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Rhenium 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
Chlorine (Cl) 4 atoms

Rhenium Binding Sites:

The binding sites of Rhenium 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 Rhenium atom.
In total 5 binding sites of Rhenium 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 Rhenium binding site number: 1; 2; 3; 4; 5;

Rhenium binding site 1 out of 5 in 9ghx

Go back to Rhenium Binding Sites List in 9ghx
Rhenium binding site 1 out of 5 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 Rhenium with other atoms in the Re 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:Re204

b:47.1
occ:0.53
 RE A:VHL204 0.0 47.1 0.5
C1 A:VHL204 1.9 55.3 0.5
C3 A:VHL204 1.9 37.2 0.5
C2 A:VHL204 1.9 40.0 0.5
N3 A:VHL204 2.2 48.0 0.5
N1 A:VHL204 2.2 46.6 0.5
OD2 A:ASP119 3.0 58.9 1.0
O3 A:VHL204 3.0 32.9 0.5
O2 A:VHL204 3.0 38.7 0.5
O1 A:VHL204 3.0 46.4 0.5
C7 A:VHL204 3.1 50.6 0.5
C4 A:VHL204 3.1 47.6 0.5
C9 A:VHL204 3.2 46.9 0.5
OD1 A:ASP119 3.3 43.8 1.0
H41 A:VHL204 3.3 57.2 0.5
H71 A:VHL204 3.3 60.8 0.5
C6 A:VHL204 3.3 49.1 0.5
CG A:ASP119 3.3 58.8 1.0
H91 A:VHL204 3.4 56.3 0.5
H61 A:VHL204 3.5 59.0 0.5
HB3 A:GLN121 4.1 52.3 1.0
N4 A:VHL204 4.3 56.1 0.5
N2 A:VHL204 4.3 54.3 0.5
C8 A:VHL204 4.3 50.3 0.5
C5 A:VHL204 4.4 52.0 0.5
HB2 A:ASP119 4.5 69.0 1.0
CB A:ASP119 4.6 57.4 1.0
HB2 A:ALA122 4.7 54.0 1.0
H A:ALA122 4.7 35.8 1.0
HB3 A:ASP119 5.0 69.0 1.0

Rhenium binding site 2 out of 5 in 9ghx

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Rhenium binding site 2 out of 5 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 Rhenium with other atoms in the Re 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:Re205

b:77.5
occ:0.55
 RE A:VHL205 0.0 77.5 0.6
C1 A:VHL205 1.9 66.8 0.6
C3 A:VHL205 1.9 59.5 0.6
C2 A:VHL205 1.9 67.4 0.6
N3 A:VHL205 2.2 58.0 0.6
N1 A:VHL205 2.2 50.0 0.6
OD2 A:ASP101 2.4 71.6 1.0
CG A:ASP101 3.0 64.0 1.0
O3 A:VHL205 3.0 50.4 0.6
O1 A:VHL205 3.0 58.0 0.6
O2 A:VHL205 3.0 62.9 0.6
OD1 A:ASP101 3.1 70.9 1.0
C6 A:VHL205 3.1 46.7 0.6
C9 A:VHL205 3.1 60.7 0.6
C7 A:VHL205 3.2 59.4 0.6
H61 A:VHL205 3.2 56.1 0.6
C4 A:VHL205 3.2 47.2 0.6
H91 A:VHL205 3.3 72.9 0.6
H71 A:VHL205 3.4 71.4 0.6
H41 A:VHL205 3.5 56.7 0.6
HD11 A:LEU75 4.0 53.4 1.0
N4 A:VHL205 4.3 69.1 0.6
C5 A:VHL205 4.3 46.7 0.6
C8 A:VHL205 4.3 68.0 0.6
N2 A:VHL205 4.3 44.9 0.6
CB A:ASP101 4.5 48.0 1.0
HH2 A:TRP63 4.5 42.6 1.0
HB3 A:ASP101 4.7 57.7 1.0
HB2 A:ASP101 4.9 57.7 1.0
CD1 A:LEU75 4.9 44.5 1.0
O A:ASP101 5.0 53.9 1.0

Rhenium binding site 3 out of 5 in 9ghx

Go back to Rhenium Binding Sites List in 9ghx
Rhenium binding site 3 out of 5 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 Rhenium with other atoms in the Re 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:Re206

b:59.8
occ:0.94
 RE A:REI206 0.0 59.8 0.9
C1 A:REI206 1.9 59.5 0.9
C3 A:REI206 1.9 47.9 0.9
C2 A:REI206 1.9 55.7 0.9
N1 A:REI206 2.2 58.9 0.9
OW A:REI206 2.2 68.3 0.9
NE2 A:HIS15 2.6 36.3 1.0
O3 A:REI206 3.0 47.1 0.9
O2 A:REI206 3.0 56.4 0.9
O1 A:REI206 3.0 56.5 0.9
C5 A:REI206 3.1 64.0 0.9
C6 A:REI206 3.2 53.3 0.9
H5 A:REI206 3.3 76.9 0.9
H6 A:REI206 3.3 64.0 0.9
CD2 A:HIS15 3.4 34.5 1.0
HD2 A:HIS15 3.4 41.5 1.0
CE1 A:HIS15 3.7 45.7 1.0
OD1 A:ASP87 3.8 44.6 1.0
HE1 A:HIS15 3.9 54.9 1.0
N2 A:REI206 4.3 65.0 0.9
C7 A:REI206 4.3 58.0 0.9
HG1 A:THR89 4.4 45.2 1.0
OG1 A:THR89 4.5 37.6 1.0
CG A:HIS15 4.6 42.8 1.0
HG12 A:ILE88 4.6 38.5 1.0
ND1 A:HIS15 4.7 38.5 1.0
HB1 A:ALA11 4.8 42.1 1.0
HB2 A:ARG14 4.9 52.1 1.0
HG13 A:ILE88 4.9 38.5 1.0
H A:ILE88 4.9 45.7 1.0

Rhenium binding site 4 out of 5 in 9ghx

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Rhenium binding site 4 out of 5 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 Rhenium with other atoms in the Re 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:Re209

b:56.2
occ:0.15
 HD3 A:ARG14 3.1 78.2 1.0
O A:HOH327 3.4 49.1 1.0
O2 A:REI206 3.8 56.4 0.9
CD A:ARG14 4.0 65.2 1.0
HE A:ARG14 4.2 81.9 1.0
HD2 A:ARG14 4.3 78.2 1.0
O1 A:REI206 4.4 56.5 0.9
C2 A:REI206 4.4 55.7 0.9
NE A:ARG14 4.5 68.2 1.0
C1 A:REI206 4.7 59.5 0.9
HG3 A:ARG14 4.8 60.3 1.0

Rhenium binding site 5 out of 5 in 9ghx

Go back to Rhenium Binding Sites List in 9ghx
Rhenium binding site 5 out of 5 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 Rhenium with other atoms in the Re binding site number 5 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:Re210

b:46.5
occ:0.15
 HZ3 A:LYS13 3.3 78.0 1.0
OXT A:LEU129 3.6 71.9 1.0
HG2 A:ARG14 3.8 60.3 1.0
HH11 A:ARG14 3.9 60.8 1.0
HZ2 A:LYS13 3.9 78.0 1.0
NZ A:LYS13 4.0 65.0 1.0
HG2 A:LYS13 4.1 49.1 1.0
HD2 A:ARG14 4.4 78.2 1.0
HZ1 A:LYS13 4.4 78.0 1.0
NH1 A:ARG14 4.6 50.7 1.0
HD3 A:LYS13 4.6 64.5 1.0
CG A:ARG14 4.7 50.2 1.0
HA A:ARG14 4.7 52.4 1.0
HH12 A:ARG14 4.8 60.8 1.0
HB3 A:LYS13 4.8 50.1 1.0
C A:LEU129 4.9 71.8 1.0
CG A:LYS13 4.9 40.9 1.0
HG3 A:ARG14 5.0 60.3 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 23:15:49 2024

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