Atomistry » Rhenium » PDB 1b0q-9ghx » 8qcu
Atomistry »
  Rhenium »
    PDB 1b0q-9ghx »
      8qcu »

Rhenium in PDB 8qcu: Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.

Enzymatic activity of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.

All present enzymatic activity of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.:
3.2.1.17;

Protein crystallography data

The structure of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks., PDB code: 8qcu 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) 36.28 / 1.15
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.12, 81.12, 37.19, 90, 90, 90
R / Rfree (%) 15.9 / 17.8

Other elements in 8qcu:

The structure of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. also contains other interesting chemical elements:

Sodium (Na) 1 atom
Bromine (Br) 1 atom
Chlorine (Cl) 5 atoms

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. (pdb code 8qcu). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 9 binding sites of Rhenium where determined in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks., PDB code: 8qcu:
Jump to Rhenium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Rhenium binding site 1 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 1 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


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 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re206

b:23.5
occ:0.43
 RE A:VHL206 0.0 23.5 0.4
C1 A:VHL206 1.9 22.8 0.4
C3 A:VHL206 1.9 25.6 0.4
C2 A:VHL206 1.9 24.6 0.4
N3 A:VHL206 2.2 22.8 0.4
N1 A:VHL206 2.2 23.4 0.4
OD2 A:ASP101 2.2 27.9 0.8
OD2 A:ASP101 2.2 24.8 0.2
CG A:ASP101 2.9 29.4 0.8
O3 A:VHL206 3.0 26.3 0.4
O1 A:VHL206 3.1 23.9 0.4
O2 A:VHL206 3.1 26.2 0.4
OD1 A:ASP101 3.1 32.8 0.8
C4 A:VHL206 3.1 22.0 0.4
C7 A:VHL206 3.1 24.6 0.4
C9 A:VHL206 3.2 24.9 0.4
C6 A:VHL206 3.2 22.5 0.4
H41 A:VHL206 3.3 26.4 0.4
H71 A:VHL206 3.3 29.5 0.4
H91 A:VHL206 3.4 29.9 0.4
CG A:ASP101 3.4 26.6 0.2
H61 A:VHL206 3.4 27.0 0.4
OD1 A:ASP101 4.0 27.9 0.2
HD12 A:LEU75 4.0 30.8 1.0
HH2 A:TRP63 4.0 24.2 1.0
HD13 A:LEU75 4.1 30.8 1.0
N4 A:VHL206 4.3 26.0 0.4
N2 A:VHL206 4.3 21.1 0.4
C8 A:VHL206 4.3 25.9 0.4
C5 A:VHL206 4.3 21.9 0.4
CB A:ASP101 4.4 27.2 0.8
HB2 A:ASP101 4.4 30.9 0.2
CD1 A:LEU75 4.5 25.7 1.0
CB A:ASP101 4.5 25.7 0.2
HB3 A:ASP101 4.5 32.7 0.8
HB2 A:ASP101 4.7 32.7 0.8
CH2 A:TRP63 4.7 20.1 1.0
HD11 A:LEU75 5.0 30.8 1.0

Rhenium binding site 2 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 2 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


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 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re207

b:34.0
occ:0.84
 RE A:REI207 0.0 34.0 0.8
C1 A:REI207 1.9 36.2 0.8
C3 A:REI207 1.9 31.3 0.8
C2 A:REI207 1.9 31.9 0.8
N1 A:REI207 2.2 36.3 0.8
OW A:REI207 2.2 34.6 0.8
NE2 A:HIS15 2.2 31.4 1.0
O3 A:REI207 3.0 32.6 0.8
O2 A:REI207 3.0 33.4 0.8
O1 A:REI207 3.0 37.2 0.8
CE1 A:HIS15 3.1 31.0 1.0
C5 A:REI207 3.2 37.9 0.8
C6 A:REI207 3.2 37.6 0.8
CD2 A:HIS15 3.2 30.1 1.0
HE1 A:HIS15 3.2 37.2 1.0
H5 A:REI207 3.3 45.5 0.8
H6 A:REI207 3.4 45.1 0.8
HD2 A:HIS15 3.4 36.1 1.0
OD2 A:ASP87 3.8 31.7 1.0
ND1 A:HIS15 4.2 30.1 1.0
HD3 A:ARG14 4.2 58.1 1.0
N2 A:REI207 4.3 38.9 0.8
CG A:HIS15 4.3 28.4 1.0
C7 A:REI207 4.3 38.1 0.8
HG1 A:THR89 4.4 33.5 1.0
HG12 A:ILE88 4.4 28.5 1.0
HG2 A:ARG14 4.6 51.0 1.0
H A:ILE88 4.6 29.3 1.0
HB3 A:ARG14 4.7 42.1 1.0
CG A:ASP87 4.7 31.7 1.0
HB1 A:ALA11 4.8 27.6 1.0
OG1 A:THR89 4.8 27.9 1.0
HG13 A:ILE88 4.9 28.5 1.0
HD1 A:HIS15 4.9 36.1 1.0
OD1 A:ASP87 5.0 35.0 1.0

Rhenium binding site 3 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 3 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


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 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re208

b:21.4
occ:0.53
 RE A:VHL208 0.0 21.4 0.5
C1 A:VHL208 1.9 22.5 0.5
C3 A:VHL208 1.9 21.0 0.5
C2 A:VHL208 1.9 21.4 0.5
N3 A:VHL208 2.2 21.9 0.5
N1 A:VHL208 2.2 23.0 0.5
OD2 A:ASP119 2.3 25.9 1.0
O3 A:VHL208 3.0 22.4 0.5
O1 A:VHL208 3.0 23.9 0.5
O2 A:VHL208 3.1 23.8 0.5
CG A:ASP119 3.1 24.3 1.0
C7 A:VHL208 3.2 23.2 0.5
C4 A:VHL208 3.2 24.5 0.5
C9 A:VHL208 3.2 23.8 0.5
C6 A:VHL208 3.2 24.7 0.5
H41 A:VHL208 3.3 29.4 0.5
H71 A:VHL208 3.3 27.9 0.5
OD1 A:ASP119 3.4 25.5 1.0
H61 A:VHL208 3.4 29.6 0.5
H91 A:VHL208 3.4 28.6 0.5
HB3 A:GLN121 4.0 35.9 1.0
O A:HOH306 4.0 33.5 1.0
N2 A:VHL208 4.3 25.4 0.5
N4 A:VHL208 4.3 24.4 0.5
C5 A:VHL208 4.3 25.0 0.5
C8 A:VHL208 4.3 23.9 0.5
CB A:ASP119 4.5 21.2 1.0
HG2 A:GLN121 4.6 45.5 1.0
HB2 A:ASP119 4.7 25.4 1.0
HB2 A:ALA122 4.8 26.2 1.0
HB3 A:ASP119 4.8 25.4 1.0
CB A:GLN121 4.9 29.9 1.0
H A:ALA122 4.9 23.4 1.0

Rhenium binding site 4 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 4 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


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 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re210

b:32.4
occ:0.17
 OD2 A:ASP18 2.1 29.6 1.0
HZ1 A:LYS13 2.8 50.6 1.0
HZ3 A:LYS13 2.8 50.6 1.0
CG A:ASP18 3.1 27.1 1.0
NZ A:LYS13 3.3 42.2 1.0
OD1 A:ASP18 3.4 27.0 1.0
HZ2 A:LYS13 3.9 50.6 1.0
HB2 A:LEU25 4.2 21.7 1.0
HE2 A:LYS13 4.4 46.2 1.0
CB A:ASP18 4.4 24.4 1.0
CE A:LYS13 4.4 38.5 1.0
HD22 A:LEU25 4.4 22.9 1.0
HB2 A:ASP18 4.5 29.4 1.0
HB3 A:LEU25 4.6 21.7 1.0
HD12 A:ILE124 4.6 31.3 1.0
HD2 A:LYS13 4.6 40.4 1.0
HB3 A:ASP18 4.7 29.4 1.0
H A:LEU25 4.7 20.6 1.0
HD13 A:ILE124 4.7 31.3 1.0
HD11 A:ILE124 4.8 31.3 1.0
HD23 A:LEU25 4.8 22.9 1.0
CB A:LEU25 4.9 18.1 1.0
OD1 A:ASN19 4.9 26.5 0.5
CD1 A:ILE124 4.9 26.1 1.0
HG3 A:LYS13 5.0 34.6 1.0

Rhenium binding site 5 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 5 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


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 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re211

b:34.2
occ:0.21
 OXT A:LEU129 3.8 41.2 1.0
HD3 A:LYS13 3.9 40.4 1.0
HE3 A:LYS13 4.5 46.2 1.0
HG2 A:LYS13 4.6 34.6 1.0
C A:LEU129 4.7 40.1 1.0
HB3 A:LYS13 4.8 29.6 1.0
CD A:LYS13 4.8 33.7 1.0
HA A:LEU129 5.0 44.2 1.0

Rhenium binding site 6 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 6 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 6 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re212

b:20.6
occ:0.10
 BR A:BR217 3.3 24.6 0.2
HD2 A:ARG14 3.5 58.1 1.0
O2 A:REI207 4.0 33.4 0.8
HD3 A:ARG14 4.0 58.1 1.0
HE A:ARG14 4.1 62.6 1.0
CD A:ARG14 4.2 48.4 1.0
C2 A:REI207 4.6 31.9 0.8
NE A:ARG14 4.6 52.2 1.0
O1 A:REI207 4.9 37.2 0.8

Rhenium binding site 7 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 7 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 7 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re213

b:20.8
occ:0.23
 HH A:TYR23 2.4 19.8 1.0
OH A:TYR23 3.1 16.5 1.0
HE2 A:TYR23 3.2 18.4 1.0
O A:HOH336 3.3 22.9 1.0
HA3 A:GLY104 3.3 18.3 1.0
CE2 A:TYR23 3.7 15.4 1.0
CZ A:TYR23 3.7 15.6 1.0
HA2 A:GLY104 4.0 18.3 1.0
CA A:GLY104 4.1 15.2 1.0
O A:ARG21 4.5 20.1 1.0
N A:GLY104 4.7 16.6 1.0
HE A:ARG21 4.7 50.8 1.0
HH21 A:ARG21 4.7 56.7 1.0
H A:MET105 4.8 17.2 1.0
H A:GLY104 4.8 19.9 1.0
CD2 A:TYR23 4.9 15.0 1.0
HB3 A:ARG21 4.9 29.6 1.0
CE1 A:TYR23 5.0 15.1 1.0

Rhenium binding site 8 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 8 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 8 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re214

b:101.9
occ:0.26
 HN1 A:IMD209 2.0 121.4 1.0
H21 A:VHL208 2.0 30.4 0.5
O A:HOH383 2.5 26.8 1.0
N2 A:VHL208 2.8 25.4 0.5
N1 A:IMD209 2.8 101.2 1.0
H41 A:VHL208 3.1 29.4 0.5
H2 A:IMD209 3.2 55.3 1.0
C4 A:VHL208 3.3 24.5 0.5
C2 A:IMD209 3.4 46.0 1.0
C5 A:IMD209 4.0 72.7 1.0
C5 A:VHL208 4.0 25.0 0.5
HA A:ASP119 4.3 23.7 1.0
H5 A:IMD209 4.3 87.2 1.0
H51 A:VHL208 4.4 30.0 0.5
N1 A:VHL208 4.6 23.0 0.5
N3 A:IMD209 4.6 74.0 1.0
HB2 A:GLN121 4.7 35.9 1.0
OD1 A:ASP119 4.9 25.5 1.0
H A:GLN121 4.9 24.9 1.0
C6 A:VHL208 4.9 24.7 0.5
C4 A:IMD209 4.9 56.4 1.0

Rhenium binding site 9 out of 9 in 8qcu

Go back to Rhenium Binding Sites List in 8qcu
Rhenium binding site 9 out of 9 in the Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks.


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 9 of Lysozyme Covalently Bound to Fac-[Re(Co)3-Imidazole] Complex, Incubated For 38 Weeks. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re215

b:33.0
occ:0.13
 HD3 A:ARG61 3.0 45.0 1.0
O A:PRO70 3.3 29.1 1.0
HE A:ARG61 3.6 47.6 1.0
CD A:ARG61 3.7 37.5 1.0
NE A:ARG61 3.9 39.6 1.0
HD2 A:ARG61 4.0 45.0 1.0
HG22 A:THR69 4.1 21.7 1.0
C A:PRO70 4.5 25.6 1.0
HA3 A:GLY71 4.8 36.0 1.0
CG2 A:THR69 4.9 18.1 1.0
HG2 A:ARG61 4.9 41.0 1.0
HB3 A:SER72 4.9 35.6 1.0
CG A:ARG61 4.9 34.1 1.0
HG21 A:THR69 4.9 21.7 1.0
CZ A:ARG61 4.9 39.1 1.0
O A:ASP48 5.0 29.1 1.0
HB2 A:ARG61 5.0 34.2 1.0

Reference:

F.J.F.Jacobs, J.R.Helliwell, A.Brink. Time-Series Analysis of Rhenium(I) Organometallic Covalent Binding to A Model Protein For Drug Development. Iucrj 2024.
ISSN: ESSN 2052-2525
PubMed: 38639558
DOI: 10.1107/S2052252524002598
Page generated: Thu Oct 10 12:29:12 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy