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

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

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

Protein crystallography data

The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant, PDB code: 5uuc 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) 19.89 / 1.60
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.546, 96.546, 105.280, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 16.6

Other elements in 5uuc:

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

Zinc (Zn) 10 atoms
Calcium (Ca) 3 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 5 in 5uuc

Go back to Chlorine Binding Sites List in 5uuc
Chlorine binding site 1 out of 5 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd 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% Mpd As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:21.5
occ:0.76
 ZN A:ZN409 2.2 14.7 0.7
HA3 A:GLY248 2.8 19.5 1.0
HZ1 A:LYS239 2.9 26.6 1.0
HE2 A:TYR242 2.9 21.0 1.0
O A:HOH714 3.2 17.7 1.0
HD21 A:LEU243 3.4 17.8 1.0
CL A:CL414 3.4 43.3 0.7
HZ2 A:LYS239 3.4 26.6 1.0
O A:HOH872 3.4 35.3 0.7
O A:HOH611 3.4 24.1 1.0
O A:HOH787 3.5 28.4 1.0
HD23 A:LEU243 3.5 17.8 1.0
NZ A:LYS239 3.6 22.2 1.0
CA A:GLY248 3.7 16.2 1.0
O A:HOH807 3.8 44.1 1.0
CE2 A:TYR242 3.8 17.5 1.0
O A:GLY247 3.9 14.8 1.0
H A:THR249 3.9 18.0 1.0
CD2 A:LEU243 3.9 14.8 1.0
HA2 A:GLY248 4.0 19.5 1.0
HZ3 A:LYS239 4.1 26.6 1.0
N A:THR249 4.3 15.0 1.0
HE3 A:LYS239 4.3 20.0 1.0
HD22 A:LEU243 4.3 17.8 1.0
C A:GLY248 4.4 16.5 1.0
O A:THR249 4.4 22.4 1.0
HD2 A:TYR242 4.5 19.1 1.0
CE A:LYS239 4.5 16.7 1.0
OH A:TYR242 4.5 25.7 1.0
HB2 A:HIS250 4.6 18.1 1.0
CD2 A:TYR242 4.6 15.9 1.0
C A:GLY247 4.7 14.7 1.0
CZ A:TYR242 4.7 21.2 1.0
N A:GLY248 4.7 15.2 1.0
O A:HOH740 4.8 37.9 1.0
HE2 A:LYS239 4.9 20.0 1.0

Chlorine binding site 2 out of 5 in 5uuc

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Chlorine binding site 2 out of 5 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd 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% Mpd As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:43.3
occ:0.74
 ZN A:ZN409 2.1 14.7 0.7
O A:HOH807 2.4 44.1 1.0
HZ1 A:LYS239 3.0 26.6 1.0
HZ3 A:LYS239 3.1 26.6 1.0
CL A:CL413 3.4 21.5 0.8
O A:HOH714 3.4 17.7 1.0
NZ A:LYS239 3.4 22.2 1.0
HZ2 A:LYS239 3.6 26.6 1.0
O A:SER206 3.8 16.8 1.0
CL A:CL415 4.0 20.5 0.9
HB2 A:ASP207 4.2 21.4 1.0
ZN A:ZN410 4.4 17.3 0.9
HE2 A:TYR242 4.7 21.0 1.0
CE A:LYS239 4.7 16.7 1.0
HE2 A:LYS239 4.8 20.0 1.0
HA A:ASP207 4.8 17.2 1.0
C A:SER206 4.9 15.6 1.0
CB A:ASP207 5.0 17.8 1.0
HB2 A:SER206 5.0 19.0 1.0

Chlorine binding site 3 out of 5 in 5uuc

Go back to Chlorine Binding Sites List in 5uuc
Chlorine binding site 3 out of 5 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd 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% Mpd As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:20.5
occ:0.92
 ZN A:ZN410 2.2 17.3 0.9
HE1 A:HIS250 3.0 19.4 1.0
ND1 A:HIS250 3.4 13.4 1.0
HZ3 A:LYS239 3.4 26.6 1.0
O A:HOH644 3.5 28.4 1.0
CE1 A:HIS250 3.5 16.2 1.0
O A:HOH548 3.5 18.2 1.0
HE2 A:LYS239 3.5 20.0 1.0
O A:HOH714 3.5 17.7 1.0
OD2 A:ASP215 3.6 15.4 1.0
HZ1 A:LYS239 3.8 26.6 1.0
CL A:CL416 3.8 14.9 0.9
OD1 A:ASP207 3.8 22.9 1.0
ZN A:ZN409 3.9 14.7 0.7
NZ A:LYS239 3.9 22.2 1.0
CL A:CL414 4.0 43.3 0.7
HA A:ASP207 4.1 17.2 1.0
CE A:LYS239 4.2 16.7 1.0
HD3 A:LYS239 4.6 18.6 1.0
CG A:ASP207 4.7 23.5 1.0
CG A:ASP215 4.7 14.9 1.0
NE2 A:HIS250 4.7 15.7 1.0
CG A:HIS250 4.7 14.1 1.0
HB2 A:ASP215 4.8 17.0 1.0
HZ2 A:LYS239 4.8 26.6 1.0
O A:SER206 4.9 16.8 1.0
HE3 A:LYS239 4.9 20.0 1.0
HD2 A:PRO208 4.9 17.2 1.0
CD A:LYS239 5.0 15.5 1.0

Chlorine binding site 4 out of 5 in 5uuc

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Chlorine binding site 4 out of 5 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd 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% Mpd As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl416

b:14.9
occ:0.89
 ZN A:ZN410 2.2 17.3 0.9
H A:TYR251 2.6 18.4 1.0
HA A:HIS250 2.7 17.7 1.0
ND1 A:HIS250 3.4 13.4 1.0
N A:TYR251 3.4 15.4 1.0
O A:HOH714 3.5 17.7 1.0
CA A:HIS250 3.7 14.8 1.0
CL A:CL415 3.8 20.5 0.9
O A:THR249 3.9 22.4 1.0
C A:HIS250 4.1 13.5 1.0
CE1 A:HIS250 4.2 16.2 1.0
CG A:HIS250 4.3 14.1 1.0
HA A:TYR251 4.3 18.6 1.0
HE1 A:HIS250 4.3 19.4 1.0
CB A:HIS250 4.4 15.1 1.0
CA A:TYR251 4.5 15.5 1.0
N A:HIS250 4.6 15.7 1.0
HB2 A:HIS250 4.6 18.1 1.0
C A:THR249 4.6 18.4 1.0
H A:GLY252 4.7 20.4 1.0
O A:HOH740 4.8 37.9 1.0
HD2 A:TYR251 4.9 17.2 1.0
CD2 A:TYR251 4.9 14.4 1.0

Chlorine binding site 5 out of 5 in 5uuc

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl417

b:27.5
occ:0.78
 HH21 A:ARG285 2.4 21.0 1.0
HE A:ARG285 2.4 21.7 1.0
HE2 A:LYS307 3.0 25.9 1.0
O A:HOH821 3.0 32.4 1.0
O A:HOH860 3.0 45.7 1.0
HG21 A:VAL289 3.1 18.4 1.0
HG2 A:LYS307 3.1 18.2 1.0
NH2 A:ARG285 3.1 17.5 1.0
NE A:ARG285 3.2 18.1 1.0
CZ A:ARG285 3.6 15.5 1.0
HG11 A:VAL289 3.7 21.5 1.0
O A:HOH867 3.8 33.5 1.0
CE A:LYS307 3.8 21.6 1.0
HH22 A:ARG285 3.8 21.0 1.0
HD3 A:LYS307 3.8 21.1 1.0
CG A:LYS307 3.9 15.1 1.0
CG2 A:VAL289 4.0 15.3 1.0
O A:HOH508 4.0 51.1 1.0
CD A:LYS307 4.1 17.6 1.0
HG2 A:ARG285 4.1 16.6 1.0
HE3 A:LYS307 4.2 25.9 1.0
CD A:ARG285 4.4 17.3 1.0
HG22 A:VAL289 4.4 18.4 1.0
HD3 A:ARG285 4.5 20.7 1.0
HB3 A:LYS307 4.5 19.2 1.0
HG23 A:VAL289 4.5 18.4 1.0
CG1 A:VAL289 4.5 17.9 1.0
HG3 A:LYS307 4.6 18.2 1.0
CG A:ARG285 4.7 13.8 1.0
HB A:VAL289 4.7 18.2 1.0
CB A:VAL289 4.7 15.2 1.0
HA A:LYS307 4.8 19.1 1.0
CB A:LYS307 4.8 16.0 1.0
HG13 A:VAL289 4.9 21.5 1.0
HZ3 A:LYS307 4.9 28.6 1.0
NH1 A:ARG285 4.9 16.0 1.0
HG3 A:ARG285 4.9 16.6 1.0
NZ A:LYS307 4.9 23.8 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 18:20:49 2024

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