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Chlorine in PDB 6hy4: Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)

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

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

Protein crystallography data

The structure of Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hy4 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) 30.92 / 1.83
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.734, 78.734, 37.179, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.5

Other elements in 6hy4:

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

Tungsten (W) 17 atoms
Cobalt (Co) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) (pdb code 6hy4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hy4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6hy4

Go back to Chlorine Binding Sites List in 6hy4
Chlorine binding site 1 out of 5 in the Co(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 Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:37.0
occ:0.52
 CL A:CL202 0.0 37.0 0.5
HD22 A:ASN65 2.4 45.9 1.0
CL A:CL202 2.6 38.1 0.5
ND2 A:ASN65 3.2 37.6 1.0
HB3 A:ASN65 3.2 31.8 1.0
HB3 A:PRO79 3.4 29.6 1.0
O A:HOH366 3.6 37.6 1.0
HD21 A:ASN65 3.6 45.9 1.0
O A:HOH362 3.7 49.8 1.0
HA A:PRO79 3.9 28.6 1.0
CB A:ASN65 4.0 25.9 1.0
CG A:ASN65 4.0 30.8 1.0
HD3 A:PRO79 4.1 27.3 1.0
CB A:PRO79 4.2 24.1 1.0
HD21 A:ASN74 4.3 37.8 1.0
N A:PRO79 4.3 23.6 1.0
CA A:PRO79 4.4 23.2 1.0
HB2 A:ASN65 4.4 31.8 1.0
CD A:PRO79 4.6 22.2 1.0
HG3 A:PRO79 4.6 32.0 1.0
HD22 A:ASN74 4.6 37.8 1.0
ND2 A:ASN74 4.7 30.9 1.0
C A:ILE78 4.7 24.6 1.0
CG A:PRO79 4.7 26.1 1.0
O A:ASN65 4.9 25.7 1.0
O A:ILE78 4.9 26.4 1.0

Chlorine binding site 2 out of 5 in 6hy4

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Chlorine binding site 2 out of 5 in the Co(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 Co(II)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:38.1
occ:0.48
 CL A:CL202 0.0 38.1 0.5
HD21 A:ASN74 2.5 37.8 1.0
CL A:CL202 2.6 37.0 0.5
HD3 A:PRO79 3.1 27.3 1.0
HA A:ILE78 3.3 34.8 1.0
ND2 A:ASN74 3.3 30.9 1.0
C A:ILE78 3.4 24.6 1.0
HD22 A:ASN74 3.5 37.8 1.0
N A:PRO79 3.6 23.6 1.0
CA A:ILE78 3.6 28.4 1.0
N A:ILE78 3.7 28.5 1.0
HB3 A:ASN65 3.8 31.8 1.0
CD A:PRO79 3.8 22.2 1.0
O A:ILE78 3.9 26.4 1.0
H A:ILE78 3.9 34.9 1.0
C A:ASN77 4.0 35.9 1.0
O A:ASN77 4.1 30.9 1.0
HA A:PRO79 4.2 28.6 1.0
OD1 A:ASN77 4.2 53.8 1.0
O A:HOH362 4.2 49.8 1.0
HA A:ASN77 4.3 44.4 1.0
HD22 A:ASN65 4.3 45.9 1.0
CA A:PRO79 4.4 23.2 1.0
HB3 A:PRO79 4.4 29.6 1.0
CG A:ASN74 4.4 32.1 1.0
HD2 A:PRO79 4.5 27.3 1.0
CB A:ASN65 4.7 25.9 1.0
HB2 A:ASN65 4.7 31.8 1.0
CA A:ASN77 4.7 36.4 1.0
CG A:PRO79 4.8 26.1 1.0
CG A:ASN77 4.8 61.8 1.0
OD1 A:ASN74 4.8 26.7 1.0
HG3 A:PRO79 4.8 32.0 1.0
CB A:PRO79 4.8 24.1 1.0
H A:ASN65 4.8 27.6 1.0

Chlorine binding site 3 out of 5 in 6hy4

Go back to Chlorine Binding Sites List in 6hy4
Chlorine binding site 3 out of 5 in the Co(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 Co(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:32.4
occ:1.00
 HH A:TYR23 2.3 25.1 1.0
OH A:TYR23 2.9 20.4 1.0
HE2 A:TYR23 3.2 23.1 1.0
HA3 A:GLY104 3.3 31.7 1.0
CZ A:TYR23 3.6 21.6 1.0
CE2 A:TYR23 3.7 18.7 1.0
HA2 A:GLY104 3.8 31.7 1.0
CA A:GLY104 4.0 25.9 1.0
O A:ARG21 4.6 28.2 1.0
H A:MET105 4.6 23.5 1.0
N A:GLY104 4.7 23.6 1.0
O A:HOH324 4.7 32.8 1.0
CE1 A:TYR23 4.8 21.2 1.0
HH11 A:ARG21 4.9 63.1 1.0
H A:GLY104 4.9 29.1 1.0
CD2 A:TYR23 4.9 20.9 1.0
HB3 A:ARG21 5.0 38.5 1.0

Chlorine binding site 4 out of 5 in 6hy4

Go back to Chlorine Binding Sites List in 6hy4
Chlorine binding site 4 out of 5 in the Co(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 Co(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:35.3
occ:0.46
 CL A:CL204 0.0 35.3 0.5
CL A:CL204 1.6 42.2 0.5
O A:HOH368 1.8 33.9 0.5
O A:HOH368 3.2 34.5 0.5
O A:ALA122 3.8 31.0 1.0
HA A:TRP123 3.9 34.0 1.0
HD2 A:ARG5 3.9 43.8 1.0
HD3 A:ARG5 4.1 43.8 1.0
NE A:ARG5 4.3 37.3 1.0
CD A:ARG5 4.4 35.9 1.0
CE3 A:TRP123 4.4 29.5 1.0
HB1 A:ALA122 4.5 42.3 1.0
HE3 A:TRP123 4.5 36.1 1.0
CZ A:ARG5 4.6 42.6 1.0
CZ3 A:TRP123 4.6 32.6 1.0
C A:ALA122 4.6 28.8 1.0
HE A:ARG5 4.7 45.4 1.0
HZ3 A:TRP123 4.7 39.9 1.0
HH11 A:ARG5 4.8 42.9 1.0
CA A:TRP123 4.8 27.8 1.0
CD2 A:TRP123 4.8 24.9 1.0
NH1 A:ARG5 4.8 35.2 1.0

Chlorine binding site 5 out of 5 in 6hy4

Go back to Chlorine Binding Sites List in 6hy4
Chlorine binding site 5 out of 5 in the Co(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 5 of Co(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:42.2
occ:0.54
 CL A:CL204 0.0 42.2 0.5
CL A:CL204 1.6 35.3 0.5
O A:HOH368 1.7 34.5 0.5
O A:HOH368 3.1 33.9 0.5
HB1 A:ALA122 4.0 42.3 1.0
HA A:TRP123 4.0 34.0 1.0
O A:ALA122 4.2 31.0 1.0
CD2 A:TRP123 4.2 24.9 1.0
CE2 A:TRP123 4.2 31.3 1.0
CE3 A:TRP123 4.2 29.5 1.0
CZ3 A:TRP123 4.2 32.6 1.0
CZ2 A:TRP123 4.2 33.2 1.0
CH2 A:TRP123 4.2 33.3 1.0
HB3 A:ALA122 4.5 42.3 1.0
HE3 A:TRP123 4.6 36.1 1.0
C A:ALA122 4.6 28.8 1.0
HZ3 A:TRP123 4.6 39.9 1.0
HH2 A:TRP123 4.6 40.6 1.0
HZ2 A:TRP123 4.7 40.5 1.0
CB A:ALA122 4.7 34.7 1.0
NE1 A:TRP123 4.8 30.1 1.0
CG A:TRP123 4.8 30.2 1.0
CA A:TRP123 4.9 27.8 1.0
N A:TRP123 4.9 32.1 1.0
HD2 A:ARG5 5.0 43.8 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 01:21:24 2024

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