O G:ASN455 4.2 24.3 1.0
CZ G:ARG438 4.2 30.8 1.0
OD1 G:ASN455 4.5 25.7 1.0
NE G:ARG438 4.5 28.4 1.0
C G:ASN455 4.5 23.9 1.0
O G:HOH1014 4.6 29.0 1.0
CB G:PRO136 4.6 27.0 1.0
O G:HOH975 4.7 25.0 1.0
N G:PRO136 4.7 26.6 1.0
O G:HOH805 4.8 20.9 1.0
CD G:GLU135 4.9 32.8 1.0

Chlorine binding site 6 out of 6 in 5ohs

Go back to Chlorine Binding Sites List in 5ohs
Chlorine binding site 6 out of 6 in the A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of A GH31 Family Sulfoquinovosidase Mutant D455N in Complex with Pnpsq within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl702

b:44.4
occ:0.80
 N H:PHE495 3.3 23.9 1.0
NH1 H:ARG524 3.3 24.5 1.0
NH2 H:ARG524 3.5 24.7 1.0
CD1 H:PHE495 3.8 25.1 1.0
CZ H:ARG524 3.9 24.4 1.0
CA H:PHE495 4.0 25.3 1.0
CE1 H:PHE495 4.1 25.8 1.0
CD2 H:LEU494 4.2 22.9 1.0
CA H:LEU494 4.2 22.8 1.0
C H:LEU494 4.2 23.2 1.0
CB H:LEU494 4.4 22.8 1.0
CG H:PHE495 4.4 25.0 1.0
CZ H:PHE495 4.8 25.0 1.0
CB H:PHE495 4.9 25.3 1.0
CG H:LEU494 4.9 22.7 1.0

Reference:

P.Abayakoon, Y.Jin, J.P.Lingford, M.Petricevic, A.John, E.Ryan, J.Wai-Ying Mui, D.E.V.Pires, D.B.Ascher, G.J.Davies, E.D.Goddard-Borger, S.J.Williams. Structural and Biochemical Insights Into the Function and Evolution of Sulfoquinovosidases. Acs Cent Sci V. 4 1266 2018.
ISSN: ESSN 2374-7943
PubMed: 30276262
DOI: 10.1021/ACSCENTSCI.8B00453
Page generated: Fri Jul 26 14:30:32 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy