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Chlorine in PDB 5cxd: 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group

Enzymatic activity of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group

All present enzymatic activity of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group:
2.7.8.7;

Protein crystallography data

The structure of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group, PDB code: 5cxd was solved by A.S.Halavaty, G.Minasov, L.Papazisi, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.29 / 1.75
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 103.117, 103.117, 71.189, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.3

Other elements in 5cxd:

The structure of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group (pdb code 5cxd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group, PDB code: 5cxd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 1 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:64.0
occ:1.00
 N A:THR42 3.1 46.0 1.0
N A:HIS43 3.2 53.9 1.0
O A:HOH386 3.4 55.3 1.0
CB A:HIS43 3.6 56.9 1.0
OG1 A:THR42 3.6 51.7 1.0
CD1 A:PHE41 3.8 37.9 1.0
CA A:PHE41 3.8 36.5 1.0
C A:PHE41 3.9 40.2 1.0
CA A:THR42 3.9 50.5 1.0
CA A:HIS43 4.0 54.0 1.0
C A:THR42 4.0 55.8 1.0
CB A:PHE41 4.0 35.5 1.0
CG A:PHE41 4.3 34.9 1.0
O A:HIS43 4.4 41.8 1.0
CB A:THR42 4.4 52.9 1.0
CB A:ARG46 4.6 47.9 1.0
C A:HIS43 4.7 49.1 1.0
CE1 A:PHE41 4.8 36.6 1.0
CG A:HIS43 4.9 60.2 1.0

Chlorine binding site 2 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 2 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:25.2
occ:0.80
 O B:HOH384 1.4 16.1 0.5
OG A:SER100 3.0 15.7 1.0
CE B:LYS63 3.1 35.3 1.0
N A:ILE101 3.4 15.2 1.0
CD A:PRO88 3.5 24.2 1.0
CA A:SER100 3.5 15.0 1.0
O B:HOH384 3.7 21.0 0.5
CB A:SER100 3.7 15.3 1.0
CG A:PRO88 3.7 23.8 1.0
O A:ILE101 3.8 16.4 1.0
NZ B:LYS63 3.9 38.2 1.0
CD B:LYS63 3.9 29.8 1.0
C A:SER100 4.0 14.9 1.0
CG B:LYS63 4.0 25.5 1.0
CB B:LYS63 4.2 23.0 1.0
O A:VAL99 4.4 15.5 1.0
CA A:ILE101 4.5 16.1 1.0
C A:ILE101 4.6 16.3 1.0
N A:SER100 4.7 14.8 1.0
O A:HOH388 4.8 21.9 0.5
N A:PRO88 4.9 21.9 1.0
CB A:ILE101 4.9 17.2 1.0
C A:VAL99 5.0 15.3 1.0

Chlorine binding site 3 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 3 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:21.8
occ:1.00
 NZ A:LYS37 3.2 22.3 1.0
ND2 A:ASN33 3.4 22.2 1.0
CE A:LYS37 3.9 22.7 1.0
CB A:TYR81 3.9 18.7 1.0
OD1 A:ASN33 4.0 25.6 1.0
CG A:ASN33 4.1 22.4 1.0
O A:HOH331 4.5 20.4 1.0
CG A:TYR81 4.6 19.6 1.0
CD2 A:TYR81 4.7 20.6 1.0

Chlorine binding site 4 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 4 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:36.8
occ:1.00
 O C:HOH366 2.9 42.0 1.0
N A:GLU11 3.1 25.6 1.0
CD A:ARG14 3.5 49.0 1.0
CB A:GLU11 3.6 33.3 1.0
CG2 C:THR104 3.8 29.3 1.0
CA A:ILE10 3.9 25.5 1.0
CA A:GLU11 3.9 28.0 1.0
CB C:THR104 4.0 29.5 1.0
C A:ILE10 4.0 23.9 1.0
NE A:ARG14 4.1 51.9 1.0
O A:HOH316 4.2 37.9 1.0
O A:LEU9 4.4 21.3 1.0
CA C:THR104 4.4 27.9 1.0
CG A:ARG14 4.5 43.1 1.0
O A:GLU11 4.6 25.6 1.0
CD1 A:ILE10 4.6 33.2 1.0
OE1 A:GLU11 4.7 49.5 1.0
C A:GLU11 4.7 26.6 1.0
CB A:ARG14 4.8 35.9 1.0
CG2 A:ILE10 4.8 33.2 1.0
CB A:ILE10 4.9 28.2 1.0
N A:ILE10 4.9 21.3 1.0
CG A:GLU11 4.9 40.9 1.0

Chlorine binding site 5 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 5 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:52.1
occ:1.00
 O B:HOH301 2.8 34.5 1.0
N A:HIS103 3.1 20.3 0.5
N A:HIS103 3.1 20.0 0.5
O B:HOH329 3.2 26.7 1.0
OG A:SER102 3.5 18.7 1.0
O A:HIS103 3.5 21.6 0.5
O A:HIS103 3.5 21.9 0.5
CA A:SER102 3.6 17.8 1.0
OD1 B:ASP8 3.8 26.8 1.0
C A:SER102 3.8 19.1 1.0
ND1 A:HIS103 4.0 22.7 0.5
CB A:SER102 4.0 17.8 1.0
CA A:HIS103 4.1 21.7 0.5
CA A:HIS103 4.2 21.1 0.5
C A:HIS103 4.3 22.0 0.5
C A:HIS103 4.3 21.7 0.5
CE1 A:HIS103 4.3 23.8 0.5
CB A:HIS103 4.4 23.1 0.5
CG A:HIS103 4.5 22.7 0.5
O A:ILE101 4.5 16.4 1.0
NZ B:LYS63 4.6 38.2 1.0
ND1 A:HIS103 4.7 24.4 0.5
N A:SER102 4.8 16.9 1.0
CB A:HIS103 4.9 21.8 0.5
O B:HOH340 4.9 32.1 1.0

Chlorine binding site 6 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 6 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:27.0
occ:1.00
 O B:HOH409 3.0 37.8 1.0
N B:THR42 3.1 28.5 1.0
N B:HIS43 3.2 27.6 1.0
ND1 B:HIS43 3.6 38.4 1.0
CB B:ARG46 3.8 23.0 1.0
CA B:PHE41 3.8 23.8 1.0
CB B:PHE41 3.8 22.5 1.0
CG B:ARG46 3.9 23.9 1.0
CB B:HIS43 3.9 28.9 1.0
C B:PHE41 3.9 26.9 1.0
CA B:THR42 4.0 31.9 1.0
CA B:HIS43 4.1 27.5 1.0
C B:THR42 4.1 30.6 1.0
CG B:HIS43 4.2 35.4 1.0
CB B:THR42 4.2 34.8 1.0
CD1 B:PHE41 4.2 21.5 1.0
O B:HOH335 4.3 38.4 1.0
O B:HIS43 4.4 26.2 1.0
CG B:PHE41 4.4 21.1 1.0
CE1 B:HIS43 4.7 36.5 1.0
C B:HIS43 4.8 28.0 1.0
CD B:ARG46 4.9 23.7 1.0
OG1 B:THR42 4.9 37.9 1.0

Chlorine binding site 7 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 7 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:28.9
occ:1.00
 NE B:ARG14 3.1 37.4 1.0
O B:HOH365 3.1 29.6 1.0
N B:GLU11 3.2 22.1 1.0
NH1 B:ARG14 3.4 36.7 1.0
CZ B:ARG14 3.7 38.7 1.0
CG2 A:THR104 3.8 24.3 1.0
CA B:ILE10 3.8 20.2 1.0
CB B:GLU11 3.8 27.0 1.0
C B:ILE10 4.0 21.4 1.0
CB A:THR104 4.1 25.3 1.0
CA B:GLU11 4.1 24.3 1.0
CD B:ARG14 4.1 36.2 1.0
CD1 B:ILE10 4.2 21.3 1.0
O B:LEU9 4.3 18.8 1.0
CA A:THR104 4.4 23.7 1.0
CG2 B:ILE10 4.4 22.3 1.0
O B:HOH329 4.5 26.7 1.0
O B:GLU11 4.5 23.5 1.0
CB B:ILE10 4.6 20.2 1.0
CB B:ARG14 4.7 32.3 1.0
C B:GLU11 4.8 24.6 1.0
N B:ILE10 4.8 18.8 1.0
O A:HIS103 4.9 21.9 0.5
O A:HIS103 4.9 21.6 0.5
C B:LEU9 5.0 18.7 1.0
CG1 B:ILE10 5.0 20.7 1.0
NH2 B:ARG14 5.0 41.4 1.0

Chlorine binding site 8 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 8 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:37.1
occ:1.00
 NZ B:LYS37 2.5 38.3 1.0
O B:HOH411 2.9 36.0 1.0
O B:HOH346 3.0 23.2 1.0
CE B:LYS37 3.2 33.9 1.0
O B:HOH387 3.2 23.4 1.0
NH2 B:ARG46 3.3 29.5 1.0
O B:HOH404 3.6 23.9 1.0
CE1 B:PHE50 3.7 19.2 1.0
CD1 B:PHE50 3.7 18.1 1.0
NH1 B:ARG54 3.8 17.9 1.0
CD B:LYS37 4.0 29.7 1.0
O B:HOH354 4.1 25.8 1.0
CZ B:ARG46 4.3 26.6 1.0
NH1 B:ARG46 4.3 30.5 1.0
NH2 B:ARG54 4.5 19.0 1.0
O B:HOH402 4.6 34.1 1.0
CZ B:ARG54 4.6 17.3 1.0
O B:HOH336 4.8 18.7 1.0
O B:HOH305 4.8 27.6 1.0
ND2 B:ASN82 4.9 26.5 1.0

Chlorine binding site 9 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 9 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:48.2
occ:1.00
 N B:LYS24 3.1 42.5 1.0
C B:GLN22 3.4 37.7 1.0
CB B:LYS24 3.4 50.4 1.0
CA B:GLN22 3.5 41.4 1.0
N B:PRO23 3.5 37.5 1.0
CD B:PRO23 3.7 37.2 1.0
N B:LEU25 3.7 39.5 1.0
CA B:LYS24 3.7 43.4 1.0
CG B:LYS24 3.8 55.2 1.0
O B:GLN22 3.8 36.0 1.0
CB B:GLN22 4.0 42.5 1.0
CG B:LEU25 4.1 50.8 1.0
C B:PRO23 4.1 37.7 1.0
CG B:PRO23 4.2 37.0 1.0
C B:LYS24 4.3 39.9 1.0
CA B:PRO23 4.3 35.8 1.0
CB B:LEU25 4.7 44.0 1.0
CD2 B:LEU25 4.8 51.7 1.0
N B:GLN22 4.8 40.0 1.0
CD1 B:LEU25 4.8 52.8 1.0
CA B:LEU25 4.8 42.1 1.0
CB B:PRO23 4.9 37.4 1.0
O B:LYS21 4.9 45.5 1.0

Chlorine binding site 10 out of 12 in 5cxd

Go back to Chlorine Binding Sites List in 5cxd
Chlorine binding site 10 out of 12 in the 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl- Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:32.5
occ:1.00
 NE C:ARG14 3.0 48.9 1.0
O B:HOH398 3.0 26.7 0.5
N C:GLU11 3.3 23.5 0.5
N C:GLU11 3.3 23.3 0.5
NH1 C:ARG14 3.3 48.4 1.0
CG C:GLU11 3.4 28.8 0.5
OE2 C:GLU11 3.5 31.5 0.5
CZ C:ARG14 3.6 50.5 1.0
CD C:GLU11 3.8 30.9 0.5
CG2 B:THR104 3.9 23.3 1.0
CA C:ILE10 3.9 21.4 1.0
CB C:GLU11 3.9 28.1 0.5
CB C:GLU11 4.0 27.8 0.5
CD C:ARG14 4.0 46.6 1.0
C C:ILE10 4.1 22.5 1.0
CA C:GLU11 4.2 25.7 0.5
CB B:THR104 4.2 23.4 1.0
CA C:GLU11 4.2 25.4 0.5
CD1 C:ILE10 4.2 22.9 1.0
O C:LEU9 4.3 19.3 1.0
O C:HOH319 4.3 37.0 1.0
CG2 C:ILE10 4.5 23.0 1.0
O C:GLU11 4.6 26.2 0.5
O C:GLU11 4.6 26.3 0.5
CA B:THR104 4.6 21.7 1.0
CB C:ARG14 4.7 37.2 1.0
CB C:ILE10 4.7 21.2 1.0
O B:HOH316 4.8 38.2 1.0
OE1 C:GLU11 4.9 34.0 0.5
N C:ILE10 4.9 19.8 1.0
C C:GLU11 4.9 25.6 0.5
C C:GLU11 4.9 25.7 0.5
NH2 C:ARG14 4.9 55.3 1.0
CG C:ARG14 4.9 42.0 1.0

Reference:

A.S.Halavaty, G.Minasov, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.75 Angstrom Resolution Crystal Structure of the Apo-Form Acyl-Carrier-Protein Synthase (Acps) (Acps; Purification Tag Off) From Staphylococcus Aureus Subsp. Aureus Col in the I4 Space Group To Be Published.
Page generated: Sat Dec 12 11:36:18 2020

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