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Chlorine in PDB 5uue: Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant

Enzymatic activity of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant

All present enzymatic activity of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant:
3.4.24.27;

Protein crystallography data

The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant, PDB code: 5uue was solved by D.H.Juers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.80 / 1.60
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.149, 96.149, 104.800, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.5

Other elements in 5uue:

The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant also contains other interesting chemical elements:

Zinc (Zn) 6 atoms
Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant (pdb code 5uue). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant, PDB code: 5uue:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5uue

Go back to Chlorine Binding Sites List in 5uue
Chlorine binding site 1 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:29.7
occ:0.87
 ZN A:ZN408 2.2 19.0 0.6
HZ1 A:LYS239 2.8 33.3 1.0
HA3 A:GLY248 2.9 26.8 1.0
HE2 A:TYR242 3.0 21.1 1.0
O A:HOH579 3.1 20.5 1.0
HD21 A:LEU243 3.3 18.8 1.0
HZ2 A:LYS239 3.3 33.3 1.0
NZ A:LYS239 3.5 27.7 1.0
CL A:CL411 3.5 56.1 0.8
O A:HOH650 3.5 28.9 1.0
HD23 A:LEU243 3.6 18.8 1.0
CA A:GLY248 3.9 22.3 1.0
O A:GLY247 3.9 17.5 1.0
CD2 A:LEU243 3.9 15.6 1.0
CE2 A:TYR242 3.9 17.6 1.0
H A:THR249 3.9 24.9 1.0
O A:HOH860 4.0 50.9 1.0
HZ3 A:LYS239 4.0 33.3 1.0
HA2 A:GLY248 4.2 26.8 1.0
O A:THR249 4.3 27.1 1.0
HE3 A:LYS239 4.3 23.6 1.0
HD2 A:TYR242 4.3 22.4 1.0
N A:THR249 4.3 20.7 1.0
HD22 A:LEU243 4.4 18.8 1.0
C A:GLY248 4.5 23.7 1.0
CE A:LYS239 4.5 19.7 1.0
CD2 A:TYR242 4.6 18.7 1.0
C A:GLY247 4.7 18.1 1.0
HB2 A:HIS250 4.7 21.1 1.0
N A:GLY248 4.8 20.9 1.0
OH A:TYR242 4.8 22.2 1.0
CZ A:TYR242 4.9 20.7 1.0
HE2 A:LYS239 4.9 23.6 1.0
C A:THR249 5.0 23.5 1.0
HG A:LEU243 5.0 19.2 1.0

Chlorine binding site 2 out of 4 in 5uue

Go back to Chlorine Binding Sites List in 5uue
Chlorine binding site 2 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:56.1
occ:0.81
 ZN A:ZN408 2.2 19.0 0.6
O A:HOH860 2.3 50.9 1.0
HZ1 A:LYS239 2.7 33.3 1.0
HZ3 A:LYS239 2.9 33.3 1.0
NZ A:LYS239 3.2 27.7 1.0
O A:SER206 3.5 21.6 1.0
CL A:CL410 3.5 29.7 0.9
HZ2 A:LYS239 3.6 33.3 1.0
O A:HOH579 3.6 20.5 1.0
HB2 A:ASP207 3.7 22.3 1.0
CL A:CL412 3.9 25.0 1.0
O A:HOH684 4.0 55.0 1.0
HE2 A:LYS239 4.4 23.6 1.0
CE A:LYS239 4.4 19.7 1.0
ZN A:ZN409 4.5 20.2 0.9
C A:SER206 4.5 20.4 1.0
HA A:ASP207 4.6 21.4 1.0
HB2 A:SER206 4.6 25.0 1.0
CB A:ASP207 4.6 18.6 1.0
HE2 A:TYR242 4.7 21.1 1.0
HE3 A:LYS239 4.9 23.6 1.0
CG A:ASP207 4.9 26.0 1.0
CA A:ASP207 5.0 17.8 1.0

Chlorine binding site 3 out of 4 in 5uue

Go back to Chlorine Binding Sites List in 5uue
Chlorine binding site 3 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:25.0
occ:1.00
 ZN A:ZN409 2.2 20.2 0.9
HE1 A:HIS250 3.0 23.9 1.0
HE2 A:LYS239 3.2 23.6 1.0
CE1 A:HIS250 3.5 19.9 1.0
ND1 A:HIS250 3.5 16.8 1.0
O A:HOH515 3.5 22.2 1.0
O A:HOH579 3.7 20.5 1.0
OD2 A:ASP215 3.8 19.0 1.0
OD1 A:ASP207 3.8 23.4 1.0
HZ3 A:LYS239 3.8 33.3 1.0
ZN A:ZN408 3.8 19.0 0.6
CL A:CL413 3.8 20.1 1.0
HZ1 A:LYS239 3.9 33.3 1.0
CL A:CL411 3.9 56.1 0.8
CE A:LYS239 4.0 19.7 1.0
HA A:ASP207 4.0 21.4 1.0
NZ A:LYS239 4.1 27.7 1.0
CG A:ASP207 4.5 26.0 1.0
HE3 A:LYS239 4.6 23.6 1.0
HD3 A:LYS239 4.6 16.4 1.0
O A:SER206 4.7 21.6 1.0
NE2 A:HIS250 4.8 16.8 1.0
CG A:HIS250 4.8 16.1 1.0
HB2 A:ASP215 4.8 19.6 1.0
HB2 A:ASP207 4.8 22.3 1.0
CG A:ASP215 4.9 17.5 1.0
HD2 A:PRO208 4.9 16.9 1.0
CA A:ASP207 4.9 17.8 1.0
CD A:LYS239 4.9 13.7 1.0
HZ2 A:LYS239 5.0 33.3 1.0

Chlorine binding site 4 out of 4 in 5uue

Go back to Chlorine Binding Sites List in 5uue
Chlorine binding site 4 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Methanol As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:20.1
occ:1.00
 ZN A:ZN409 2.2 20.2 0.9
H A:TYR251 2.6 23.4 1.0
HA A:HIS250 2.7 22.0 1.0
N A:TYR251 3.4 19.5 1.0
ND1 A:HIS250 3.5 16.8 1.0
O A:HOH579 3.6 20.5 1.0
CA A:HIS250 3.6 18.3 1.0
CL A:CL412 3.8 25.0 1.0
O A:THR249 3.9 27.1 1.0
C A:HIS250 4.0 19.0 1.0
CE1 A:HIS250 4.3 19.9 1.0
HA A:TYR251 4.3 22.3 1.0
CG A:HIS250 4.3 16.1 1.0
HE1 A:HIS250 4.3 23.9 1.0
CB A:HIS250 4.4 17.6 1.0
CA A:TYR251 4.5 18.6 1.0
N A:HIS250 4.5 20.5 1.0
C A:THR249 4.6 23.5 1.0
HB2 A:HIS250 4.7 21.1 1.0
H A:GLY252 4.8 27.2 1.0
CD2 A:TYR251 4.9 18.1 1.0
HD2 A:TYR251 5.0 21.8 1.0

Reference:

D.H.Juers, C.A.Farley, C.P.Saxby, R.A.Cotter, J.K.B.Cahn, R.C.Holton-Burke, K.Harrison, Z.Wu. The Impact of Cryosolution Thermal Contraction on Proteins and Protein Crystals: Volumes, Conformation and Order. Acta Crystallogr D Struct V. 74 922 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 30198901
DOI: 10.1107/S2059798318008793
Page generated: Fri Jul 26 18:21:39 2024

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