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Chlorine in PDB 6qar: Thermolysine Under 2 Kbar of Argon

Enzymatic activity of Thermolysine Under 2 Kbar of Argon

All present enzymatic activity of Thermolysine Under 2 Kbar of Argon:
3.4.24.27;

Protein crystallography data

The structure of Thermolysine Under 2 Kbar of Argon, PDB code: 6qar was solved by T.Prange, P.Carpentier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.65 / 1.85
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.669, 92.669, 129.203, 90.00, 90.00, 120.00
R / Rfree (%) 15.9 / 19.6

Other elements in 6qar:

The structure of Thermolysine Under 2 Kbar of Argon also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Argon (Ar) 20 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thermolysine Under 2 Kbar of Argon (pdb code 6qar). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Thermolysine Under 2 Kbar of Argon, PDB code: 6qar:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6qar

Go back to Chlorine Binding Sites List in 6qar
Chlorine binding site 1 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl528

b:25.4
occ:1.00
 NZ A:LYS18 3.1 19.5 1.0
N A:ASP16 3.2 22.2 1.0
O A:HOH1134 3.3 25.0 1.0
N A:LEU14 3.4 20.0 1.0
CA A:GLY12 3.4 16.8 1.0
CB A:ASP16 3.5 30.5 1.0
C A:GLY12 3.5 19.8 1.0
N A:GLY15 3.5 24.3 1.0
CB A:LEU14 3.7 25.6 1.0
N A:GLY12 3.7 17.4 1.0
O A:ASP16 3.8 20.4 1.0
CA A:LEU14 3.8 26.8 1.0
C A:LEU14 3.8 29.4 1.0
CE A:LYS18 3.8 18.4 1.0
CA A:ASP16 3.8 21.6 1.0
N A:VAL13 3.8 16.0 1.0
O A:GLY12 3.9 19.2 1.0
OD2 A:ASP72 4.0 18.5 1.0
OD1 A:ASP72 4.2 17.6 1.0
CG A:ASP16 4.2 38.1 1.0
C A:ASP16 4.2 27.0 1.0
C A:GLY15 4.3 24.7 1.0
C A:VAL13 4.4 18.8 1.0
CA A:GLY15 4.4 23.1 1.0
OH A:TYR76 4.5 19.1 1.0
O A:LEU14 4.5 25.8 1.0
CG A:LEU14 4.5 27.6 1.0
CG A:ASP72 4.5 18.2 1.0
OD2 A:ASP16 4.6 42.4 1.0
CA A:VAL13 4.8 20.1 1.0
OD1 A:ASP16 4.8 33.1 1.0
C A:ARG11 5.0 16.2 1.0

Chlorine binding site 2 out of 9 in 6qar

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Chlorine binding site 2 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl529

b:37.4
occ:1.00
 NE A:ARG285 3.3 27.1 1.0
NH2 A:ARG285 3.4 28.0 1.0
CZ A:ARG285 3.7 28.4 1.0
CE A:LYS307 3.8 32.9 1.0
CG A:LYS307 3.8 27.1 1.0
CG2 A:VAL289 3.9 30.1 1.0
CD A:LYS307 4.3 34.5 1.0
CD A:ARG285 4.4 23.4 1.0
CG1 A:VAL289 4.4 26.1 1.0
NZ A:LYS307 4.6 38.4 1.0
CB A:VAL289 4.6 29.8 1.0
CG A:ARG285 4.7 23.8 1.0
CB A:LYS307 4.9 24.6 1.0

Chlorine binding site 3 out of 9 in 6qar

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Chlorine binding site 3 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl530

b:36.6
occ:1.00
 O A:HOH1163 3.3 25.8 1.0
O A:HOH1301 3.4 36.5 1.0
CE2 A:TYR75 3.8 29.6 1.0
CE A:LYS182 3.8 71.3 1.0
CE1 A:TYR76 4.0 18.9 1.0
CB A:ALA180 4.1 27.6 1.0
NZ A:LYS182 4.2 69.3 1.0
OH A:TYR75 4.4 38.0 1.0
CZ A:TYR75 4.5 31.5 1.0
CG A:LYS182 4.7 63.9 1.0
CD2 A:TYR75 4.7 27.1 1.0
CD1 A:TYR76 4.7 19.8 1.0
O A:ALA180 4.8 24.6 1.0
CG2 A:VAL79 4.8 23.0 1.0
CB A:LYS182 4.8 52.7 1.0
CD1 A:ILE137 4.8 24.8 1.0
CD A:LYS182 4.9 64.4 1.0

Chlorine binding site 4 out of 9 in 6qar

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Chlorine binding site 4 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl531

b:27.8
occ:1.00
 ZN A:ZN507 2.1 19.1 1.0
OE2 A:GLU166 3.1 17.5 1.0
NE2 A:HIS231 3.2 18.0 1.0
NE2 A:HIS142 3.3 19.9 1.0
N A:VAL537 3.3 24.0 1.0
CA A:VAL537 3.4 26.5 1.0
OH A:TYR157 3.5 25.8 1.0
NE2 A:HIS146 3.6 18.4 1.0
C A:VAL537 3.6 26.8 1.0
O A:HOH1222 3.7 26.8 1.0
O A:VAL537 3.9 24.0 1.0
CD A:GLU166 3.9 19.5 1.0
OE1 A:GLU166 4.0 17.3 1.0
CD2 A:HIS142 4.1 16.4 1.0
CE1 A:HIS231 4.1 19.2 1.0
N A:LYS538 4.1 24.4 1.0
CD2 A:HIS231 4.1 20.5 1.0
OE1 A:GLU143 4.2 24.5 1.0
CD2 A:HIS146 4.2 20.3 1.0
CE1 A:HIS142 4.3 16.7 1.0
OXT A:LYS538 4.6 25.9 1.0
CE1 A:HIS146 4.6 21.3 1.0
OE2 A:GLU143 4.6 23.1 1.0
CZ A:TYR157 4.7 27.6 1.0
CD A:GLU143 4.8 21.7 1.0
CA A:LYS538 4.9 27.2 1.0
CB A:VAL537 4.9 26.3 1.0
C A:LYS538 4.9 27.1 1.0

Chlorine binding site 5 out of 9 in 6qar

Go back to Chlorine Binding Sites List in 6qar
Chlorine binding site 5 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl532

b:37.2
occ:0.80
 N A:ALA99 3.1 21.8 1.0
ND2 A:ASN37 3.6 36.4 1.0
CB A:ALA99 3.7 21.7 1.0
CA A:ALA98 3.8 24.9 1.0
C A:ALA98 4.0 22.9 1.0
CB A:ASN37 4.0 29.3 1.0
CA A:ALA99 4.0 21.7 1.0
CG A:ASN37 4.3 31.2 1.0
CB A:ALA98 4.4 26.2 1.0
O A:HOH1160 4.6 28.2 1.0
O A:ASN97 4.6 20.9 1.0
N A:ALA98 4.9 23.2 1.0

Chlorine binding site 6 out of 9 in 6qar

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Chlorine binding site 6 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl533

b:47.2
occ:0.60
 N A:ASP226 2.9 25.2 1.0
CA A:GLN225 3.6 31.9 1.0
C A:GLN225 3.7 25.8 1.0
CB A:GLN225 3.7 33.5 1.0
CA A:ASP226 3.8 22.6 1.0
CG A:GLN225 4.2 44.3 1.0
CB A:ASP226 4.3 20.7 1.0
O A:HOH1227 4.4 35.7 1.0
O A:GLN225 4.9 24.4 1.0

Chlorine binding site 7 out of 9 in 6qar

Go back to Chlorine Binding Sites List in 6qar
Chlorine binding site 7 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl534

b:47.0
occ:0.50
 O A:TYR24 3.9 20.3 1.0
CD2 A:TYR24 4.4 25.4 1.0
CA A:GLY3 4.5 28.0 1.0
N A:THR4 4.5 21.6 1.0
CG2 A:THR4 4.6 23.3 1.0
CE2 A:TYR24 4.7 27.2 1.0
C A:GLY3 4.7 27.0 1.0
CA A:SER25 4.8 25.7 1.0
C A:TYR24 4.8 19.2 1.0
CB A:THR4 4.9 26.3 1.0

Chlorine binding site 8 out of 9 in 6qar

Go back to Chlorine Binding Sites List in 6qar
Chlorine binding site 8 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl535

b:34.0
occ:0.50
 O A:HOH1260 3.1 20.0 1.0
N A:SER65 3.3 22.5 1.0
OG A:SER65 3.8 33.2 1.0
CA A:ALA64 3.8 22.0 1.0
CB A:ALA64 4.0 21.6 1.0
C A:ALA64 4.1 21.1 1.0
CB A:SER65 4.4 29.3 1.0
CA A:SER65 4.4 26.6 1.0

Chlorine binding site 9 out of 9 in 6qar

Go back to Chlorine Binding Sites List in 6qar
Chlorine binding site 9 out of 9 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Thermolysine Under 2 Kbar of Argon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl536

b:33.4
occ:0.50
 O A:HOH1127 2.5 34.3 1.0
O A:TYR211 2.5 31.7 1.0
O A:HOH1198 2.6 26.8 1.0
C A:TYR211 3.6 29.7 1.0
CB A:TYR211 4.1 30.3 1.0
CA A:TYR211 4.3 27.2 1.0
O A:HOH1102 4.4 33.1 1.0
OD1 A:ASP213 4.5 23.3 1.0
O A:LEU202 4.6 21.0 1.0
N A:GLY212 4.6 24.2 1.0
CA A:GLY212 4.8 24.5 1.0
O A:HOH1184 4.9 32.3 1.0
OD2 A:ASP213 4.9 25.1 1.0
CG A:ASP213 5.0 22.4 1.0

Reference:

T.Prange, P.Carpentier. Labelling Protein Crystals By Argon at 2 Kbar To Be Published.
Page generated: Mon Jul 29 13:53:10 2024

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