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Chlorine in PDB 9ghx: Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.

Enzymatic activity of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.

All present enzymatic activity of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.:
3.2.1.17;

Protein crystallography data

The structure of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature., PDB code: 9ghx was solved by F.J.F.Jacobs, A.Brink, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.44 / 2.19
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.493, 81.493, 37.413, 90, 90, 90
R / Rfree (%) 20.5 / 27.1

Other elements in 9ghx:

The structure of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. also contains other interesting chemical elements:

Sodium (Na) 1 atom
Rhenium (Re) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. (pdb code 9ghx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature., PDB code: 9ghx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9ghx

Go back to Chlorine Binding Sites List in 9ghx
Chlorine binding site 1 out of 4 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:34.0
occ:1.00
 HH A:TYR23 2.3 31.9 1.0
OH A:TYR23 2.9 26.6 1.0
HA3 A:GLY104 3.3 25.4 1.0
HE2 A:TYR23 3.4 26.1 1.0
CZ A:TYR23 3.6 24.8 1.0
CE2 A:TYR23 3.8 21.8 1.0
CA A:GLY104 4.1 21.1 1.0
HA2 A:GLY104 4.1 25.4 1.0
O A:ARG21 4.5 34.4 1.0
N A:GLY104 4.6 26.1 1.0
H A:MET105 4.8 30.9 1.0
CE1 A:TYR23 4.8 26.9 1.0
H A:GLY104 4.8 31.3 1.0
HB3 A:ARG21 5.0 56.9 1.0

Chlorine binding site 2 out of 4 in 9ghx

Go back to Chlorine Binding Sites List in 9ghx
Chlorine binding site 2 out of 4 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:50.4
occ:1.00
 H A:GLY26 2.2 30.4 1.0
HG A:SER24 2.5 37.7 1.0
HB2 A:SER24 2.6 41.9 1.0
OG A:SER24 3.0 31.4 1.0
N A:GLY26 3.1 25.3 1.0
HA A:GLN121 3.1 39.4 1.0
HA3 A:GLY26 3.2 36.1 1.0
CB A:SER24 3.2 34.9 1.0
H A:LEU25 3.5 36.7 1.0
NE2 A:GLN121 3.6 75.3 1.0
HG21 A:VAL120 3.6 42.8 1.0
CA A:GLY26 3.6 30.1 1.0
N A:LEU25 3.7 30.5 1.0
HE21 A:GLN121 3.7 90.3 1.0
HE22 A:GLN121 3.7 90.3 1.0
CD A:GLN121 3.7 68.8 1.0
HG12 A:ILE124 3.7 48.1 1.0
C A:SER24 3.9 31.3 1.0
CA A:GLN121 3.9 32.8 1.0
HB3 A:SER24 3.9 41.9 1.0
HG3 A:GLN121 4.0 59.7 1.0
HB2 A:GLN121 4.0 52.3 1.0
OE1 A:GLN121 4.1 68.9 1.0
C A:LEU25 4.1 30.3 1.0
HB3 A:LEU25 4.1 32.1 1.0
CA A:SER24 4.2 39.4 1.0
HD11 A:ILE124 4.2 56.5 1.0
HD13 A:ILE124 4.2 56.5 1.0
CG A:GLN121 4.2 49.7 1.0
H A:ASN27 4.2 35.5 1.0
CB A:GLN121 4.3 43.5 1.0
HA2 A:GLY26 4.3 36.1 1.0
N A:GLN121 4.3 36.9 1.0
HG23 A:VAL120 4.3 42.8 1.0
CA A:LEU25 4.4 24.3 1.0
CG2 A:VAL120 4.4 35.6 1.0
O A:SER24 4.5 16.5 1.0
CD1 A:ILE124 4.5 47.0 1.0
O A:VAL120 4.5 30.7 1.0
CG1 A:ILE124 4.6 40.0 1.0
C A:VAL120 4.6 28.8 1.0
H A:GLN121 4.6 44.3 1.0
HA A:SER24 4.7 47.3 1.0
C A:GLY26 4.7 32.9 1.0
CB A:LEU25 4.8 26.7 1.0
N A:ASN27 4.8 29.5 1.0
HG21 A:ILE124 4.8 49.4 1.0
HG23 A:ILE124 5.0 49.4 1.0

Chlorine binding site 3 out of 4 in 9ghx

Go back to Chlorine Binding Sites List in 9ghx
Chlorine binding site 3 out of 4 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:43.4
occ:1.00
 H A:THR69 2.5 26.9 1.0
O A:HOH315 2.9 25.0 1.0
HG A:SER72 3.1 38.7 1.0
O A:THR69 3.1 33.8 1.0
H A:ARG68 3.1 34.4 1.0
H A:GLY67 3.1 36.6 1.0
N A:THR69 3.3 22.4 1.0
O A:HOH305 3.3 43.5 1.0
HA2 A:GLY67 3.4 40.0 1.0
N A:ARG68 3.5 28.6 1.0
OD1 A:ASN65 3.5 40.0 1.0
OG A:SER72 3.5 32.2 1.0
C A:THR69 3.6 32.9 1.0
N A:GLY67 3.7 30.5 1.0
HB A:THR69 3.7 32.6 1.0
CA A:GLY67 3.7 33.3 1.0
C A:GLY67 3.8 36.4 1.0
CA A:THR69 3.9 30.9 1.0
H A:ASP66 4.2 33.4 1.0
HA A:PRO70 4.2 47.0 1.0
CB A:THR69 4.2 27.1 1.0
OD1 A:ASP66 4.3 27.5 1.0
C A:ARG68 4.3 31.8 1.0
CA A:ARG68 4.4 28.0 1.0
HG1 A:THR69 4.4 29.8 1.0
HA A:ASN65 4.5 39.6 1.0
N A:PRO70 4.5 36.1 1.0
NA A:NA208 4.6 36.4 1.0
O A:GLY67 4.6 33.5 1.0
CG A:ASN65 4.7 33.2 1.0
HA3 A:GLY67 4.7 40.0 1.0
H A:SER72 4.7 47.4 1.0
HA A:ARG68 4.7 33.6 1.0
C A:ASP66 4.8 29.2 1.0
N A:ASP66 4.8 27.8 1.0
OG1 A:THR69 4.8 24.8 1.0
CB A:SER72 4.8 36.5 1.0
HA A:THR69 4.8 37.2 1.0
HB3 A:SER72 4.8 43.9 1.0
CA A:PRO70 4.9 39.1 1.0

Chlorine binding site 4 out of 4 in 9ghx

Go back to Chlorine Binding Sites List in 9ghx
Chlorine binding site 4 out of 4 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 112 Weeks. Data Collection Done at Mammalian Body Temperature. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:70.5
occ:1.00
 HB1 A:ALA42 3.0 36.4 1.0
HB2 A:ALA42 3.6 36.4 1.0
CB A:ALA42 3.7 30.3 1.0
OD1 A:ASN44 3.9 53.4 1.0
HA A:ALA42 4.0 36.2 1.0
HD21 A:ASN44 4.3 56.1 1.0
H A:THR43 4.4 35.1 1.0
CA A:ALA42 4.4 30.1 1.0
HB3 A:ALA42 4.4 36.4 1.0
O A:THR43 4.6 32.8 1.0
CG A:ASN44 4.7 45.1 1.0
HA A:SER36 4.8 29.4 1.0
ND2 A:ASN44 4.8 46.8 1.0
N A:THR43 4.9 29.2 1.0

Reference:

F.J.F.Jacobs, J.R.Helliwell, A.Brink. Body Temperature Protein X-Ray Crystallography at 37C: A Rhenium Protein Complex Seeking A Physiological Condition Structure Chem.Commun.(Camb.) 2024.
ISSN: ESSN 1364-548X
DOI: 10.1039/D4CC04245J
Page generated: Thu Oct 31 18:12:29 2024

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