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Chlorine in PDB 6f2k: Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.

Enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.

All present enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic., PDB code: 6f2k was solved by S.Engilberge, F.Riobe, S.Di Pietro, E.Girard, E.Dumont, O.Maury, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.04 / 1.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.359, 78.359, 37.404, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 24

Other elements in 6f2k:

The structure of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic. also contains other interesting chemical elements:

Terbium (Tb) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic. (pdb code 6f2k). 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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic., PDB code: 6f2k:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6f2k

Go back to Chlorine Binding Sites List in 6f2k
Chlorine binding site 1 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.


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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:34.7
occ:1.00
HD21 A:ASN65 2.1 23.0 1.0
HB3 A:PRO79 2.8 16.0 1.0
HB3 A:ASN65 2.8 16.5 1.0
HA A:PRO79 3.1 14.5 1.0
ND2 A:ASN65 3.1 22.3 1.0
O A:HOH428 3.2 22.9 1.0
CB A:PRO79 3.7 16.2 1.0
CA A:PRO79 3.7 14.6 1.0
HD22 A:ASN65 3.8 22.7 1.0
CB A:ASN65 3.8 17.9 1.0
CG A:ASN65 3.9 26.8 1.0
N A:PRO79 4.0 17.4 1.0
HD3 A:PRO79 4.1 19.1 1.0
O A:ASN65 4.2 17.1 1.0
HB2 A:ASN65 4.3 17.5 1.0
HD22 A:ASN74 4.4 22.2 1.0
HG3 A:PRO79 4.4 21.4 1.0
CG A:PRO79 4.4 21.8 1.0
CD A:PRO79 4.4 18.6 1.0
HB2 A:PRO79 4.5 16.1 1.0
C A:ILE78 4.5 20.2 1.0
H A:ASN65 4.7 14.1 1.0
O A:ILE78 4.7 19.4 1.0
C A:ASN65 4.8 16.6 1.0
HD21 A:ASN74 4.8 22.1 1.0
CA A:ASN65 4.8 15.2 1.0
ND2 A:ASN74 4.9 21.5 1.0
O A:HOH412 4.9 17.4 1.0

Chlorine binding site 2 out of 3 in 6f2k

Go back to Chlorine Binding Sites List in 6f2k
Chlorine binding site 2 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.


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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:22.8
occ:1.00
H A:THR69 2.2 14.9 1.0
HG A:SER72 2.9 23.6 1.0
O A:HOH450 3.0 32.0 1.0
O A:HOH378 3.1 17.7 1.0
O A:THR69 3.1 19.2 1.0
N A:THR69 3.2 15.3 1.0
H A:GLY67 3.2 15.9 1.0
HA2 A:GLY67 3.3 20.9 1.0
H A:ARG68 3.5 16.0 1.0
C A:THR69 3.5 20.0 1.0
HB A:THR69 3.5 17.9 1.0
N A:ARG68 3.6 17.1 1.0
OG A:SER72 3.6 23.4 1.0
C A:GLY67 3.6 23.2 1.0
O A:HOH381 3.7 35.8 1.0
CA A:GLY67 3.7 18.4 1.0
N A:GLY67 3.7 16.8 1.0
OD1 A:ASN65 3.7 21.2 1.0
CA A:THR69 3.8 16.6 1.0
O A:HOH382 4.0 24.2 1.0
O A:GLY67 4.1 23.9 1.0
H A:ASP66 4.1 13.6 1.0
CB A:THR69 4.2 17.4 1.0
C A:ARG68 4.2 19.8 1.0
OD1 A:ASP66 4.2 16.5 1.0
HA A:PRO70 4.3 21.8 1.0
CA A:ARG68 4.3 17.4 1.0
N A:PRO70 4.4 19.5 1.0
H A:SER72 4.4 23.8 1.0
HA A:ARG68 4.5 17.9 1.0
O A:HOH301 4.7 12.2 1.0
HA3 A:GLY67 4.8 16.6 1.0
OG1 A:THR69 4.8 15.3 1.0
C A:ASP66 4.8 19.3 1.0
HA A:ASN65 4.8 15.2 1.0
CA A:PRO70 4.8 20.9 1.0
HA A:THR69 4.9 14.9 1.0
CB A:SER72 4.9 21.6 1.0
N A:ASP66 4.9 14.1 1.0
CG A:ASN65 4.9 26.8 1.0
O A:HOH350 5.0 39.1 0.5

Chlorine binding site 3 out of 3 in 6f2k

Go back to Chlorine Binding Sites List in 6f2k
Chlorine binding site 3 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic.


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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Phosphate Monobasic. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:23.1
occ:1.00
HH A:TYR23 2.0 15.5 1.0
OH A:TYR23 2.9 17.0 1.0
HE2 A:TYR23 3.0 16.3 1.0
O A:HOH419 3.1 33.3 1.0
HA3 A:GLY104 3.3 13.6 1.0
O A:HOH332 3.5 24.2 1.0
CZ A:TYR23 3.6 16.2 1.0
CE2 A:TYR23 3.6 15.2 1.0
CA A:GLY104 4.3 14.6 1.0
HA2 A:GLY104 4.3 16.8 1.0
HH21 A:ARG21 4.4 35.8 0.5
O A:ARG21 4.5 20.7 1.0
H A:MET105 4.6 16.3 1.0
HB3 A:ARG21 4.7 17.8 1.0
HE A:ARG21 4.7 37.2 0.5
CE1 A:TYR23 4.8 14.6 1.0
CD2 A:TYR23 4.8 14.7 1.0
N A:GLY104 4.9 15.1 1.0

Reference:

S.Engilberge, F.Riobe, T.Wagner, S.Di Pietro, C.Breyton, B.Franzetti, S.Shima, E.Girard, E.Dumont, O.Maury. Unveiling the Binding Modes of the Crystallophore, A Terbium-Based Nucleating and Phasing Molecular Agent For Protein Crystallography. Chemistry V. 24 9739 2018.
ISSN: ISSN 0947-6539
PubMed: 29806881
DOI: 10.1002/CHEM.201802172
Page generated: Sat Jul 27 22:55:46 2024

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