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Chlorine in PDB 4n0j: Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution

Enzymatic activity of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution

All present enzymatic activity of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution, PDB code: 4n0j was solved by R.E.Mcgovern, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.20 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.850, 30.200, 94.210, 90.00, 96.31, 90.00
R / Rfree (%) 16.8 / 21

Other elements in 4n0j:

The structure of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution (pdb code 4n0j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution, PDB code: 4n0j:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4n0j

Go back to Chlorine Binding Sites List in 4n0j
Chlorine binding site 1 out of 3 in the Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:15.9
occ:1.00
 OG A:SER24 3.2 10.5 1.0
N A:GLY26 3.2 9.4 1.0
CB A:SER24 3.5 10.2 1.0
CA A:GLN121 3.6 10.8 1.0
CA A:GLY26 3.6 9.1 1.0
CG A:GLN121 3.8 12.9 1.0
CB A:GLN121 3.9 11.8 1.0
CD1 A:ILE124 3.9 12.1 1.0
N A:GLN121 3.9 10.0 1.0
N A:LEU25 4.1 9.8 1.0
C A:SER24 4.2 9.7 1.0
CG2 A:VAL120 4.2 9.7 1.0
C A:VAL120 4.3 9.8 1.0
C A:LEU25 4.4 9.7 1.0
O A:VAL120 4.4 9.2 1.0
CG1 A:ILE124 4.4 11.6 1.0
O A:HOH335 4.4 31.2 1.0
CA A:SER24 4.5 10.0 1.0
O A:SER24 4.6 9.8 1.0
C A:GLY26 4.6 9.0 1.0
CA A:LEU25 4.6 9.8 1.0
N A:ASN27 4.7 9.0 1.0
C A:GLN121 4.8 10.5 1.0
O A:HOH327 4.9 36.8 1.0
CB A:LEU25 4.9 10.0 1.0
CD A:GLN121 5.0 13.9 1.0

Chlorine binding site 2 out of 3 in 4n0j

Go back to Chlorine Binding Sites List in 4n0j
Chlorine binding site 2 out of 3 in the Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:27.9
occ:1.00
 N B:CYS6 3.3 12.3 1.0
O B:HOH302 3.4 36.8 1.0
C B:GLY4 3.4 11.5 1.0
CA B:GLY4 3.4 11.5 1.0
N B:GLU7 3.5 11.2 1.0
CB B:CYS6 3.5 13.6 1.0
N B:ARG5 3.6 11.5 1.0
CA B:CYS6 3.8 12.5 1.0
CG B:GLU7 3.8 12.6 0.5
CG B:GLU7 3.9 10.8 0.5
O B:GLY4 3.9 11.1 1.0
C B:CYS6 4.1 11.8 1.0
C B:ARG5 4.2 12.0 1.0
OE1 B:GLU7 4.2 13.8 0.5
CD B:GLU7 4.3 10.7 0.5
N B:GLY4 4.3 11.3 1.0
SG B:CYS6 4.4 15.1 1.0
CB B:GLU7 4.4 10.8 0.5
CB B:GLU7 4.4 11.8 0.5
CA B:ARG5 4.5 12.2 1.0
CD B:GLU7 4.5 13.2 0.5
CA B:GLU7 4.5 11.3 0.5
CA B:GLU7 4.5 10.9 0.5
OE1 B:GLU7 4.5 10.8 0.5
O B:HOH336 4.7 25.2 1.0
CG B:ARG5 4.8 13.4 1.0
OE2 B:GLU7 5.0 10.4 0.5

Chlorine binding site 3 out of 3 in 4n0j

Go back to Chlorine Binding Sites List in 4n0j
Chlorine binding site 3 out of 3 in the Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Dimethyllysine Hen Egg-White Lysozyme in Complex with SCLX4 at 1.9 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:10.5
occ:1.00
 OG B:SER24 3.0 9.4 1.0
O B:HOH352 3.1 24.2 1.0
O3 B:GOL206 3.1 33.5 1.0
N B:GLY26 3.2 7.9 1.0
CB B:SER24 3.5 8.9 1.0
CA B:GLY26 3.6 7.6 1.0
CA B:GLN121 3.6 13.0 1.0
N B:GLN121 3.9 12.8 1.0
CB B:GLN121 3.9 14.5 1.0
CD1 B:ILE124 4.1 14.1 1.0
N B:LEU25 4.1 8.1 1.0
CG2 B:VAL120 4.2 13.0 1.0
C B:SER24 4.2 8.6 1.0
CG B:GLN121 4.2 16.4 1.0
C B:VAL120 4.2 12.9 1.0
O B:VAL120 4.3 12.3 1.0
O2 B:GOL206 4.3 33.4 1.0
C B:LEU25 4.3 7.9 1.0
CG1 B:ILE124 4.4 13.6 1.0
C3 B:GOL206 4.5 36.1 1.0
CA B:SER24 4.5 8.9 1.0
O B:SER24 4.6 8.4 1.0
C B:GLY26 4.6 7.5 1.0
CA B:LEU25 4.7 8.1 1.0
N B:ASN27 4.7 7.4 1.0
C1 B:GOL206 4.8 36.5 1.0
C2 B:GOL206 4.8 35.7 1.0
C B:GLN121 4.9 12.6 1.0
CB B:LEU25 4.9 7.9 1.0
CB B:VAL120 5.0 13.0 1.0

Reference:

R.E.Mcgovern, B.D.Snarr, J.A.Lyons, J.Mcfarlane, A.L.Whiting, I.Paci, F.Hof, P.B.Crowley. Structural Study of A Small Molecule Receptor Bound to Dimethyllysine in Lysozyme Chem.Sci. 2015.
DOI: 10.1039/C4SC02383H
Page generated: Sat Dec 12 10:57:33 2020

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