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Chlorine in PDB 3qwd: Crystal Structure of Clpp From Staphylococcus Aureus

Enzymatic activity of Crystal Structure of Clpp From Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of Clpp From Staphylococcus Aureus:
3.4.21.92;

Protein crystallography data

The structure of Crystal Structure of Clpp From Staphylococcus Aureus, PDB code: 3qwd was solved by S.R.Geiger, T.Boettcher, S.A.Sieber, P.Cramer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.99 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 172.048, 177.974, 100.278, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Clpp From Staphylococcus Aureus (pdb code 3qwd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Clpp From Staphylococcus Aureus, PDB code: 3qwd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3qwd

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Chlorine binding site 1 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:81.5
occ:1.00
 CE1 A:HIS142 2.9 89.6 0.5
ND1 A:HIS142 3.3 90.6 0.5
NE2 A:HIS142 3.4 90.1 0.5
ND1 A:HIS142 3.8 87.3 0.5
O A:LEU126 3.8 92.2 1.0
CG A:HIS142 4.1 89.3 0.5
CD2 A:HIS142 4.2 91.1 0.5
NE A:ARG147 4.2 0.8 1.0
CD2 A:LEU126 4.3 86.6 1.0
CE1 A:HIS142 4.4 87.6 0.5
CB A:ARG147 4.6 55.5 1.0
C A:LEU126 4.6 91.4 1.0
CA A:LEU126 4.7 80.1 1.0
CD A:ARG147 4.9 94.6 1.0
CG A:ARG147 4.9 75.0 1.0
CG A:HIS142 5.0 87.6 0.5

Chlorine binding site 2 out of 7 in 3qwd

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Chlorine binding site 2 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:99.6
occ:1.00
 CE1 B:HIS142 3.3 0.2 0.5
O B:LEU126 3.3 0.3 1.0
ND1 B:HIS142 3.5 0.6 0.5
C B:LEU126 4.2 0.3 1.0
NE B:ARG147 4.3 0.6 1.0
NE2 B:HIS142 4.3 0.2 0.5
CA B:LEU126 4.3 0.1 1.0
CD2 B:LEU126 4.4 0.6 1.0
CB B:ARG147 4.5 73.1 1.0
CG B:HIS142 4.7 0.1 0.5
CB B:ASN141 4.8 97.0 1.0
CB B:LEU126 4.8 0.8 1.0
CD B:ARG147 4.9 0.8 1.0
CG B:ARG147 4.9 90.7 1.0

Chlorine binding site 3 out of 7 in 3qwd

Go back to Chlorine Binding Sites List in 3qwd
Chlorine binding site 3 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:82.3
occ:1.00
 CE1 C:HIS142 3.0 90.1 0.5
NE2 C:HIS142 3.1 90.4 0.5
O C:LEU126 3.4 92.6 1.0
ND1 C:HIS142 3.6 90.5 0.5
CD2 C:HIS142 3.8 90.4 0.5
CD2 C:HIS142 3.9 89.9 0.5
CG C:HIS142 4.1 88.4 0.5
C C:LEU126 4.3 93.7 1.0
CA C:LEU126 4.4 87.8 1.0
NE C:ARG147 4.5 0.8 1.0
CD2 C:LEU126 4.6 95.6 1.0
CG C:HIS142 4.7 88.1 0.5
NE2 C:HIS142 4.7 90.6 0.5
CB C:ARG147 4.7 62.6 1.0
CB C:LEU126 4.9 90.4 1.0
CB C:HIS142 4.9 84.0 0.5

Chlorine binding site 4 out of 7 in 3qwd

Go back to Chlorine Binding Sites List in 3qwd
Chlorine binding site 4 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl204

b:78.9
occ:1.00
 NH2 D:ARG157 3.1 70.1 1.0
N D:LYS109 3.8 50.0 1.0
CA D:ALA108 4.0 47.7 1.0
CZ D:ARG157 4.2 74.5 1.0
CD D:LYS109 4.4 76.1 1.0
CB D:LYS109 4.4 55.8 1.0
C D:ALA108 4.5 52.7 1.0
NH1 D:ARG157 4.5 47.8 1.0
CB D:ALA108 4.6 49.7 1.0
O D:GLY107 4.7 52.2 1.0
CA D:LYS109 4.8 50.6 1.0
CG D:LYS109 4.9 72.6 1.0

Chlorine binding site 5 out of 7 in 3qwd

Go back to Chlorine Binding Sites List in 3qwd
Chlorine binding site 5 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl204

b:98.4
occ:1.00
 NH1 L:ARG157 3.1 98.8 1.0
O L:HOH305 3.5 63.1 1.0
N L:LYS109 3.7 62.4 1.0
CD L:LYS109 3.7 97.5 1.0
NH2 L:ARG157 3.8 71.5 1.0
CZ L:ARG157 3.9 0.3 1.0
CG L:LYS109 3.9 86.2 1.0
CA L:ALA108 4.0 59.0 1.0
C L:ALA108 4.3 62.8 1.0
CB L:LYS109 4.4 68.7 1.0
O L:GLY107 4.4 55.3 1.0
CA L:LYS109 4.6 63.5 1.0
NE2 L:GLN82 4.6 84.8 1.0
N L:ALA108 4.8 57.4 1.0
CB L:ALA108 4.9 62.0 1.0
O L:HOH304 4.9 57.5 1.0
C L:GLY107 5.0 57.3 1.0

Chlorine binding site 6 out of 7 in 3qwd

Go back to Chlorine Binding Sites List in 3qwd
Chlorine binding site 6 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl205

b:81.8
occ:1.00
 NH1 L:ARG147 3.3 0.9 1.0
NE2 L:HIS142 3.3 78.5 0.5
CD2 L:HIS142 3.6 78.7 0.5
O L:LEU126 3.7 0.9 1.0
CD2 L:HIS142 3.8 78.4 0.5
CE1 L:HIS142 4.1 79.9 0.5
NE2 L:HIS142 4.3 78.9 0.5
CG L:HIS142 4.4 78.7 0.5
CA L:LEU126 4.5 1.0 1.0
CZ L:ARG147 4.5 0.4 1.0
C L:LEU126 4.5 0.5 1.0
CB L:ARG147 4.5 57.2 1.0
ND1 L:HIS142 4.7 81.6 0.5
CG L:HIS142 4.8 78.8 0.5
CD2 L:LEU126 4.8 0.5 1.0
CD L:ARG147 4.9 93.9 1.0
CG L:ARG147 5.0 72.4 1.0

Chlorine binding site 7 out of 7 in 3qwd

Go back to Chlorine Binding Sites List in 3qwd
Chlorine binding site 7 out of 7 in the Crystal Structure of Clpp From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Clpp From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl204

b:93.4
occ:1.00
 NH1 M:ARG147 3.2 0.2 1.0
O M:LEU126 3.3 0.7 1.0
ND1 M:HIS142 3.4 0.9 1.0
CE1 M:HIS142 3.8 0.7 1.0
C M:LEU126 4.2 0.8 1.0
CA M:LEU126 4.3 97.0 1.0
CD2 M:LEU126 4.3 0.4 1.0
CG M:HIS142 4.4 0.1 1.0
CZ M:ARG147 4.4 0.5 1.0
CB M:LEU126 4.7 99.8 1.0
CB M:ARG147 4.7 69.9 1.0
NE2 M:HIS142 4.9 1.0 1.0
CB M:HIS142 4.9 0.6 1.0

Reference:

S.R.Geiger, T.Bottcher, S.A.Sieber, P.Cramer. A Conformational Switch Underlies Clpp Protease Function. Angew.Chem.Int.Ed.Engl. V. 50 5749 2011.
ISSN: ISSN 1433-7851
PubMed: 21544912
DOI: 10.1002/ANIE.201100666
Page generated: Sat Dec 12 10:05:45 2020

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