Chlorine in PDB 8owc: Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4, PDB code: 8owc was solved by Z.Alsalman, E.Girard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.75 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.474, 77.474, 37.491, 90, 90, 90
R / Rfree (%) 17.5 / 20.9

Other elements in 8owc:

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 also contains other interesting chemical elements:

Sodium (Na) 1 atom
Terbium (Tb) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 (pdb code 8owc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4, PDB code: 8owc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 8owc

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Chlorine binding site 1 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


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 with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:34.0
occ:1.00
HH A:TYR23 2.4 30.4 1.0
OH A:TYR23 3.0 25.4 1.0
HE2 A:TYR23 3.2 28.3 1.0
HA3 A:GLY104 3.5 26.5 1.0
O A:HOH343 3.6 35.2 1.0
O A:HOH373 3.6 31.1 1.0
CZ A:TYR23 3.7 23.6 1.0
CE2 A:TYR23 3.7 23.6 1.0
CA A:GLY104 4.3 22.1 1.0
HA2 A:GLY104 4.3 26.5 1.0
O A:ARG21 4.6 27.4 1.0
H A:MET105 4.7 28.2 1.0
HH21 A:ARG21 4.8 55.4 0.5
CE1 A:TYR23 4.8 21.1 1.0
HB3 A:ARG21 4.9 38.0 1.0
N A:GLY104 4.9 24.0 1.0
CD2 A:TYR23 4.9 23.2 1.0

Chlorine binding site 2 out of 7 in 8owc

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Chlorine binding site 2 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


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 with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:32.8
occ:1.00
H A:GLY26 2.4 28.8 1.0
HG A:SER24 2.7 30.8 1.0
HA A:GLN121 2.7 39.1 1.0
HB2 A:SER24 2.9 31.2 1.0
HA3 A:GLY26 2.9 30.2 1.0
OG A:SER24 3.1 25.7 1.0
N A:GLY26 3.2 24.0 1.0
HD12 A:ILE124 3.3 53.6 1.0
HG23 A:VAL120 3.4 39.4 1.0
HD13 A:ILE124 3.5 53.6 1.0
HB2 A:GLN121 3.5 49.0 1.0
CB A:SER24 3.5 26.0 1.0
CA A:GLY26 3.5 25.2 1.0
CA A:GLN121 3.5 32.7 1.0
HG2 A:GLN121 3.7 60.3 1.0
HG12 A:ILE124 3.7 46.2 1.0
CD1 A:ILE124 3.8 44.8 1.0
CB A:GLN121 3.9 40.8 1.0
N A:GLN121 4.0 32.9 1.0
H A:LEU25 4.1 29.7 1.0
HB3 A:SER24 4.1 31.2 1.0
N A:LEU25 4.2 24.8 1.0
HA2 A:GLY26 4.2 30.2 1.0
H A:ASN27 4.2 28.2 1.0
CG A:GLN121 4.2 50.3 1.0
H A:GLN121 4.3 39.4 1.0
CG1 A:ILE124 4.3 38.6 1.0
O A:VAL120 4.3 31.4 1.0
CG2 A:VAL120 4.3 32.9 1.0
C A:VAL120 4.3 37.8 1.0
C A:SER24 4.3 25.3 1.0
HB3 A:LEU25 4.3 30.6 1.0
C A:LEU25 4.4 24.7 1.0
HG3 A:GLN121 4.5 60.3 1.0
CA A:SER24 4.6 25.3 1.0
C A:GLY26 4.6 24.4 1.0
HD11 A:ILE124 4.7 53.6 1.0
N A:ASN27 4.7 23.6 1.0
HG22 A:VAL120 4.7 39.4 1.0
HG23 A:ILE124 4.7 36.0 1.0
CA A:LEU25 4.7 24.4 1.0
HG21 A:VAL120 4.7 39.4 1.0
C A:GLN121 4.8 32.4 1.0
HB3 A:GLN121 4.8 49.0 1.0
O A:SER24 4.8 25.4 1.0
HG13 A:ILE124 4.9 46.2 1.0
HD22 A:ASN27 4.9 32.5 1.0
HG21 A:ILE124 5.0 36.0 1.0
O A:GLN121 5.0 31.2 1.0
HB A:VAL120 5.0 33.1 1.0

Chlorine binding site 3 out of 7 in 8owc

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Chlorine binding site 3 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


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 with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:40.5
occ:1.00
H A:ILE88 2.5 35.7 1.0
HG12 A:ILE88 2.7 33.8 1.0
HA A:ASP87 2.9 31.9 1.0
HE1 A:HIS15 3.2 41.2 1.0
HH22 A:ARG14 3.3 46.5 1.0
HZ A:PHE3 3.4 37.0 1.0
N A:ILE88 3.4 29.8 1.0
HB3 A:ALA11 3.4 32.2 1.0
HG22 A:ILE88 3.5 34.9 1.0
O A:HOH317 3.5 43.8 1.0
CG1 A:ILE88 3.7 28.2 1.0
CA A:ASP87 3.8 26.7 1.0
NH2 A:ARG14 3.9 38.7 1.0
HH21 A:ARG14 3.9 46.5 1.0
OD1 A:ASP87 4.0 35.5 1.0
CE1 A:HIS15 4.1 34.4 1.0
HG13 A:ILE88 4.1 33.8 1.0
C A:ASP87 4.1 31.8 1.0
O A:SER86 4.1 38.8 1.0
HB1 A:ALA11 4.1 32.2 1.0
CB A:ALA11 4.2 26.9 1.0
CZ A:PHE3 4.2 30.9 1.0
CG A:ASP87 4.2 35.3 1.0
CG2 A:ILE88 4.3 29.1 1.0
CB A:ILE88 4.3 22.5 1.0
HE2 A:PHE3 4.4 37.9 1.0
HD12 A:ILE88 4.4 32.7 1.0
CA A:ILE88 4.4 22.5 1.0
CD1 A:ILE88 4.5 27.3 1.0
H A:THR89 4.5 34.2 1.0
CB A:ASP87 4.5 24.9 1.0
HD13 A:ILE88 4.6 32.7 1.0
HB2 A:ALA11 4.7 32.2 1.0
CE2 A:PHE3 4.7 31.7 1.0
ND1 A:HIS15 4.8 33.7 1.0
HB2 A:ASP87 4.8 29.9 1.0
OD2 A:ASP87 4.8 63.0 1.0
HG23 A:ILE88 4.8 34.9 1.0
N A:ASP87 4.8 29.7 1.0
C A:SER86 4.9 29.8 1.0
HZ3 A:LYS1 5.0 70.1 1.0
N A:THR89 5.0 28.6 1.0
HG21 A:ILE88 5.0 34.9 1.0

Chlorine binding site 4 out of 7 in 8owc

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Chlorine binding site 4 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:53.0
occ:1.00
HE2 A:PHE38 2.9 31.0 1.0
HZ2 A:LYS33 3.1 45.3 1.0
HZ3 A:TRP123 3.3 41.9 1.0
HD3 A:ARG5 3.5 41.1 1.0
HB2 A:ARG5 3.6 34.1 1.0
HD3 A:LYS33 3.6 36.8 1.0
CE2 A:PHE38 3.8 25.9 1.0
NZ A:LYS33 3.9 37.8 1.0
HE2 A:LYS33 3.9 40.9 1.0
HZ3 A:LYS33 4.1 45.3 1.0
HE A:ARG5 4.2 41.2 1.0
CZ3 A:TRP123 4.3 35.0 1.0
CE A:LYS33 4.3 34.1 1.0
CD A:ARG5 4.4 34.3 1.0
CD A:LYS33 4.4 30.7 1.0
HZ A:PHE38 4.4 27.4 1.0
CB A:ARG5 4.5 28.5 1.0
HD2 A:PHE38 4.5 31.1 1.0
HZ1 A:LYS33 4.6 45.3 1.0
CZ A:PHE38 4.6 22.9 1.0
CD2 A:PHE38 4.6 26.0 1.0
NE A:ARG5 4.7 34.4 1.0
HE3 A:TRP123 4.8 38.9 1.0
HB3 A:ARG5 4.8 34.1 1.0
O A:HOH402 4.9 44.5 1.0
CG A:ARG5 4.9 30.6 1.0
CE3 A:TRP123 5.0 32.5 1.0
HG3 A:ARG5 5.0 36.6 1.0

Chlorine binding site 5 out of 7 in 8owc

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Chlorine binding site 5 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:64.3
occ:0.50
H A:GLY71 2.0 46.3 1.0
N A:GLY71 2.9 38.6 1.0
HA A:PRO70 3.1 54.2 1.0
HA2 A:GLY71 3.3 47.3 1.0
O A:HOH411 3.4 38.1 1.0
CA A:GLY71 3.7 39.5 1.0
C A:PRO70 3.8 36.5 1.0
CA A:PRO70 3.9 45.2 1.0
H A:SER72 3.9 44.8 1.0
N A:SER72 4.4 37.4 1.0
HA3 A:GLY71 4.4 47.3 1.0
C A:GLY71 4.4 35.8 1.0
O A:THR69 4.5 26.4 1.0
HB3 A:PRO70 4.6 55.9 1.0
CB A:PRO70 4.7 46.6 1.0
HB2 A:PRO70 4.8 55.9 1.0
O A:SER72 4.9 42.0 1.0
N A:PRO70 5.0 38.1 1.0

Chlorine binding site 6 out of 7 in 8owc

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Chlorine binding site 6 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:34.5
occ:1.00
H A:THR69 2.3 31.7 1.0
O A:HOH369 3.0 24.1 1.0
O A:HOH411 3.1 38.1 1.0
N A:THR69 3.1 26.4 1.0
HA2 A:GLY67 3.2 24.2 1.0
H A:GLY67 3.2 27.5 1.0
O A:THR69 3.2 26.4 1.0
H A:ARG68 3.4 28.3 1.0
N A:ARG68 3.5 23.6 1.0
C A:GLY67 3.5 24.2 1.0
O A:HOH326 3.5 44.0 1.0
C A:THR69 3.6 32.4 1.0
CA A:GLY67 3.6 20.2 1.0
HB A:THR69 3.6 32.5 1.0
HG A:SER72 3.6 43.2 1.0
N A:GLY67 3.6 22.9 1.0
OD1 A:ASN65 3.6 30.8 1.0
OG A:SER72 3.7 36.1 1.0
CA A:THR69 3.8 28.7 1.0
O A:HOH394 4.0 30.9 1.0
C A:ARG68 4.1 24.8 1.0
CB A:THR69 4.1 27.2 1.0
O A:GLY67 4.2 27.2 1.0
H A:ASP66 4.2 26.5 1.0
OD1 A:ASP66 4.2 26.2 1.0
CA A:ARG68 4.2 23.5 1.0
HA A:PRO70 4.3 54.2 1.0
HA A:ARG68 4.3 28.2 1.0
N A:PRO70 4.3 38.1 1.0
HA3 A:GLY67 4.5 24.2 1.0
NA A:NA210 4.6 31.2 1.0
H A:SER72 4.6 44.8 1.0
OG1 A:THR69 4.7 25.3 1.0
C A:ASP66 4.7 22.5 1.0
HA A:THR69 4.7 34.4 1.0
CA A:PRO70 4.8 45.2 1.0
CG A:ASN65 4.8 31.5 1.0
HA A:ASN65 4.8 27.9 1.0
N A:ASP66 4.9 22.1 1.0

Chlorine binding site 7 out of 7 in 8owc

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Chlorine binding site 7 out of 7 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:29.8
occ:0.50
O A:HOH418 1.9 45.3 1.0
H A:ASN59 2.2 24.8 1.0
HA A:ILE58 2.7 28.7 1.0
HB2 A:ASN59 2.9 29.1 1.0
N A:ASN59 3.0 20.7 1.0
HD1 A:TRP63 3.0 27.1 1.0
HB3 A:ASN59 3.1 29.1 1.0
HD12 A:ILE98 3.4 27.6 1.0
CB A:ASN59 3.4 24.3 1.0
HE1 A:TRP63 3.5 26.7 1.0
CD1 A:TRP63 3.6 22.6 1.0
CA A:ILE58 3.6 23.9 1.0
HG21 A:ILE58 3.7 32.1 1.0
C A:ILE58 3.7 17.8 1.0
O A:GLN57 3.8 21.7 1.0
CA A:ASN59 3.8 23.5 1.0
NE1 A:TRP63 3.8 22.3 1.0
HD11 A:ILE98 3.8 27.6 1.0
CD1 A:ILE98 4.1 23.1 1.0
HG23 A:ILE98 4.1 26.8 1.0
O A:HOH381 4.1 40.0 1.0
HG12 A:ILE58 4.2 30.9 1.0
HA A:ASN59 4.5 28.1 1.0
CG2 A:ILE58 4.5 26.8 1.0
CB A:ILE58 4.5 22.6 1.0
O A:HOH341 4.5 36.2 1.0
N A:ILE58 4.5 21.7 1.0
C A:GLN57 4.6 19.9 1.0
HD22 A:ASN59 4.7 45.6 1.0
CG A:TRP63 4.7 20.7 1.0
O A:ASN59 4.7 29.1 1.0
HG12 A:ILE98 4.7 25.1 1.0
HD13 A:ILE98 4.7 27.6 1.0
C A:ASN59 4.8 26.5 1.0
CG A:ASN59 4.8 28.3 1.0
HE1 A:TRP108 4.8 29.0 1.0
CG1 A:ILE58 4.8 25.8 1.0
HG23 A:ILE58 4.9 32.1 1.0
O A:ILE58 4.9 19.9 1.0
CG2 A:ILE98 5.0 22.4 1.0
HB2 A:TRP63 5.0 24.8 1.0
CE2 A:TRP63 5.0 24.6 1.0
CG1 A:ILE98 5.0 20.9 1.0

Reference:

A.Roux, Z.Alsalman, T.Jiang, J.C.Mulatier, D.Pitrat, E.Dumont, F.Riobe, N.Gillet, E.Girard, O.Maury. Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry V. 30 00900 2024.
ISSN: ISSN 0947-6539
PubMed: 38738452
DOI: 10.1002/CHEM.202400900
Page generated: Tue Jul 30 11:19:06 2024

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