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

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

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

Protein crystallography data

The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose As Cryoprotectant, PDB code: 5uua 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) 21.04 / 1.60
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.705, 96.705, 106.734, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 16.6

Other elements in 5uua:

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

Zinc (Zn) 8 atoms
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose As Cryoprotectant (pdb code 5uua). 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% Xylose As Cryoprotectant, PDB code: 5uua:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5uua

Go back to Chlorine Binding Sites List in 5uua
Chlorine binding site 1 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose 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% Xylose As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:43.9
occ:0.81
 ZN A:ZN409 2.3 15.8 0.4
HA3 A:GLY248 2.8 19.8 1.0
HE2 A:TYR242 2.9 23.3 1.0
HZ1 A:LYS239 3.0 27.1 1.0
HD21 A:LEU243 3.3 18.4 1.0
O A:HOH809 3.4 21.7 0.7
O A:HOH574 3.5 45.9 1.0
CL A:CL412 3.5 64.8 0.9
HD23 A:LEU243 3.5 18.4 1.0
O A:HOH811 3.5 38.0 1.0
HZ2 A:LYS239 3.5 27.1 1.0
NZ A:LYS239 3.7 22.6 1.0
CA A:GLY248 3.8 16.5 1.0
CD2 A:LEU243 3.8 15.3 1.0
O A:GLY247 3.8 14.5 1.0
CE2 A:TYR242 3.8 19.4 1.0
H A:THR249 3.9 21.0 1.0
HH A:TYR242 4.0 31.2 1.0
HA2 A:GLY248 4.0 19.8 1.0
HZ3 A:LYS239 4.2 27.1 1.0
HD22 A:LEU243 4.3 18.4 1.0
N A:THR249 4.3 17.5 1.0
HE3 A:LYS239 4.3 23.0 1.0
O A:THR249 4.4 23.1 1.0
C A:GLY248 4.4 16.7 1.0
HD2 A:TYR242 4.4 19.3 1.0
O A:HOH901 4.5 55.8 1.0
HB2 A:HIS250 4.5 19.1 1.0
CE A:LYS239 4.6 19.2 1.0
CD2 A:TYR242 4.6 16.1 1.0
C A:GLY247 4.7 13.7 1.0
N A:GLY248 4.7 16.5 1.0
OH A:TYR242 4.7 26.0 1.0
CZ A:TYR242 4.8 19.8 1.0
HE2 A:LYS239 4.9 23.0 1.0
C A:THR249 5.0 19.5 1.0

Chlorine binding site 2 out of 4 in 5uua

Go back to Chlorine Binding Sites List in 5uua
Chlorine binding site 2 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose 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% Xylose As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:64.8
occ:0.94
 ZN A:ZN409 2.1 15.8 0.4
O A:HOH901 2.5 55.8 1.0
HZ1 A:LYS239 3.0 27.1 1.0
HZ3 A:LYS239 3.1 27.1 1.0
NZ A:LYS239 3.3 22.6 1.0
HZ2 A:LYS239 3.4 27.1 1.0
O A:HOH809 3.5 21.7 0.7
O A:SER206 3.5 16.6 1.0
CL A:CL411 3.5 43.9 0.8
CL A:CL413 3.9 28.2 0.7
HB2 A:ASP207 4.0 20.6 1.0
HE2 A:TYR242 4.5 23.3 1.0
HB2 A:SER206 4.5 19.1 1.0
C A:SER206 4.5 16.8 1.0
ZN A:ZN410 4.5 18.6 0.6
HA A:ASP207 4.7 19.2 1.0
CE A:LYS239 4.8 19.2 1.0
CB A:ASP207 4.8 17.1 1.0
O A:HOH628 4.8 39.9 1.0
HH A:TYR242 4.9 31.2 1.0
HE2 A:LYS239 5.0 23.0 1.0

Chlorine binding site 3 out of 4 in 5uua

Go back to Chlorine Binding Sites List in 5uua
Chlorine binding site 3 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose 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% Xylose As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:28.2
occ:0.67
 ZN A:ZN410 2.3 18.6 0.6
HE1 A:HIS250 3.0 19.2 1.0
HZ3 A:LYS239 3.1 27.1 1.0
O A:HOH809 3.3 21.7 0.7
O A:HOH526 3.4 28.3 1.0
CE1 A:HIS250 3.6 16.0 1.0
ND1 A:HIS250 3.6 15.4 1.0
HE2 A:LYS239 3.7 23.0 1.0
OD1 A:ASP207 3.7 20.3 1.0
HZ1 A:LYS239 3.7 27.1 1.0
NZ A:LYS239 3.7 22.6 1.0
ZN A:ZN409 3.8 15.8 0.4
OD2 A:ASP215 3.8 16.7 1.0
CL A:CL414 3.9 27.6 0.8
CL A:CL412 3.9 64.8 0.9
HA A:ASP207 4.0 19.2 1.0
CE A:LYS239 4.2 19.2 1.0
HD3 A:LYS239 4.4 20.9 1.0
CG A:ASP207 4.5 20.9 1.0
HZ2 A:LYS239 4.5 27.1 1.0
O A:SER206 4.6 16.6 1.0
HB2 A:ASP215 4.7 19.2 1.0
NE2 A:HIS250 4.8 14.8 1.0
HD2 A:PRO208 4.8 16.7 1.0
HB2 A:ASP207 4.8 20.6 1.0
CA A:ASP207 4.8 16.0 1.0
CG A:ASP215 4.9 15.1 1.0
CG A:HIS250 4.9 14.8 1.0
CD A:LYS239 4.9 17.4 1.0
CB A:ASP207 5.0 17.1 1.0

Chlorine binding site 4 out of 4 in 5uua

Go back to Chlorine Binding Sites List in 5uua
Chlorine binding site 4 out of 4 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Xylose 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% Xylose As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:27.6
occ:0.78
 ZN A:ZN410 2.2 18.6 0.6
H A:TYR251 2.7 19.0 1.0
HA A:HIS250 2.8 17.7 1.0
ND1 A:HIS250 3.4 15.4 1.0
O A:HOH809 3.4 21.7 0.7
N A:TYR251 3.5 15.8 1.0
CA A:HIS250 3.8 14.8 1.0
CL A:CL413 3.9 28.2 0.7
O A:HOH649 4.0 24.5 1.0
O A:THR249 4.0 23.1 1.0
CE1 A:HIS250 4.2 16.0 1.0
C A:HIS250 4.2 14.1 1.0
HE1 A:HIS250 4.2 19.2 1.0
CG A:HIS250 4.3 14.8 1.0
HA A:TYR251 4.4 18.6 1.0
CB A:HIS250 4.5 15.9 1.0
CA A:TYR251 4.6 15.5 1.0
HB2 A:HIS250 4.6 19.1 1.0
N A:HIS250 4.7 15.9 1.0
C A:THR249 4.8 19.5 1.0
H A:GLY252 4.9 20.2 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 18:20:40 2024

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