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Chlorine in PDB 5ts2: Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A

Enzymatic activity of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A

All present enzymatic activity of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A:
2.7.7.3;

Protein crystallography data

The structure of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A, PDB code: 5ts2 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.87 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 98.380, 101.350, 105.710, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 24.4

Other elements in 5ts2:

The structure of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A (pdb code 5ts2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A, PDB code: 5ts2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5ts2

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Chlorine binding site 1 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:61.6
occ:1.00
 OG1 A:THR129 3.1 52.2 1.0
OG A:SER127 3.4 67.6 1.0
N A:THR129 3.5 51.2 1.0
CB A:THR129 3.8 40.1 1.0
N A:SER128 3.9 59.2 1.0
O A:HOH332 4.1 46.8 1.0
CB A:SER128 4.2 61.9 1.0
CA A:THR129 4.3 51.5 1.0
CB A:SER127 4.4 59.1 1.0
CA A:SER128 4.4 51.7 1.0
C A:SER128 4.5 51.9 1.0
C A:SER127 4.5 69.3 1.0
CA A:SER127 4.6 66.0 1.0
O21 A:COD201 4.6 92.4 0.8

Chlorine binding site 2 out of 11 in 5ts2

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Chlorine binding site 2 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:63.0
occ:1.00
 OG B:SER127 3.2 65.4 1.0
OG1 B:THR129 3.3 51.7 1.0
O B:HOH319 3.7 58.2 1.0
N B:THR129 3.7 42.8 1.0
N B:SER128 3.9 45.7 1.0
CB B:THR129 3.9 46.2 1.0
CB B:SER127 4.1 66.8 1.0
CA B:SER127 4.3 58.0 1.0
C B:SER127 4.4 65.6 1.0
CB B:SER128 4.4 49.1 1.0
CA B:THR129 4.5 48.4 1.0
CA B:SER128 4.5 40.2 1.0
C B:SER128 4.6 39.2 1.0
O21 B:COD201 4.7 80.7 1.0

Chlorine binding site 3 out of 11 in 5ts2

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Chlorine binding site 3 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:64.5
occ:1.00
 N B:ASP111 3.1 44.8 1.0
C B:ALA109 3.3 40.5 1.0
N B:PRO110 3.4 43.2 1.0
CA B:ALA109 3.4 40.9 1.0
CB B:ASP111 3.5 52.2 1.0
CD B:PRO110 3.6 43.8 1.0
CA B:ASP111 3.8 52.0 1.0
CB B:ALA109 3.8 40.2 1.0
CE B:LYS78 3.8 64.3 1.0
O B:ALA109 3.9 52.4 1.0
OD2 B:ASP111 4.0 67.3 1.0
CG B:ASP111 4.1 64.7 1.0
C B:PRO110 4.1 49.9 1.0
N B:VAL112 4.3 45.2 1.0
C B:ASP111 4.3 51.1 1.0
CA B:PRO110 4.3 45.7 1.0
NZ B:LYS78 4.4 67.3 1.0
CG2 B:VAL112 4.4 41.9 1.0
N B:ALA109 4.8 42.1 1.0
CD B:LYS78 4.8 56.1 1.0
CG B:PRO110 4.8 50.2 1.0
CB B:PRO110 4.9 44.7 1.0

Chlorine binding site 4 out of 11 in 5ts2

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Chlorine binding site 4 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:67.5
occ:1.00
 OG1 C:THR129 3.4 52.3 1.0
OG C:SER127 3.5 62.6 1.0
O C:HOH325 3.5 47.6 1.0
N C:THR129 3.8 50.5 1.0
N C:SER128 3.9 52.7 1.0
CB C:THR129 4.2 45.1 1.0
CB C:SER128 4.2 59.0 1.0
CB C:SER127 4.4 51.0 1.0
CA C:SER128 4.5 47.2 1.0
CA C:SER127 4.5 53.1 1.0
C C:SER127 4.5 53.6 1.0
O21 C:COD201 4.6 92.6 0.8
CA C:THR129 4.7 52.8 1.0
C C:SER128 4.7 49.6 1.0

Chlorine binding site 5 out of 11 in 5ts2

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Chlorine binding site 5 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:56.8
occ:1.00
 N C:ASP111 3.1 42.5 1.0
N C:PRO110 3.3 42.0 1.0
C C:ALA109 3.4 40.7 1.0
CD C:PRO110 3.5 38.6 1.0
CA C:ALA109 3.5 34.3 1.0
CB C:ASP111 3.6 43.8 1.0
CA C:ASP111 3.7 46.0 1.0
O C:ALA109 3.9 41.0 1.0
CB C:ALA109 3.9 43.6 1.0
NZ C:LYS78 3.9 64.4 1.0
C C:PRO110 4.1 45.3 1.0
OD2 C:ASP111 4.1 68.6 1.0
N C:VAL112 4.2 44.2 1.0
CG C:ASP111 4.2 57.9 1.0
C C:ASP111 4.2 49.0 1.0
CA C:PRO110 4.2 39.0 1.0
CG2 C:VAL112 4.4 35.8 1.0
CD C:LYS78 4.6 72.4 1.0
CG C:PRO110 4.7 54.7 1.0
CB C:PRO110 4.8 43.9 1.0
N C:ALA109 4.9 34.4 1.0
CE C:LYS78 4.9 70.6 1.0

Chlorine binding site 6 out of 11 in 5ts2

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Chlorine binding site 6 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:66.8
occ:1.00
 CE1 C:HIS0 3.2 52.9 1.0
O F:HOH314 3.3 57.9 1.0
N C:HIS-4 3.5 40.3 1.0
CA C:HIS-5 3.7 41.9 1.0
O C:HIS-4 3.7 36.0 1.0
CB C:HIS-5 3.7 39.8 1.0
NE2 C:HIS0 3.8 52.6 1.0
O F:SER25 3.9 33.6 1.0
CD2 C:HIS-4 4.1 41.1 1.0
C C:HIS-5 4.1 42.4 1.0
CG F:PRO62 4.2 48.5 1.0
ND1 C:HIS0 4.3 55.8 1.0
NE2 C:HIS-4 4.3 47.4 1.0
CA F:ARG26 4.4 44.4 1.0
C C:HIS-4 4.5 42.1 1.0
CG C:HIS-4 4.5 48.0 1.0
CA C:HIS-4 4.6 40.9 1.0
O C:ALA-6 4.7 44.9 1.0
C F:SER25 4.7 37.0 1.0
CE1 C:HIS-4 4.8 54.3 1.0
OG F:SER25 4.9 38.7 1.0
N C:HIS-5 4.9 45.2 1.0
ND1 C:HIS-4 4.9 39.7 1.0
ND2 F:ASN63 4.9 42.4 1.0
O F:ARG26 4.9 45.4 1.0
N F:ARG26 5.0 37.0 1.0

Chlorine binding site 7 out of 11 in 5ts2

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Chlorine binding site 7 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


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 A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:65.7
occ:1.00
 OG1 D:THR129 3.3 49.6 1.0
OG D:SER127 3.6 47.3 1.0
N D:THR129 3.7 35.9 1.0
O D:HOH326 3.8 56.8 1.0
N D:SER128 3.9 45.2 1.0
CB D:THR129 4.0 42.8 1.0
CB D:SER128 4.1 43.0 1.0
CA D:SER128 4.4 36.4 1.0
O21 D:COD201 4.5 72.4 0.9
CA D:THR129 4.5 44.8 1.0
CB D:SER127 4.5 51.6 1.0
C D:SER128 4.5 36.5 1.0
C D:SER127 4.6 46.9 1.0
CA D:SER127 4.6 50.6 1.0

Chlorine binding site 8 out of 11 in 5ts2

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Chlorine binding site 8 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:61.4
occ:1.00
 N D:ASP111 3.1 43.6 1.0
N D:PRO110 3.2 47.4 1.0
C D:ALA109 3.2 45.6 1.0
CD D:PRO110 3.3 38.5 1.0
CA D:ALA109 3.3 41.3 1.0
CB D:ASP111 3.6 51.9 1.0
CB D:ALA109 3.8 39.4 1.0
CA D:ASP111 3.8 48.8 1.0
O D:ALA109 3.9 46.1 1.0
CE D:LYS78 4.0 64.4 1.0
C D:PRO110 4.0 46.4 1.0
OD2 D:ASP111 4.0 61.9 1.0
CA D:PRO110 4.1 42.5 1.0
CG D:ASP111 4.1 57.3 1.0
N D:VAL112 4.3 43.8 1.0
C D:ASP111 4.4 45.6 1.0
CG2 D:VAL112 4.4 36.8 1.0
CG D:PRO110 4.5 46.3 1.0
CB D:PRO110 4.6 52.0 1.0
N D:ALA109 4.7 31.8 1.0
NZ D:LYS78 4.8 60.0 1.0
O D:LEU108 4.9 42.3 1.0

Chlorine binding site 9 out of 11 in 5ts2

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Chlorine binding site 9 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:62.3
occ:1.00
 N E:ASP111 2.8 53.0 1.0
N E:PRO110 3.2 51.4 1.0
C E:ALA109 3.3 48.6 1.0
CD E:PRO110 3.4 47.2 1.0
CB E:ASP111 3.4 57.2 1.0
CA E:ASP111 3.5 53.2 1.0
CA E:ALA109 3.6 43.2 1.0
C E:PRO110 3.8 56.2 1.0
O E:ALA109 3.8 52.8 1.0
CG E:ASP111 4.0 72.2 1.0
N E:VAL112 4.0 50.7 1.0
C E:ASP111 4.0 58.3 1.0
CA E:PRO110 4.0 52.6 1.0
OD2 E:ASP111 4.0 79.6 1.0
CB E:ALA109 4.1 42.1 1.0
CG2 E:VAL112 4.1 41.1 1.0
CG E:PRO110 4.5 53.2 1.0
CB E:PRO110 4.5 46.2 1.0
OD1 E:ASP111 4.8 75.5 1.0
N E:ALA109 4.9 41.7 1.0
O E:ASP111 4.9 63.7 1.0
O E:PRO110 4.9 62.3 1.0
CB E:VAL112 5.0 48.5 1.0

Chlorine binding site 10 out of 11 in 5ts2

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Chlorine binding site 10 out of 11 in the Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl202

b:80.6
occ:1.00
 OG F:SER127 3.5 63.9 1.0
OG1 F:THR129 3.6 54.4 1.0
O F:HOH304 3.6 52.5 1.0
N F:THR129 4.0 38.5 1.0
N F:SER128 4.0 38.5 1.0
O21 F:COD201 4.2 1.0 0.9
CB F:THR129 4.3 38.5 1.0
CB F:SER127 4.4 67.6 1.0
CB F:SER128 4.4 53.5 1.0
CA F:SER127 4.5 59.4 1.0
C F:SER127 4.6 54.6 1.0
CA F:SER128 4.7 35.4 1.0
CA F:THR129 4.8 42.5 1.0
C F:SER128 4.9 44.2 1.0

Reference:

T.E.Edwards, D.R.Davies, J.W.Fairman, D.Lorimer, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of A Phosphopantetheine Adenylyltransferase (Coad, Ppat) From Pseudomonas Aeruginosa Bound to Dephospho Coenzyme A To Be Published.
Page generated: Fri Jul 26 17:41:13 2024

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