Chlorine in PDB 8pob: Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3, PDB code: 8pob 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) 38.70 / 1.74
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.404, 77.404, 37.602, 90, 90, 90
R / Rfree (%) 18 / 22.8

Other elements in 8pob:

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3 also contains other interesting chemical elements:

Terbium (Tb) 2 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 with 10 Mm TBXO4-SO3 (pdb code 8pob). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3, PDB code: 8pob:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8pob

Go back to Chlorine Binding Sites List in 8pob
Chlorine binding site 1 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:34.6
occ:1.00
H A:THR69 2.4 31.7 1.0
HG A:SER72 3.0 45.2 1.0
O A:HOH349 3.1 26.2 1.0
O A:HOH397 3.1 40.6 1.0
O A:HOH389 3.1 35.9 1.0
HA2 A:GLY67 3.2 30.4 1.0
H A:GLY67 3.2 36.3 1.0
N A:THR69 3.2 26.6 1.0
O A:THR69 3.3 30.5 1.0
O A:HOH318 3.4 40.3 1.0
C A:GLY67 3.5 44.5 1.0
OD1 A:ASN65 3.5 30.6 1.0
H A:ARG68 3.6 34.2 1.0
N A:ARG68 3.6 28.7 1.0
CA A:GLY67 3.6 25.4 1.0
OG A:SER72 3.6 37.8 1.0
HB A:THR69 3.6 29.5 1.0
C A:THR69 3.7 28.7 1.0
N A:GLY67 3.7 30.4 1.0
CA A:THR69 3.9 28.6 1.0
O A:HOH360 4.0 29.8 1.0
O A:GLY67 4.1 33.5 1.0
H A:ASP66 4.2 34.6 1.0
OD1 A:ASP66 4.2 25.7 1.0
CB A:THR69 4.2 24.7 1.0
C A:ARG68 4.2 26.9 1.0
CA A:ARG68 4.3 35.6 1.0
HA A:PRO70 4.4 44.1 1.0
HA A:ARG68 4.4 42.6 1.0
N A:PRO70 4.5 34.2 1.0
HA3 A:GLY67 4.5 30.4 1.0
H A:SER72 4.6 41.8 1.0
NA A:NA210 4.6 28.0 1.0
O A:HOH409 4.6 36.0 1.0
CG A:ASN65 4.7 27.2 1.0
C A:ASP66 4.8 25.7 1.0
HA A:THR69 4.8 34.2 1.0
N A:ASP66 4.8 29.0 1.0
OG1 A:THR69 4.9 25.8 1.0
CB A:SER72 4.9 41.0 1.0
CA A:PRO70 4.9 36.9 1.0
HA A:ASN65 4.9 30.2 1.0
CL A:CL208 5.0 50.5 0.5

Chlorine binding site 2 out of 6 in 8pob

Go back to Chlorine Binding Sites List in 8pob
Chlorine binding site 2 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:41.5
occ:1.00
OH A:TYR23 2.8 29.0 1.0
HH A:TYR23 3.2 34.7 1.0
HE2 A:TYR23 3.3 35.6 1.0
HA3 A:GLY104 3.5 29.6 1.0
CZ A:TYR23 3.6 28.9 1.0
O A:HOH352 3.6 39.3 1.0
CE2 A:TYR23 3.7 29.8 1.0
HA2 A:GLY104 4.3 29.6 1.0
CA A:GLY104 4.3 24.8 1.0
O A:ARG21 4.6 34.2 1.0
H A:MET105 4.7 32.1 1.0
CE1 A:TYR23 4.7 31.8 1.0
O A:HOH407 4.7 47.9 1.0
CD2 A:TYR23 4.9 30.2 1.0
HE1 A:TYR23 5.0 38.0 1.0

Chlorine binding site 3 out of 6 in 8pob

Go back to Chlorine Binding Sites List in 8pob
Chlorine binding site 3 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:39.2
occ:1.00
H A:GLY26 2.4 33.0 1.0
HG A:SER24 2.6 38.4 1.0
HA A:GLN121 2.7 46.9 1.0
HB2 A:SER24 2.9 39.7 1.0
HA3 A:GLY26 2.9 31.7 1.0
OG A:SER24 2.9 32.1 1.0
N A:GLY26 3.1 27.7 1.0
HD13 A:ILE124 3.3 54.6 1.0
HD11 A:ILE124 3.4 54.6 1.0
CB A:SER24 3.4 33.2 1.0
HG22 A:VAL120 3.5 34.8 1.0
CA A:GLY26 3.5 26.5 1.0
CA A:GLN121 3.6 39.2 1.0
HB2 A:GLN121 3.7 50.5 1.0
HG2 A:GLN121 3.7 76.0 1.0
CD1 A:ILE124 3.8 45.7 1.0
HG12 A:ILE124 3.8 53.4 1.0
CB A:GLN121 4.0 42.2 1.0
N A:GLN121 4.0 37.2 1.0
HB3 A:SER24 4.0 39.7 1.0
H A:LEU25 4.0 29.7 1.0
N A:LEU25 4.1 24.9 1.0
H A:ASN27 4.1 32.7 1.0
HG21 A:VAL120 4.2 34.8 1.0
HA2 A:GLY26 4.2 31.7 1.0
O A:VAL120 4.2 30.3 1.0
C A:SER24 4.2 31.4 1.0
CG2 A:VAL120 4.3 29.2 1.0
CG A:GLN121 4.3 63.5 1.0
C A:VAL120 4.3 32.1 1.0
C A:LEU25 4.3 29.4 1.0
CG1 A:ILE124 4.3 44.6 1.0
HB3 A:LEU25 4.4 31.5 1.0
H A:GLN121 4.4 44.5 1.0
CA A:SER24 4.5 32.8 1.0
C A:GLY26 4.5 24.8 1.0
N A:ASN27 4.6 27.4 1.0
HD12 A:ILE124 4.6 54.6 1.0
HG3 A:GLN121 4.6 76.0 1.0
O A:SER24 4.7 29.9 1.0
HG22 A:ILE124 4.7 43.4 1.0
CA A:LEU25 4.7 24.7 1.0
C A:GLN121 4.7 33.6 1.0
HB A:VAL120 4.8 39.0 1.0
HD22 A:ASN27 4.9 37.7 1.0
HG13 A:ILE124 4.9 53.4 1.0
O A:GLN121 4.9 37.6 1.0
HB3 A:GLN121 5.0 50.5 1.0
HG23 A:VAL120 5.0 34.8 1.0

Chlorine binding site 4 out of 6 in 8pob

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Chlorine binding site 4 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:36.5
occ:0.70
H A:ILE88 2.5 32.8 1.0
HG12 A:ILE88 2.8 35.8 1.0
HH22 A:ARG14 2.9 61.6 0.6
HA A:ASP87 2.9 44.4 1.0
HE1 A:HIS15 3.1 52.3 1.0
N A:ILE88 3.3 27.4 1.0
HH21 A:ARG14 3.4 61.1 0.4
O A:HOH356 3.4 48.4 1.0
HZ A:PHE3 3.4 39.1 1.0
HG22 A:ILE88 3.5 40.6 1.0
HH22 A:ARG14 3.5 61.1 0.4
HB1 A:ALA11 3.5 42.7 1.0
OD1 A:ASP87 3.5 76.2 1.0
NH2 A:ARG14 3.6 51.4 0.6
CG1 A:ILE88 3.7 29.9 1.0
NH2 A:ARG14 3.8 51.1 0.4
CA A:ASP87 3.8 37.2 1.0
HH21 A:ARG14 3.9 61.6 0.6
CE1 A:HIS15 3.9 43.7 1.0
C A:ASP87 4.1 32.5 1.0
O A:SER86 4.2 37.8 1.0
HH12 A:ARG14 4.2 68.3 0.6
CG A:ASP87 4.2 48.0 1.0
HG13 A:ILE88 4.2 35.8 1.0
CG2 A:ILE88 4.3 34.0 1.0
HB2 A:ALA11 4.3 42.7 1.0
CB A:ILE88 4.3 31.5 1.0
CZ A:PHE3 4.3 32.7 1.0
HD13 A:ILE88 4.3 39.1 1.0
CB A:ALA11 4.3 35.7 1.0
CA A:ILE88 4.4 31.2 1.0
CD1 A:ILE88 4.5 32.8 1.0
CB A:ASP87 4.5 32.5 1.0
HD11 A:ILE88 4.5 39.1 1.0
HE2 A:PHE3 4.5 34.7 1.0
H A:THR89 4.6 32.8 1.0
CZ A:ARG14 4.6 59.7 0.6
HB2 A:ASP87 4.6 38.8 1.0
NH1 A:ARG14 4.7 57.0 0.6
ND1 A:HIS15 4.7 45.9 1.0
HZ3 A:LYS1 4.8 64.3 1.0
HG23 A:ILE88 4.8 40.6 1.0
N A:ASP87 4.8 36.0 1.0
HB3 A:ALA11 4.9 42.7 1.0
NE2 A:HIS15 4.9 50.1 1.0
CE2 A:PHE3 4.9 29.0 1.0
HG21 A:ILE88 4.9 40.6 1.0
C A:SER86 4.9 37.7 1.0

Chlorine binding site 5 out of 6 in 8pob

Go back to Chlorine Binding Sites List in 8pob
Chlorine binding site 5 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:50.5
occ:0.50
H A:GLY71 2.0 40.0 1.0
N A:GLY71 2.9 33.4 1.0
O A:HOH389 2.9 35.9 1.0
HA A:PRO70 3.1 44.1 1.0
HA2 A:GLY71 3.4 38.5 1.0
O A:HOH397 3.5 40.6 1.0
CA A:GLY71 3.7 32.2 1.0
C A:PRO70 3.8 32.4 1.0
H A:SER72 3.8 41.8 1.0
CA A:PRO70 3.8 36.9 1.0
O A:HOH409 4.2 36.0 1.0
N A:SER72 4.3 35.0 1.0
C A:GLY71 4.4 39.2 1.0
HB3 A:PRO70 4.4 51.1 1.0
HA3 A:GLY71 4.5 38.5 1.0
O A:THR69 4.5 30.5 1.0
CB A:PRO70 4.7 42.8 1.0
O A:SER72 4.9 35.9 1.0
N A:PRO70 4.9 34.2 1.0
O A:PRO70 4.9 42.4 1.0
CL A:CL204 5.0 34.6 1.0

Chlorine binding site 6 out of 6 in 8pob

Go back to Chlorine Binding Sites List in 8pob
Chlorine binding site 6 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-SO3


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-SO3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:31.8
occ:0.50
H A:ASN59 2.4 29.7 1.0
HA A:ILE58 2.7 27.8 1.0
HD13 A:ILE98 3.0 30.1 1.0
N A:ASN59 3.0 24.9 1.0
HB2 A:ASN59 3.0 39.2 1.0
HD1 A:TRP63 3.1 29.2 1.0
HB3 A:ASN59 3.1 39.2 1.0
CB A:ASN59 3.4 32.8 1.0
CD1 A:TRP63 3.6 24.5 1.0
CA A:ILE58 3.6 23.3 1.0
HG23 A:ILE58 3.6 34.8 1.0
HE1 A:TRP63 3.6 31.8 1.0
C A:ILE58 3.8 25.3 1.0
CA A:ASN59 3.8 23.6 1.0
O A:GLN57 3.8 24.8 1.0
NE1 A:TRP63 3.9 26.7 1.0
CD1 A:ILE98 3.9 25.2 1.0
HD12 A:ILE98 4.1 30.1 1.0
HG21 A:ILE98 4.1 30.6 1.0
HG12 A:ILE58 4.2 37.0 1.0
O A:HOH361 4.2 42.1 1.0
HD11 A:ILE98 4.4 30.1 1.0
CG2 A:ILE58 4.5 29.1 1.0
CB A:ILE58 4.5 29.7 1.0
HA A:ASN59 4.5 28.1 1.0
N A:ILE58 4.5 24.9 1.0
C A:GLN57 4.6 25.1 1.0
CG A:TRP63 4.6 24.7 1.0
HG12 A:ILE98 4.6 30.8 1.0
O A:ASN59 4.7 33.4 1.0
HD22 A:ASN59 4.8 65.3 1.0
HG23 A:ILE98 4.8 30.6 1.0
HE1 A:TRP108 4.8 31.5 1.0
C A:ASN59 4.8 27.2 1.0
CG1 A:ILE58 4.8 31.0 1.0
CG A:ASN59 4.9 36.2 1.0
CG2 A:ILE98 4.9 25.6 1.0
CG1 A:ILE98 4.9 25.8 1.0
HG22 A:ILE58 4.9 34.8 1.0
HB1 A:ALA107 4.9 45.5 1.0
HB2 A:TRP63 4.9 30.4 1.0
O A:ILE58 4.9 26.3 1.0
NE1 A:TRP108 5.0 26.4 1.0
CE2 A:TRP63 5.0 27.9 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 00900 2024.
ISSN: ISSN 0947-6539
PubMed: 38738452
DOI: 10.1002/CHEM.202400900
Page generated: Tue Jul 30 11:38:00 2024

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