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:
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
|