Chlorine in PDB 8piw: Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2

Enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2, PDB code: 8piw 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) 38.76 / 1.72
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.521, 77.521, 37.793, 90, 90, 90
R / Rfree (%) 17.2 / 19.6

Other elements in 8piw:

The structure of Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2 also contains other interesting chemical elements:

Terbium (Tb) 1 atom
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-NMET2 (pdb code 8piw). 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-NMET2, PDB code: 8piw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 1 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:31.1
occ:1.00
OH A:TYR23 2.9 21.8 1.0
HE2 A:TYR23 3.2 22.7 1.0
HH A:TYR23 3.4 26.2 1.0
HA3 A:GLY104 3.4 23.8 1.0
HH21 A:ARG21 3.4 39.4 0.5
O A:HOH368 3.5 26.0 1.0
CZ A:TYR23 3.6 21.3 1.0
CE2 A:TYR23 3.7 18.9 1.0
NH2 A:ARG21 3.7 32.8 0.5
HH22 A:ARG21 3.8 39.4 0.5
HA2 A:GLY104 4.1 23.8 1.0
CA A:GLY104 4.2 19.8 1.0
CZ A:ARG21 4.5 56.4 0.5
O A:ARG21 4.5 24.9 1.0
H A:MET105 4.7 26.4 1.0
HE A:ARG21 4.7 66.4 0.5
CE1 A:TYR23 4.8 19.2 1.0
HB3 A:ARG21 4.8 32.0 1.0
N A:GLY104 4.9 19.9 1.0
CD2 A:TYR23 4.9 19.6 1.0
NE A:ARG21 4.9 55.3 0.5

Chlorine binding site 2 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 2 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:30.4
occ:1.00
H A:GLY26 2.4 26.7 1.0
HG A:SER24 2.6 28.3 1.0
HA A:GLN121 2.8 37.1 1.0
HB2 A:SER24 2.9 31.4 1.0
HA3 A:GLY26 3.0 25.5 1.0
OG A:SER24 3.1 23.6 1.0
N A:GLY26 3.2 22.3 1.0
HB2 A:GLN121 3.4 38.1 1.0
CB A:SER24 3.5 26.1 1.0
HD11 A:ILE124 3.5 50.6 1.0
CA A:GLN121 3.6 30.9 1.0
CA A:GLY26 3.6 21.2 1.0
HD12 A:ILE124 3.6 50.6 1.0
HG23 A:VAL120 3.6 32.8 1.0
HG12 A:ILE124 3.7 38.4 1.0
CB A:GLN121 3.9 31.7 1.0
HG2 A:GLN121 3.9 37.0 1.0
CD1 A:ILE124 3.9 42.1 1.0
N A:GLN121 3.9 29.2 1.0
H A:LEU25 4.0 28.7 1.0
N A:LEU25 4.1 23.9 1.0
HB3 A:SER24 4.2 31.4 1.0
H A:ASN27 4.2 23.9 1.0
HA2 A:GLY26 4.2 25.5 1.0
HB3 A:LEU25 4.2 26.6 1.0
H A:GLN121 4.3 35.1 1.0
C A:VAL120 4.3 26.9 1.0
O A:VAL120 4.3 27.0 1.0
CG1 A:ILE124 4.3 32.0 1.0
C A:SER24 4.3 22.0 1.0
C A:LEU25 4.3 20.8 1.0
CG A:GLN121 4.3 30.8 1.0
CG2 A:VAL120 4.4 27.3 1.0
HG21 A:VAL120 4.4 32.8 1.0
HG3 A:GLN121 4.5 37.0 1.0
CA A:SER24 4.5 24.0 1.0
HG21 A:ILE124 4.6 37.7 1.0
C A:GLY26 4.6 19.2 1.0
N A:ASN27 4.7 19.9 1.0
CA A:LEU25 4.7 21.7 1.0
HB A:VAL120 4.7 27.4 1.0
HB3 A:GLN121 4.8 38.1 1.0
C A:GLN121 4.8 35.7 1.0
O A:SER24 4.8 23.5 1.0
HD13 A:ILE124 4.8 50.6 1.0
HG13 A:ILE124 4.9 38.4 1.0
CB A:LEU25 5.0 22.1 1.0
HG22 A:ILE124 5.0 37.7 1.0
HD22 A:ASN27 5.0 28.1 1.0

Chlorine binding site 3 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 3 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:31.6
occ:0.70
H A:ILE88 2.5 32.6 1.0
HA A:ASP87 2.8 27.9 1.0
HG12 A:ILE88 2.8 27.8 1.0
HH22 A:ARG14 2.9 73.7 0.5
N A:ILE88 3.3 27.1 1.0
HE1 A:HIS15 3.3 47.7 1.0
HZ A:PHE3 3.4 34.5 1.0
O A:HOH320 3.5 37.3 1.0
HG21 A:ILE88 3.5 29.9 1.0
HB3 A:ALA11 3.5 30.5 1.0
NH2 A:ARG14 3.6 61.4 0.5
HH21 A:ARG14 3.6 79.9 0.5
CA A:ASP87 3.7 23.3 1.0
HH21 A:ARG14 3.7 73.7 0.5
CG1 A:ILE88 3.8 23.2 1.0
HH22 A:ARG14 3.9 79.9 0.5
C A:ASP87 4.0 25.3 1.0
O A:SER86 4.0 37.6 1.0
NH2 A:ARG14 4.1 66.5 0.5
CE1 A:HIS15 4.1 39.7 1.0
OD1 A:ASP87 4.2 39.0 1.0
HG13 A:ILE88 4.2 27.8 1.0
HB1 A:ALA11 4.2 30.5 1.0
CG A:ASP87 4.2 39.4 1.0
CZ A:PHE3 4.3 28.8 1.0
CG2 A:ILE88 4.3 24.9 1.0
CB A:ALA11 4.3 25.4 1.0
CB A:ILE88 4.3 22.1 1.0
CA A:ILE88 4.3 21.3 1.0
HE2 A:PHE3 4.4 32.3 1.0
H A:THR89 4.4 30.7 1.0
CB A:ASP87 4.4 24.4 1.0
HD12 A:ILE88 4.4 34.1 1.0
HH12 A:ARG14 4.5 38.0 0.5
CD1 A:ILE88 4.6 28.4 1.0
HB2 A:ASP87 4.7 29.3 1.0
CZ A:ARG14 4.7 47.8 0.5
OD2 A:ASP87 4.7 68.8 1.0
HD13 A:ILE88 4.7 34.1 1.0
N A:ASP87 4.7 23.5 1.0
HG22 A:ILE88 4.7 29.9 1.0
HB2 A:ALA11 4.8 30.5 1.0
ND1 A:HIS15 4.8 37.5 1.0
CE2 A:PHE3 4.8 26.9 1.0
C A:SER86 4.8 32.2 1.0
HZ1 A:LYS1 4.9 65.9 1.0
N A:THR89 4.9 25.5 1.0
HG23 A:ILE88 4.9 29.9 1.0
NH1 A:ARG14 5.0 31.6 0.5

Chlorine binding site 4 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 4 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:30.6
occ:1.00
H A:THR69 2.4 26.6 1.0
O A:HOH373 3.1 22.5 1.0
HA2 A:GLY67 3.2 24.7 1.0
N A:THR69 3.2 22.1 1.0
O A:HOH397 3.3 38.2 1.0
H A:GLY67 3.3 26.2 1.0
O A:HOH412 3.3 37.3 1.0
HG A:SER72 3.3 33.3 1.0
O A:THR69 3.4 25.6 1.0
O A:HOH313 3.4 38.9 1.0
H A:ARG68 3.5 28.5 1.0
C A:GLY67 3.5 30.3 1.0
N A:ARG68 3.5 23.7 1.0
OD1 A:ASN65 3.6 25.7 1.0
CA A:GLY67 3.6 20.5 1.0
C A:THR69 3.6 26.5 1.0
HB A:THR69 3.6 26.8 1.0
N A:GLY67 3.7 21.9 1.0
OG A:SER72 3.8 27.8 1.0
CA A:THR69 3.9 22.6 1.0
O A:HOH384 4.0 27.0 1.0
O A:GLY67 4.1 27.8 1.0
H A:ASP66 4.2 26.0 1.0
C A:ARG68 4.2 23.6 1.0
CB A:THR69 4.2 22.3 1.0
OD1 A:ASP66 4.2 21.8 1.0
CA A:ARG68 4.3 28.1 1.0
HA A:PRO70 4.3 36.7 1.0
HA A:ARG68 4.4 33.7 1.0
N A:PRO70 4.4 32.7 1.0
HA3 A:GLY67 4.5 24.7 1.0
H A:SER72 4.7 41.5 1.0
NA A:NA209 4.7 25.7 1.0
C A:ASP66 4.8 19.5 1.0
HA A:THR69 4.8 27.1 1.0
CG A:ASN65 4.8 25.9 1.0
OG1 A:THR69 4.8 23.3 1.0
HA A:ASN65 4.8 25.1 1.0
N A:ASP66 4.9 21.6 1.0
CA A:PRO70 4.9 30.6 1.0
HD3 A:PRO70 5.0 52.4 1.0

Chlorine binding site 5 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 5 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:47.7
occ:0.70
H A:ASN74 2.1 30.6 1.0
HB3 A:ARG73 2.6 36.5 1.0
N A:ASN74 3.0 25.5 1.0
HD23 A:LEU75 3.0 50.0 1.0
HE A:ARG73 3.0 85.7 0.5
HD2 A:ARG73 3.3 58.6 0.5
HA A:ARG73 3.4 30.4 1.0
CB A:ARG73 3.5 30.4 1.0
C A:ASN74 3.7 19.9 1.0
HB3 A:ASN74 3.7 29.7 1.0
NE A:ARG73 3.7 71.4 0.5
CA A:ARG73 3.8 25.3 1.0
CA A:ASN74 3.8 22.9 1.0
O A:ASN74 3.8 25.6 1.0
CD A:ARG73 3.9 48.8 0.5
C A:ARG73 3.9 29.7 1.0
CD2 A:LEU75 3.9 41.6 1.0
HA A:LEU75 4.0 32.4 1.0
HD21 A:LEU75 4.0 50.0 1.0
N A:LEU75 4.1 26.6 1.0
HG A:LEU75 4.1 37.8 1.0
HB2 A:ARG73 4.1 36.5 1.0
CB A:ASN74 4.3 24.7 1.0
CG A:ARG73 4.3 34.9 1.0
H A:LEU75 4.5 31.9 1.0
CA A:LEU75 4.6 27.0 1.0
HD22 A:LEU75 4.6 50.0 1.0
CG A:LEU75 4.6 31.5 1.0
HA A:ASN74 4.7 27.5 1.0
HB2 A:ASN74 4.7 29.7 1.0
HD3 A:ARG73 4.7 58.6 0.5
HH21 A:ARG73 4.8 105.0 0.5
HG3 A:ARG73 4.8 41.9 1.0
O A:HOH376 4.9 38.8 1.0
CZ A:ARG73 4.9 120.4 0.5

Chlorine binding site 6 out of 6 in 8piw

Go back to Chlorine Binding Sites List in 8piw
Chlorine binding site 6 out of 6 in the Crystal Structure of Hen Egg White Lysozyme Co-Crystallized with 10 Mm TBXO4-NMET2


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-NMET2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:32.4
occ:0.50
HE2 A:PHE38 2.9 26.2 1.0
HZ3 A:LYS33 3.0 70.9 1.0
HZ3 A:TRP123 3.2 41.2 1.0
HD3 A:ARG5 3.3 37.3 1.0
HB2 A:ARG5 3.5 36.5 1.0
HD3 A:LYS33 3.5 31.4 1.0
HZ1 A:LYS33 3.7 70.9 1.0
NZ A:LYS33 3.7 59.1 1.0
CE2 A:PHE38 3.8 21.8 1.0
HE2 A:LYS33 3.9 59.8 1.0
CZ3 A:TRP123 4.1 34.3 1.0
CE A:LYS33 4.2 49.8 1.0
HE A:ARG5 4.2 44.1 1.0
CD A:ARG5 4.3 31.1 1.0
CD A:LYS33 4.3 26.1 1.0
HZ A:PHE38 4.3 25.4 1.0
CB A:ARG5 4.4 30.4 1.0
HZ2 A:LYS33 4.4 70.9 1.0
CZ A:PHE38 4.5 21.1 1.0
HD2 A:PHE38 4.6 33.0 1.0
O A:HOH407 4.6 32.2 1.0
HB3 A:ARG5 4.6 36.5 1.0
NE A:ARG5 4.6 36.8 1.0
CD2 A:PHE38 4.7 27.5 1.0
HE3 A:TRP123 4.7 31.6 1.0
HH2 A:TRP123 4.8 36.4 1.0
CG A:ARG5 4.8 27.7 1.0
HD2 A:ARG5 4.9 37.3 1.0
CE3 A:TRP123 4.9 26.3 1.0
HD2 A:LYS33 4.9 31.4 1.0
HG2 A:LYS33 4.9 30.4 1.0
CH2 A:TRP123 5.0 30.3 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 11:34:32 2024

Last articles

W in 8QLN
W in 8RJA
V in 8WTN
Te in 8QLN
Re in 9GHX
Rb in 8Z5C
Ni in 9C0T
Ni in 9C0S
Ni in 9GP1
Ni in 9FYO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy