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Chlorine in PDB 5eou: Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp

Protein crystallography data

The structure of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp, PDB code: 5eou was solved by M.Mccallum, S.Tammam, H.Robinson, M.Shah, C.Calmettes, T.Moraes, L.Burrows, L.P.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.50 / 2.40
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 131.790, 131.790, 78.993, 90.00, 90.00, 120.00
R / Rfree (%) 21.2 / 23.9

Other elements in 5eou:

The structure of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp (pdb code 5eou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp, PDB code: 5eou:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5eou

Go back to Chlorine Binding Sites List in 5eou
Chlorine binding site 1 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:94.4
occ:1.00
O A:LEU363 3.3 61.1 1.0
CB A:ALA123 3.5 58.8 1.0
O A:HOH520 3.6 59.9 1.0
CA A:ALA123 3.6 59.5 1.0
CA A:PRO365 3.8 75.0 1.0
N A:PRO365 3.8 71.2 1.0
N A:ILE124 4.0 60.5 1.0
CB A:PRO365 4.1 72.0 1.0
C A:LEU364 4.2 71.4 1.0
C A:ALA123 4.2 58.1 1.0
C A:LEU363 4.3 63.3 1.0
CD A:PRO365 4.3 70.5 1.0
O3 A:SO4405 4.3 0.0 1.0
O A:LEU364 4.3 78.6 1.0
O A:ILE124 4.5 79.8 1.0
CG A:PRO365 4.7 73.0 1.0
N A:ALA123 4.9 63.0 1.0
CA A:LEU364 4.9 66.3 1.0

Chlorine binding site 2 out of 4 in 5eou

Go back to Chlorine Binding Sites List in 5eou
Chlorine binding site 2 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:99.4
occ:1.00
NH1 B:ARG154 2.7 75.5 1.0
N B:ILE54 3.3 49.5 1.0
OD1 B:ASN150 3.6 74.6 1.0
CA B:ASN53 3.7 51.9 1.0
OD1 B:ASN53 3.7 66.2 1.0
O B:LYS52 3.9 64.0 1.0
CZ B:ARG154 4.0 71.8 1.0
C B:ASN53 4.0 51.4 1.0
CA B:ASN150 4.1 60.2 1.0
CG B:ASN150 4.1 73.9 1.0
O B:ASN150 4.1 62.2 1.0
O B:HOH512 4.2 55.4 1.0
CB B:ASN150 4.2 65.3 1.0
CG1 B:ILE54 4.2 50.9 1.0
CB B:ILE54 4.2 48.6 1.0
CB B:ASN53 4.3 58.2 1.0
CA B:ILE54 4.3 48.7 1.0
CG B:ASN53 4.4 62.0 1.0
C B:ASN150 4.6 59.3 1.0
NH2 B:ARG154 4.6 76.5 1.0
N B:ASN53 4.7 53.4 1.0
C B:LYS52 4.7 59.2 1.0
CG B:ARG154 4.7 52.7 1.0
CD1 B:ILE54 4.8 52.6 1.0
O B:ILE54 4.9 48.7 1.0
CG1 B:VAL153 4.9 69.6 1.0
CB B:VAL153 4.9 64.6 1.0
NE B:ARG154 4.9 62.7 1.0
CD B:ARG154 5.0 56.8 1.0

Chlorine binding site 3 out of 4 in 5eou

Go back to Chlorine Binding Sites List in 5eou
Chlorine binding site 3 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:69.5
occ:1.00
OG1 B:THR229 3.1 48.0 1.0
O3' B:ATP401 3.1 63.1 0.8
CB B:THR229 3.7 45.9 1.0
O2' B:ATP401 3.7 71.1 0.8
NZ B:LYS247 3.7 49.9 1.0
CA B:ARG226 3.8 44.8 1.0
C3' B:ATP401 4.0 65.7 0.8
CG2 B:THR229 4.0 47.2 1.0
CB B:ARG226 4.1 47.0 1.0
N B:ARG226 4.2 44.6 1.0
O B:GLY225 4.4 41.5 1.0
CG B:ARG226 4.4 51.2 1.0
NE B:ARG226 4.4 71.6 1.0
C2' B:ATP401 4.5 68.6 0.8
C B:GLY225 4.5 40.1 1.0
CB B:ALA202 4.5 58.3 1.0
C B:ARG226 4.9 42.3 1.0
CG2 B:THR20 5.0 71.9 1.0

Chlorine binding site 4 out of 4 in 5eou

Go back to Chlorine Binding Sites List in 5eou
Chlorine binding site 4 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:0.9
occ:1.00
CD B:ARG66 3.8 70.8 1.0
CG B:ARG66 3.9 66.3 1.0
O B:HOH554 4.2 71.7 1.0
NE B:ARG66 4.7 74.9 1.0

Reference:

M.Mccallum, S.Tammam, D.J.Little, H.Robinson, J.Koo, M.Shah, C.Calmettes, T.F.Moraes, L.L.Burrows, P.L.Howell. Piln Binding Modulates the Structure and Binding Partners of the Pseudomonas Aeruginosa Type Iva Pilus Protein Pilm. J.Biol.Chem. V. 291 11003 2016.
ISSN: ESSN 1083-351X
PubMed: 27022027
DOI: 10.1074/JBC.M116.718353
Page generated: Sat Dec 12 11:41:47 2020

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