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Chlorine in PDB 5oiu: Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus

Protein crystallography data

The structure of Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus, PDB code: 5oiu was solved by V.Karuppiah, J.P.Derrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.11 / 2.44
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 220.390, 107.660, 137.830, 90.00, 112.95, 90.00
R / Rfree (%) 19 / 24.6

Other elements in 5oiu:

The structure of Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms
Zinc (Zn) 6 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus (pdb code 5oiu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus, PDB code: 5oiu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5oiu

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Chlorine binding site 1 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:39.7
occ:1.00
 N A:LEU287 3.4 32.6 1.0
CB A:SER163 3.5 33.7 1.0
CA A:SER163 3.6 37.2 1.0
O A:GLY162 3.8 40.5 1.0
O A:LEU287 3.8 37.0 1.0
CA A:ARG286 3.9 34.1 1.0
CB A:ARG286 3.9 32.8 1.0
CD A:ARG286 4.0 38.0 1.0
N A:SER163 4.2 34.2 1.0
C A:ARG286 4.2 35.6 1.0
C A:GLY162 4.2 35.8 1.0
CA A:LEU287 4.3 30.8 1.0
O A:THR161 4.5 34.1 1.0
CB A:LEU287 4.5 30.5 1.0
C A:LEU287 4.5 34.2 1.0
O A:HOH646 4.6 44.9 1.0
CG A:ARG397 4.7 51.5 1.0
CG A:ARG286 4.7 31.2 1.0
OG A:SER163 4.7 46.9 1.0
CG A:PRO160 4.8 39.4 1.0
C A:SER163 4.9 33.1 1.0
CG A:LEU287 4.9 29.1 1.0

Chlorine binding site 2 out of 12 in 5oiu

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Chlorine binding site 2 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:53.3
occ:1.00
 N F:GLN201 3.0 36.2 1.0
C A:THR111 3.3 47.5 1.0
O A:THR111 3.5 49.2 1.0
CA F:THR200 3.6 38.8 1.0
CA A:THR111 3.7 46.0 1.0
N A:VAL112 3.7 48.6 1.0
CB F:GLN201 3.8 39.8 1.0
C F:THR200 3.8 42.0 1.0
CA F:GLN201 3.9 43.6 1.0
O A:PRO110 4.0 46.0 1.0
N A:THR111 4.0 43.4 1.0
CA A:VAL112 4.1 53.0 1.0
C A:PRO110 4.1 45.1 1.0
CG2 F:THR200 4.2 37.7 1.0
O F:GLN199 4.2 46.9 1.0
O F:GLN201 4.3 35.6 1.0
CB F:THR200 4.4 42.0 1.0
CG2 A:VAL112 4.5 52.4 1.0
C F:GLN201 4.6 38.8 1.0
N F:THR200 4.7 40.2 1.0
CB A:PRO110 4.7 39.9 1.0
OG1 F:THR200 4.7 40.7 1.0
C F:GLN199 4.9 43.3 1.0
CB A:VAL112 5.0 50.0 1.0

Chlorine binding site 3 out of 12 in 5oiu

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Chlorine binding site 3 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:44.3
occ:1.00
 N B:LEU287 3.2 34.0 1.0
CB B:SER163 3.3 34.0 1.0
CA B:SER163 3.6 35.1 1.0
O B:GLY162 3.7 40.2 1.0
CA B:ARG286 3.8 32.9 1.0
O B:LEU287 3.9 41.0 1.0
CD B:ARG286 3.9 31.4 1.0
CB B:ARG286 4.0 30.4 1.0
C B:ARG286 4.0 36.7 1.0
N B:SER163 4.1 34.5 1.0
C B:GLY162 4.2 34.5 1.0
CA B:LEU287 4.2 30.3 1.0
CB B:LEU287 4.3 29.7 1.0
OG B:SER163 4.3 39.2 1.0
C B:LEU287 4.5 36.1 1.0
O B:THR161 4.5 39.8 1.0
CG B:PRO160 4.6 32.8 1.0
CG B:ARG286 4.6 33.2 1.0
CG B:LEU287 4.8 29.3 1.0
CD B:ARG397 4.8 48.5 1.0
C B:SER163 4.9 30.2 1.0
NE B:ARG397 4.9 61.2 1.0

Chlorine binding site 4 out of 12 in 5oiu

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Chlorine binding site 4 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:49.3
occ:1.00
 C B:THR111 3.2 46.4 1.0
N E:GLN201 3.3 42.6 1.0
O B:THR111 3.3 48.2 1.0
N B:VAL112 3.6 47.5 1.0
CA B:THR111 3.7 46.8 1.0
CA E:THR200 3.8 42.8 1.0
CA B:VAL112 3.9 51.5 1.0
CG2 E:THR200 4.0 32.0 1.0
O B:PRO110 4.0 50.0 1.0
N B:THR111 4.0 46.3 1.0
CB E:GLN201 4.0 43.7 1.0
C E:THR200 4.0 41.2 1.0
C B:PRO110 4.1 47.0 1.0
CA E:GLN201 4.2 43.7 1.0
CG1 B:VAL112 4.3 52.8 1.0
O E:GLN201 4.3 41.9 1.0
O E:GLN199 4.3 46.1 1.0
CB E:THR200 4.4 44.2 1.0
CB B:PRO110 4.6 42.5 1.0
C E:GLN201 4.7 48.8 1.0
OG1 E:THR200 4.8 42.8 1.0
CB B:VAL112 4.8 48.1 1.0
N E:THR200 4.9 38.9 1.0
CA B:PRO110 5.0 42.4 1.0

Chlorine binding site 5 out of 12 in 5oiu

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Chlorine binding site 5 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:45.1
occ:1.00
 C C:THR111 3.0 43.6 1.0
O C:THR111 3.0 49.6 1.0
N B:GLN201 3.4 41.3 1.0
N C:VAL112 3.4 39.4 1.0
CA C:THR111 3.5 41.5 1.0
CA C:VAL112 3.9 46.9 1.0
N C:THR111 3.9 37.8 1.0
CA B:THR200 3.9 36.7 1.0
CB B:GLN201 4.1 38.8 1.0
C C:PRO110 4.2 43.3 1.0
C B:THR200 4.2 39.4 1.0
O C:PRO110 4.2 41.5 1.0
O B:GLN199 4.3 35.7 1.0
CA B:GLN201 4.3 36.6 1.0
CG2 C:VAL112 4.3 37.1 1.0
CG2 B:THR200 4.5 32.9 1.0
O B:GLN201 4.6 37.6 1.0
CB B:THR200 4.7 37.9 1.0
CB C:PRO110 4.7 45.9 1.0
CB C:VAL112 4.8 43.5 1.0
N B:THR200 4.9 39.2 1.0
OG1 B:THR200 4.9 42.3 1.0
CB C:THR111 5.0 40.5 1.0
C C:VAL112 5.0 45.1 1.0
C B:GLN201 5.0 32.5 1.0

Chlorine binding site 6 out of 12 in 5oiu

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Chlorine binding site 6 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:50.6
occ:1.00
 N C:SER60 3.7 50.1 1.0
CA C:SER60 3.7 49.5 1.0
NE2 C:GLN47 3.8 50.2 1.0
C C:TYR59 3.9 48.9 1.0
C C:SER60 3.9 49.7 1.0
CG2 C:THR61 3.9 47.9 1.0
O C:TYR59 4.0 52.2 1.0
CB C:PRO58 4.0 34.5 1.0
N C:THR61 4.3 46.3 1.0
C C:PRO58 4.3 42.1 1.0
O C:PRO58 4.3 40.4 1.0
O C:SER60 4.3 48.9 1.0
N C:TYR59 4.6 36.7 1.0
CA C:PRO58 4.7 38.9 1.0
CD C:GLN47 4.8 56.6 1.0
CA C:TYR59 4.8 44.4 1.0
OE1 C:GLN47 4.9 60.6 1.0
CG C:PRO58 4.9 30.4 1.0

Chlorine binding site 7 out of 12 in 5oiu

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Chlorine binding site 7 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl506

b:25.3
occ:1.00
 N C:LEU287 3.4 34.9 1.0
CB C:SER163 3.4 43.0 1.0
CA C:SER163 3.8 40.4 1.0
CD C:ARG286 3.9 32.6 1.0
CA C:ARG286 3.9 38.6 1.0
CD C:ARG397 4.1 36.3 1.0
O C:LEU287 4.1 34.9 1.0
C C:ARG286 4.2 37.2 1.0
CB C:ARG286 4.2 36.7 1.0
CG C:PRO160 4.3 42.3 1.0
CA C:LEU287 4.4 35.0 1.0
CB C:LEU287 4.5 35.5 1.0
N C:SER163 4.5 40.2 1.0
CG C:ARG286 4.7 34.5 1.0
C C:LEU287 4.7 38.5 1.0
O C:GLY162 4.7 40.7 1.0
OG C:SER163 4.7 45.4 1.0
C C:GLY162 4.9 41.9 1.0
C C:SER163 4.9 39.4 1.0
O C:THR161 4.9 47.4 1.0
NE C:ARG286 5.0 41.8 1.0
NE C:ARG397 5.0 38.8 1.0

Chlorine binding site 8 out of 12 in 5oiu

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Chlorine binding site 8 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:42.9
occ:1.00
 C D:THR111 3.1 42.6 1.0
O D:THR111 3.3 48.1 1.0
N A:GLN201 3.4 34.0 1.0
N D:VAL112 3.4 39.8 1.0
CA D:THR111 3.6 42.6 1.0
CA A:THR200 3.9 35.1 1.0
CA D:VAL112 3.9 49.0 1.0
O D:PRO110 3.9 43.3 1.0
N D:THR111 4.0 36.6 1.0
C D:PRO110 4.0 43.0 1.0
CB A:GLN201 4.1 39.9 1.0
C A:THR200 4.1 38.4 1.0
CA A:GLN201 4.3 37.1 1.0
O A:GLN199 4.3 41.4 1.0
CG1 D:VAL112 4.3 35.1 1.0
CG2 A:THR200 4.3 33.2 1.0
O A:GLN201 4.4 40.1 1.0
CB D:PRO110 4.6 44.8 1.0
CB A:THR200 4.6 39.4 1.0
CB D:VAL112 4.8 43.5 1.0
N A:THR200 4.9 35.7 1.0
C A:GLN201 4.9 39.5 1.0
CA D:PRO110 4.9 40.6 1.0
OG1 A:THR200 4.9 41.4 1.0
CB D:THR111 5.0 36.9 1.0

Chlorine binding site 9 out of 12 in 5oiu

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Chlorine binding site 9 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl505

b:47.1
occ:1.00
 N D:SER60 3.9 40.4 1.0
CB D:PRO58 3.9 36.1 1.0
NE2 D:GLN47 3.9 48.9 1.0
C D:TYR59 4.0 45.2 1.0
O D:TYR59 4.0 45.6 1.0
CA D:SER60 4.1 43.6 1.0
CG2 D:THR61 4.2 48.4 1.0
C D:PRO58 4.2 37.9 1.0
C D:SER60 4.3 45.5 1.0
O D:PRO58 4.3 36.7 1.0
N D:TYR59 4.4 41.4 1.0
O D:SER60 4.5 51.8 1.0
CA D:PRO58 4.6 35.4 1.0
CG D:PRO58 4.7 35.6 1.0
N D:THR61 4.7 46.1 1.0
CA D:TYR59 4.8 48.1 1.0
CD D:GLN47 5.0 58.7 1.0

Chlorine binding site 10 out of 12 in 5oiu

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Chlorine binding site 10 out of 12 in the Crystal Structure of Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus


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 Pilf Type IV Pilus Assembly Atpase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl506

b:21.7
occ:1.00
 N D:LEU287 3.3 38.8 1.0
CB D:SER163 3.8 37.1 1.0
CA D:ARG286 3.8 36.7 1.0
CA D:SER163 3.9 38.0 1.0
CB D:ARG286 3.9 42.1 1.0
O D:LEU287 4.0 34.8 1.0
CD D:ARG286 4.0 37.6 1.0
C D:ARG286 4.1 37.9 1.0
CA D:LEU287 4.2 33.9 1.0
CB D:LEU287 4.3 33.9 1.0
CD D:ARG397 4.3 41.0 1.0
NE D:ARG397 4.3 46.0 1.0
CG D:PRO160 4.5 41.5 1.0
O D:GLY162 4.6 39.7 1.0
C D:LEU287 4.6 40.4 1.0
N D:SER163 4.6 37.1 1.0
CG D:ARG286 4.6 40.7 1.0
C D:GLY162 4.9 32.7 1.0
CG D:LEU287 4.9 38.3 1.0
C D:SER163 5.0 37.9 1.0

Reference:

R.Collins, V.Karuppiah, C.A.Siebert, R.Dajani, A.Thistlethwaite, J.P.Derrick. Structural Cycle of the Thermus Thermophilus Pilf Atpase: the Powering of Type Iva Pilus Assembly. Sci Rep V. 8 14022 2018.
ISSN: ESSN 2045-2322
PubMed: 30232337
DOI: 10.1038/S41598-018-32218-3
Page generated: Fri Jul 26 14:30:36 2024

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