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Chlorine in PDB 6hy8: Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)

Enzymatic activity of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)

All present enzymatic activity of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl):
3.2.1.17;

Protein crystallography data

The structure of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hy8 was solved by L.Vandebroek, L.Van Meervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.42 / 1.22
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.841, 78.841, 37.193, 90.00, 90.00, 90.00
R / Rfree (%) 13.8 / 15.5

Other elements in 6hy8:

The structure of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) also contains other interesting chemical elements:

Tungsten (W) 17 atoms
Potassium (K) 1 atom
Copper (Cu) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) (pdb code 6hy8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hy8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6hy8

Go back to Chlorine Binding Sites List in 6hy8
Chlorine binding site 1 out of 4 in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:18.9
occ:1.00
 HD21 A:ASN65 2.3 16.6 1.0
O A:HOH463 2.8 24.4 1.0
ND2 A:ASN65 3.1 13.8 1.0
HA3 A:GLY67 3.1 14.7 1.0
HD22 A:ASN65 3.5 16.6 1.0
O A:HOH443 3.5 37.5 1.0
HA2 A:GLY67 3.5 14.7 1.0
CA A:GLY67 3.7 12.2 1.0
N A:GLY67 4.0 11.2 1.0
CG A:ASN65 4.1 13.0 1.0
H A:GLY67 4.2 13.4 1.0
OD1 A:ASN65 4.3 13.6 1.0
O A:HOH354 4.5 25.8 1.0
C A:ASP66 4.7 10.5 1.0
O A:ASP66 4.9 11.0 1.0

Chlorine binding site 2 out of 4 in 6hy8

Go back to Chlorine Binding Sites List in 6hy8
Chlorine binding site 2 out of 4 in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:14.7
occ:0.49
 CL A:CL204 0.0 14.7 0.5
CL A:CL204 0.8 13.6 0.4
H A:GLY26 2.3 14.6 1.0
HG A:SER24 2.9 19.7 1.0
HB2 A:SER24 2.9 18.0 1.0
HD11 A:ILE124 2.9 27.9 1.0
HA3 A:GLY26 3.0 14.6 1.0
HA A:GLN121 3.0 21.6 1.0
N A:GLY26 3.0 12.2 1.0
OG A:SER24 3.1 16.4 1.0
HD13 A:ILE124 3.2 27.9 1.0
CD1 A:ILE124 3.4 23.2 1.0
CB A:SER24 3.5 15.0 1.0
HG12 A:ILE124 3.5 24.8 1.0
CA A:GLY26 3.5 12.2 1.0
HG2 A:GLN121 3.7 29.6 1.0
HG23 A:VAL120 3.7 21.3 1.0
CA A:GLN121 3.9 18.0 1.0
H A:LEU25 3.9 16.0 1.0
HB2 A:GLN121 3.9 26.2 1.0
N A:LEU25 4.0 13.3 1.0
CG1 A:ILE124 4.0 20.7 1.0
HB3 A:LEU25 4.0 16.4 1.0
HA2 A:GLY26 4.1 14.6 1.0
HB3 A:SER24 4.1 18.0 1.0
C A:LEU25 4.2 12.5 1.0
CB A:GLN121 4.2 21.9 1.0
C A:SER24 4.3 13.0 1.0
H A:ASN27 4.3 13.3 1.0
HD12 A:ILE124 4.3 27.9 1.0
N A:GLN121 4.3 16.7 1.0
CG A:GLN121 4.4 24.7 1.0
CA A:SER24 4.5 13.2 1.0
O A:VAL120 4.5 14.7 1.0
HG13 A:ILE124 4.5 24.8 1.0
CA A:LEU25 4.5 13.3 1.0
C A:VAL120 4.6 14.9 1.0
HG3 A:GLN121 4.6 29.6 1.0
C A:GLY26 4.6 10.9 1.0
CG2 A:VAL120 4.7 17.8 1.0
H A:GLN121 4.7 20.0 1.0
HG21 A:ILE124 4.7 21.7 1.0
N A:ASN27 4.8 11.1 1.0
CB A:LEU25 4.8 13.6 1.0
O A:SER24 4.8 13.1 1.0
HG23 A:ILE124 4.8 21.7 1.0
HG21 A:VAL120 4.9 21.3 1.0
HA A:SER24 4.9 15.8 1.0
O A:HOH389 5.0 16.1 0.7
C A:GLN121 5.0 16.6 1.0

Chlorine binding site 3 out of 4 in 6hy8

Go back to Chlorine Binding Sites List in 6hy8
Chlorine binding site 3 out of 4 in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:13.6
occ:0.44
 CL A:CL204 0.0 13.6 0.4
CL A:CL204 0.8 14.7 0.5
HG A:SER24 2.5 19.7 1.0
H A:GLY26 2.5 14.6 1.0
HA A:GLN121 2.7 21.6 1.0
HA3 A:GLY26 2.8 14.6 1.0
OG A:SER24 2.9 16.4 1.0
HG23 A:VAL120 3.0 21.3 1.0
HB2 A:SER24 3.1 18.0 1.0
N A:GLY26 3.2 12.2 1.0
CA A:GLY26 3.5 12.2 1.0
CA A:GLN121 3.5 18.0 1.0
HB2 A:GLN121 3.5 26.2 1.0
CB A:SER24 3.5 15.0 1.0
HD11 A:ILE124 3.5 27.9 1.0
N A:GLN121 3.7 16.7 1.0
HG2 A:GLN121 3.8 29.6 1.0
HG12 A:ILE124 3.8 24.8 1.0
HD13 A:ILE124 3.9 27.9 1.0
CB A:GLN121 3.9 21.9 1.0
CG2 A:VAL120 3.9 17.8 1.0
C A:VAL120 4.0 14.9 1.0
H A:ASN27 4.0 13.3 1.0
H A:GLN121 4.0 20.0 1.0
O A:VAL120 4.1 14.7 1.0
CD1 A:ILE124 4.1 23.2 1.0
HB3 A:SER24 4.1 18.0 1.0
HA2 A:GLY26 4.1 14.6 1.0
HG21 A:VAL120 4.2 21.3 1.0
CG A:GLN121 4.3 24.7 1.0
H A:LEU25 4.4 16.0 1.0
N A:LEU25 4.4 13.3 1.0
C A:GLY26 4.4 10.9 1.0
C A:SER24 4.5 13.0 1.0
HG22 A:VAL120 4.5 21.3 1.0
CG1 A:ILE124 4.5 20.7 1.0
HB A:VAL120 4.5 19.3 1.0
C A:LEU25 4.5 12.5 1.0
N A:ASN27 4.5 11.1 1.0
HG3 A:GLN121 4.6 29.6 1.0
CA A:SER24 4.6 13.2 1.0
CB A:VAL120 4.7 16.1 1.0
HB3 A:LEU25 4.7 16.4 1.0
C A:GLN121 4.8 16.6 1.0
HD22 A:ASN27 4.8 15.4 1.0
HB3 A:GLN121 4.8 26.2 1.0
O A:SER24 4.8 13.1 1.0
HG13 A:ILE124 4.9 24.8 1.0
CA A:LEU25 5.0 13.3 1.0
CA A:VAL120 5.0 15.6 1.0
HD12 A:ILE124 5.0 27.9 1.0

Chlorine binding site 4 out of 4 in 6hy8

Go back to Chlorine Binding Sites List in 6hy8
Chlorine binding site 4 out of 4 in the Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cu(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:14.6
occ:1.00
 HD22 A:ASN113 2.5 15.8 1.0
HA A:ALA110 2.9 17.7 1.0
HB2 A:ASN113 2.9 13.7 1.0
ND2 A:ASN113 3.3 13.2 1.0
HG12 A:VAL109 3.4 24.5 1.0
HD2 A:ARG114 3.5 13.9 1.0
CB A:ASN113 3.6 11.4 1.0
HB3 A:ASN113 3.7 13.7 1.0
HG3 A:ARG114 3.7 14.2 1.0
CA A:ALA110 3.8 14.8 1.0
HB2 A:ALA110 3.9 20.2 1.0
HD21 A:ASN113 4.0 15.8 1.0
CG A:ASN113 4.0 12.6 1.0
O A:VAL109 4.2 14.7 1.0
N A:ALA110 4.2 14.6 1.0
CD A:ARG114 4.3 11.6 1.0
CB A:ALA110 4.3 16.9 1.0
CG1 A:VAL109 4.3 20.5 1.0
HB1 A:ALA110 4.4 20.2 1.0
HD3 A:ARG114 4.4 13.9 1.0
C A:VAL109 4.4 14.8 1.0
CG A:ARG114 4.4 11.8 1.0
HG11 A:VAL109 4.5 24.5 1.0
H A:ALA110 4.7 17.5 1.0
HG13 A:VAL109 4.7 24.5 1.0
HH11 A:ARG114 4.8 16.4 1.0
HG2 A:ARG114 4.8 14.2 1.0
H A:ASN113 4.8 13.5 1.0
C A:ALA110 4.9 13.0 1.0
O A:ALA110 4.9 12.7 1.0
O A:HOH436 4.9 28.3 1.0
CA A:ASN113 5.0 11.4 1.0

Reference:

L.Vandebroek, Y.Mampaey, S.Antonyuk, L.Van Meervelt, T.N.Parac-Vogt. Noncovalent Complexes Formed Between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme Eur J Inorg Chem 2019.
ISSN: ESSN 1099-0682
DOI: 10.1002/EJIC.201801113
Page generated: Sun Jul 28 01:21:50 2024

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