Chlorine in PDB 6f2j: Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Sodium Sulfate

Enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Sodium Sulfate

All present enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Sodium Sulfate:
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 Sodium Sulfate, PDB code: 6f2j 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) 34.84 / 1.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.915, 77.915, 37.738, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 17.9

Other elements in 6f2j:

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

Terbium (Tb) 3 atoms
Sodium (Na) 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 Sodium Sulfate (pdb code 6f2j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 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 Sodium Sulfate, PDB code: 6f2j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6f2j

Go back to Chlorine Binding Sites List in 6f2j
Chlorine binding site 1 out of 2 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Sodium Sulfate


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 Sodium Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:18.3
occ:1.00
HG A:SER24 2.1 15.9 1.0
H A:GLY26 2.2 11.3 1.0
HA A:GLN121 2.7 16.4 1.0
HA3 A:GLY26 2.8 10.9 1.0
HB2 A:SER24 2.9 15.5 1.0
O A:HOH445 3.0 36.0 1.0
OG A:SER24 3.1 16.5 1.0
N A:GLY26 3.1 9.3 1.0
HD11 A:ILE124 3.2 30.4 1.0
HG23 A:VAL120 3.4 18.7 1.0
HB2 A:GLN121 3.4 20.8 1.0
CA A:GLY26 3.5 9.4 1.0
CB A:SER24 3.5 14.4 1.0
HD13 A:ILE124 3.5 30.0 1.0
HG12 A:ILE124 3.6 21.2 1.0
CA A:GLN121 3.6 17.6 1.0
CD1 A:ILE124 3.8 30.3 1.0
HG2 A:GLN121 3.8 34.3 1.0
H A:LEU25 4.0 9.8 1.0
CB A:GLN121 4.0 19.6 1.0
N A:GLN121 4.0 16.7 1.0
H A:ASN27 4.1 10.4 1.0
N A:LEU25 4.1 10.0 1.0
HB3 A:LEU25 4.1 9.9 1.0
HA2 A:GLY26 4.2 8.2 1.0
HB3 A:SER24 4.2 17.1 1.0
C A:LEU25 4.2 10.3 1.0
CG1 A:ILE124 4.2 21.9 1.0
C A:SER24 4.3 12.6 1.0
CG A:GLN121 4.4 35.2 1.0
H A:GLN121 4.4 17.3 1.0
C A:VAL120 4.4 17.3 1.0
CG2 A:VAL120 4.5 19.0 1.0
O A:VAL120 4.5 16.0 1.0
CA A:SER24 4.5 11.1 1.0
C A:GLY26 4.5 9.8 1.0
CA A:LEU25 4.6 10.1 1.0
N A:ASN27 4.6 9.1 1.0
O A:SER24 4.7 11.9 1.0
HG3 A:GLN121 4.7 36.0 1.0
HG21 A:VAL120 4.8 19.1 1.0
HD12 A:ILE124 4.8 30.0 1.0
HG13 A:ILE124 4.8 19.7 1.0
C A:GLN121 4.8 18.6 1.0
O A:HOH396 4.9 17.8 1.0
HD22 A:ASN27 4.9 13.2 1.0
CB A:LEU25 4.9 10.6 1.0
HB A:VAL120 5.0 16.6 1.0
HB3 A:GLN121 5.0 17.9 1.0
O A:GLN121 5.0 18.3 1.0

Chlorine binding site 2 out of 2 in 6f2j

Go back to Chlorine Binding Sites List in 6f2j
Chlorine binding site 2 out of 2 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Sodium Sulfate


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 Sodium Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:20.4
occ:1.00
H A:THR69 2.3 13.7 1.0
HG A:SER72 3.0 17.1 1.0
O A:HOH374 3.1 14.6 1.0
O A:HOH489 3.2 33.9 1.0
HA2 A:GLY67 3.2 14.3 1.0
H A:GLY67 3.2 12.5 1.0
O A:THR69 3.3 18.1 1.0
O A:HOH362 3.3 31.2 1.0
N A:THR69 3.3 15.7 1.0
O A:HOH432 3.3 36.9 1.0
H A:ARG68 3.6 14.5 1.0
C A:THR69 3.6 18.6 1.0
C A:GLY67 3.6 17.3 1.0
CA A:GLY67 3.6 13.8 1.0
N A:ARG68 3.6 15.8 1.0
OD1 A:ASN65 3.7 15.9 1.0
N A:GLY67 3.7 12.5 1.0
HB A:THR69 3.7 15.3 1.0
OG A:SER72 3.7 17.1 1.0
CA A:THR69 3.9 16.0 1.0
O A:HOH419 4.0 16.9 1.0
HA A:PRO70 4.1 20.2 1.0
H A:ASP66 4.1 9.6 1.0
O A:GLY67 4.2 18.2 1.0
CB A:THR69 4.3 15.6 1.0
N A:PRO70 4.3 17.7 1.0
OD1 A:ASP66 4.3 12.0 1.0
C A:ARG68 4.4 19.5 1.0
H A:SER72 4.4 17.8 1.0
HG1 A:THR69 4.4 13.7 1.0
CA A:ARG68 4.5 16.1 1.0
HA A:ARG68 4.6 16.2 1.0
HA3 A:GLY67 4.7 14.7 1.0
NA A:NA204 4.7 14.3 1.0
HA A:ASN65 4.7 10.5 1.0
CA A:PRO70 4.8 19.9 1.0
C A:ASP66 4.8 14.6 1.0
N A:ASP66 4.9 11.4 1.0
CG A:ASN65 4.9 19.4 1.0
HA A:THR69 4.9 16.6 1.0
OG1 A:THR69 5.0 13.0 1.0
CB A:SER72 5.0 17.8 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 1521-3765
PubMed: 29806881
DOI: 10.1002/CHEM.201802172
Page generated: Sat Dec 12 12:57:36 2020

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