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Chlorine in PDB 4iip: Legionella Pneumophila Effector

Protein crystallography data

The structure of Legionella Pneumophila Effector, PDB code: 4iip was solved by I.Tascon, Y.Chen, M.R.Neunuebel, A.L.Rojas, M.P.Machner, A.Hierro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.63 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.532, 71.422, 88.185, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 19.3

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Legionella Pneumophila Effector (pdb code 4iip). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Legionella Pneumophila Effector, PDB code: 4iip:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 4iip

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Chlorine binding site 1 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:30.1
occ:1.00
 N A:LEU166 3.2 12.6 1.0
CA A:ALA164 3.4 17.3 1.0
N A:PRO165 3.4 17.5 1.0
C A:ALA164 3.4 17.6 1.0
CD A:PRO165 3.4 20.0 1.0
CB A:LEU166 3.7 13.4 1.0
CA A:LEU166 3.9 14.6 1.0
CG A:LEU166 4.0 12.9 1.0
CB A:ALA119 4.0 16.3 1.0
CG A:PRO165 4.1 20.9 1.0
O A:HOH674 4.1 24.8 1.0
CB A:ALA164 4.1 18.7 1.0
O A:ALA164 4.2 16.5 1.0
C A:PRO165 4.2 16.6 1.0
CA A:PRO165 4.3 17.4 1.0
N A:ALA167 4.4 15.1 1.0
O A:HIS163 4.4 20.7 1.0
C A:LEU166 4.5 15.0 1.0
N A:ALA164 4.6 16.9 1.0
CD1 A:LEU166 4.6 13.2 1.0
CB A:PRO165 4.8 19.8 1.0
C A:HIS163 4.9 19.2 1.0

Chlorine binding site 2 out of 15 in 4iip

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Chlorine binding site 2 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:61.9
occ:1.00
 N A:SER53 2.9 29.5 1.0
NE2 A:GLN52 3.2 55.8 1.0
CA A:GLN52 3.3 34.7 1.0
O A:SER53 3.5 27.1 1.0
CB A:GLN52 3.5 38.5 1.0
C A:GLN52 3.5 30.7 1.0
OG A:SER53 3.8 24.5 0.6
CD A:GLN52 3.9 53.6 1.0
CA A:SER53 3.9 29.2 0.5
CA A:SER53 4.0 27.3 0.6
C A:SER53 4.1 28.9 1.0
CB A:SER53 4.3 31.0 0.5
CG A:GLN52 4.3 46.2 1.0
CB A:SER53 4.5 27.3 0.6
O A:GLY51 4.5 39.4 1.0
N A:GLN52 4.6 37.4 1.0
OE1 A:GLN52 4.6 65.3 1.0
O A:GLN52 4.8 27.0 1.0
OG A:SER53 4.8 33.6 0.5
O A:HOH694 4.9 45.5 1.0

Chlorine binding site 3 out of 15 in 4iip

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Chlorine binding site 3 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:53.9
occ:1.00
 CB A:MET37 3.1 74.8 1.0
CE A:MET37 3.4 81.9 1.0
CD2 A:LEU129 3.7 18.5 0.5
CG A:LEU129 3.7 18.1 0.5
CB A:SER39 4.0 30.9 1.0
O A:HOH624 4.0 44.6 1.0
O A:LEU129 4.0 18.7 1.0
CA A:PRO130 4.0 17.7 1.0
N A:SER39 4.1 31.0 1.0
N A:ARG38 4.1 43.3 1.0
C A:LEU129 4.1 17.6 1.0
CG A:MET37 4.1 82.2 1.0
CA A:MET37 4.1 69.7 1.0
OG A:SER39 4.1 30.6 1.0
N A:PRO130 4.2 16.6 1.0
O A:HOH519 4.2 17.6 1.0
CB A:LEU129 4.3 17.9 0.5
CG A:PRO130 4.4 17.0 1.0
C A:MET37 4.5 57.0 1.0
CB A:LEU129 4.5 17.3 0.5
CB A:PRO130 4.6 18.9 1.0
CA A:SER39 4.6 29.2 1.0
SD A:MET37 4.6 85.2 1.0
CD A:PRO130 4.7 18.6 1.0
CD1 A:LEU129 4.9 18.3 0.5
CA A:LEU129 4.9 17.3 0.5
CA A:LEU129 5.0 17.0 0.5

Chlorine binding site 4 out of 15 in 4iip

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Chlorine binding site 4 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:64.1
occ:1.00
 O A:HOH628 2.8 40.9 1.0
O A:PRO287 3.7 25.9 1.0
C A:PRO287 3.8 26.1 1.0
N A:GLY288 3.8 25.4 1.0
CA A:GLY288 3.9 24.9 1.0
CG A:PRO287 4.2 28.6 1.0
CB A:PRO287 4.2 28.0 1.0
O A:HOH597 4.5 37.7 1.0
CA A:PRO287 4.6 26.0 1.0
O A:HOH562 4.7 26.1 1.0

Chlorine binding site 5 out of 15 in 4iip

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Chlorine binding site 5 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:74.0
occ:1.00
 OD2 A:ASP138 2.8 19.9 1.0
O A:HOH599 3.2 34.6 1.0
C3 A:GOL402 3.5 38.3 1.0
C1 A:GOL402 3.6 45.9 1.0
CG A:ASP138 3.6 21.0 1.0
OD1 A:ASP138 3.7 21.0 1.0
CB A:ASN134 3.7 21.1 1.0
O A:HOH549 4.0 29.1 1.0
ND2 A:ASN134 4.1 25.6 1.0
CG A:ASN134 4.1 25.3 1.0
C2 A:GOL402 4.1 44.5 1.0
O A:HOH515 4.2 20.5 1.0
O1 A:GOL402 4.5 42.5 1.0
O A:ASN134 4.5 16.6 1.0
O A:HOH513 4.6 16.4 1.0
O3 A:GOL402 4.7 28.2 1.0
OD1 A:ASN134 4.8 25.6 1.0
CA A:ASN134 4.8 17.7 1.0
C A:ASN134 4.8 16.4 1.0
O1 A:GOL401 5.0 46.3 1.0

Chlorine binding site 6 out of 15 in 4iip

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Chlorine binding site 6 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:50.0
occ:1.00
 O A:HOH674 2.9 24.8 1.0
O A:HOH627 3.1 38.2 1.0
ND2 A:ASN126 3.6 24.1 1.0
CE2 A:TYR127 3.6 20.0 1.0
CA A:PHE123 3.6 14.2 1.0
N A:PHE123 3.7 14.0 1.0
CD2 A:TYR127 3.7 17.6 1.0
C A:SER122 3.8 16.1 1.0
O A:SER122 3.8 17.3 1.0
CB A:ASN126 4.1 18.4 1.0
CB A:SER122 4.2 17.5 1.0
CB A:PHE123 4.3 12.8 1.0
CG A:ASN126 4.3 23.5 1.0
CD1 A:PHE123 4.4 12.1 1.0
CB A:ALA164 4.5 18.7 1.0
O A:HIS163 4.5 20.7 1.0
CA A:SER122 4.7 16.1 1.0
O A:HOH678 4.8 33.9 1.0
C A:PHE123 4.8 13.9 1.0
CG A:PHE123 4.8 13.4 1.0
CZ A:TYR127 4.9 22.9 1.0
O A:ALA119 4.9 15.0 1.0

Chlorine binding site 7 out of 15 in 4iip

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Chlorine binding site 7 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:40.2
occ:1.00
 O A:HOH693 2.7 33.9 1.0
O A:HOH667 3.5 28.2 1.0
O A:TYR157 3.5 16.3 1.0
OG A:SER161 3.5 22.0 0.5
C A:TYR157 3.7 14.6 1.0
N A:SER158 3.9 16.9 1.0
CB A:TYR157 3.9 14.1 1.0
O A:HOH506 3.9 13.1 1.0
CA A:SER158 4.0 16.4 1.0
CB A:SER161 4.1 19.3 0.5
CB A:SER225 4.1 29.9 1.0
CB A:SER161 4.2 21.4 0.5
CD1 A:ILE228 4.3 23.8 1.0
CA A:TYR157 4.5 12.9 1.0
O A:HOH631 4.5 35.0 1.0
O A:HOH726 4.5 52.0 1.0
OG A:SER225 4.6 35.4 1.0
CB A:SER158 4.7 21.4 1.0
OG A:SER161 4.7 18.5 0.5
O A:SER225 4.8 28.9 1.0
CG A:TYR157 4.9 15.2 1.0

Chlorine binding site 8 out of 15 in 4iip

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Chlorine binding site 8 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:61.7
occ:1.00
 O A:HOH648 2.5 44.2 1.0
O A:HOH565 2.8 27.9 1.0
O A:HOH669 3.1 42.8 1.0
O A:HOH557 3.5 29.5 1.0
O A:HOH532 3.5 28.8 1.0
CB A:CYS209 3.9 17.4 1.0
O A:GLN206 4.0 18.5 1.0
N A:CYS209 4.0 14.3 1.0
O A:LEU207 4.1 16.2 1.0
CG A:GLN206 4.2 18.8 1.0
SG A:CYS209 4.3 24.7 1.0
CB A:GLN206 4.3 17.7 1.0
C A:LEU207 4.4 16.0 1.0
O A:HOH671 4.4 44.2 1.0
OD1 A:ASN284 4.4 21.8 1.0
C A:GLN206 4.4 20.0 1.0
CA A:CYS209 4.5 15.6 1.0
C A:VAL208 4.6 14.4 1.0
OG A:SER236 4.6 25.4 1.0
N A:VAL208 4.7 13.6 1.0
CA A:VAL208 4.8 14.0 1.0
OE1 A:GLU262 4.8 29.2 0.5
N A:LEU207 5.0 16.0 1.0
CA A:LEU207 5.0 16.1 1.0
ND2 A:ASN284 5.0 20.4 1.0

Chlorine binding site 9 out of 15 in 4iip

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Chlorine binding site 9 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:49.1
occ:1.00
 N A:GLN338 3.1 24.8 1.0
CB A:ASP337 3.6 28.2 1.0
O A:HOH592 3.7 37.1 1.0
CB A:GLN338 3.7 29.4 1.0
CA A:ASP337 3.8 25.0 1.0
C A:ASP337 3.9 24.0 1.0
CG A:PRO244 4.0 22.1 1.0
CA A:GLN338 4.0 26.1 1.0
CG A:ASP337 4.7 29.9 1.0
CB A:PRO244 4.8 21.6 1.0

Chlorine binding site 10 out of 15 in 4iip

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Chlorine binding site 10 out of 15 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:56.2
occ:1.00
 N A:GLU181 2.8 30.7 1.0
O A:HOH591 3.2 39.0 1.0
CA A:GLU181 3.3 39.6 1.0
N A:ASP180 3.4 33.8 1.0
C A:LYS179 3.5 30.7 1.0
N A:LYS179 3.6 26.1 1.0
CA A:LYS179 3.7 28.6 1.0
C A:ASP180 3.8 30.9 1.0
C A:GLN178 3.9 26.5 1.0
O A:LYS179 4.0 28.2 1.0
CA A:ASP180 4.0 35.6 1.0
CB A:GLN178 4.2 26.6 1.0
C A:GLU181 4.3 36.9 1.0
CG A:GLU181 4.3 53.8 1.0
O A:GLN178 4.3 27.4 1.0
N A:GLN182 4.4 28.7 1.0
CB A:GLU181 4.4 49.2 1.0
CA A:GLN178 4.6 24.3 1.0
O A:GLN182 4.7 21.6 1.0
O A:ASP180 4.9 34.3 1.0

Reference:

Y.Chen, I.Tascon, M.R.Neunuebel, C.Pallara, J.Brady, L.N.Kinch, J.Fernandez-Recio, A.L.Rojas, M.P.Machner, A.Hierro. Structural Basis For RAB1 De-Ampylation By the Legionella Pneumophila Effector Sidd Plos Pathog. V. 9 03382 2013.
ISSN: ISSN 1553-7366
PubMed: 23696742
DOI: 10.1371/JOURNAL.PPAT.1003382
Page generated: Sat Dec 12 10:45:52 2020

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