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Chlorine in PDB 4tzh: Structure of Leptospira Interrogans Lrr Protein LIC12234

Protein crystallography data

The structure of Structure of Leptospira Interrogans Lrr Protein LIC12234, PDB code: 4tzh was solved by W.Shepard, F.A.Saul, A.Haouz, M.Picardeau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.23 / 1.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.450, 65.560, 59.940, 90.00, 116.86, 90.00
R / Rfree (%) 16.9 / 19.4

Other elements in 4tzh:

The structure of Structure of Leptospira Interrogans Lrr Protein LIC12234 also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Leptospira Interrogans Lrr Protein LIC12234 (pdb code 4tzh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Leptospira Interrogans Lrr Protein LIC12234, PDB code: 4tzh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4tzh

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Chlorine binding site 1 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:29.0
occ:0.85
ZN A:ZN301 2.2 14.2 0.8
O A:HOH564 2.7 60.7 1.0
OG A:SER50 2.9 17.9 1.0
OD2 A:ASP94 3.2 15.2 1.0
OE1 B:GLU212 3.2 16.6 1.0
ND1 A:HIS71 3.3 15.0 1.0
O B:HOH686 3.6 24.5 1.0
CB A:HIS71 3.6 14.2 1.0
CB A:ARG73 3.8 15.8 1.0
CG A:HIS71 3.8 15.3 1.0
CB A:SER50 3.9 17.4 1.0
O B:ILE213 4.1 26.8 1.0
CD A:ARG73 4.1 17.8 1.0
OD1 A:ASP48 4.1 20.6 1.0
NE1 B:TRP188 4.2 17.2 1.0
CE1 A:HIS71 4.3 16.1 1.0
CD B:GLU212 4.3 15.6 1.0
CG A:ASP94 4.4 14.8 1.0
OD2 A:ASP48 4.4 27.1 1.0
CG A:ASP48 4.5 24.8 1.0
CG A:ARG73 4.6 16.1 1.0
OE2 B:GLU212 4.7 16.1 1.0
CA A:HIS71 4.8 13.3 1.0
N A:ARG73 4.8 13.6 1.0
O B:HOH681 4.9 30.5 1.0
NH1 A:ARG51 4.9 39.0 0.5
CD2 A:HIS71 4.9 17.4 1.0
CA A:ARG73 4.9 13.4 1.0
C B:ILE213 5.0 26.2 1.0

Chlorine binding site 2 out of 6 in 4tzh

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Chlorine binding site 2 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:23.2
occ:1.00
O B:HOH657 3.0 30.4 1.0
OG1 B:THR210 3.2 20.5 1.0
NE2 A:HIS71 3.2 17.4 1.0
OG A:SER69 3.3 19.0 1.0
NH1 B:ARG201 3.4 25.0 1.0
NH2 B:ARG201 3.4 24.6 1.0
N B:ILE211 3.5 15.9 1.0
CA B:THR210 3.8 15.7 1.0
O B:ILE211 3.8 18.8 1.0
CZ B:ARG201 3.9 29.2 1.0
CB B:THR210 4.0 18.2 1.0
CE1 A:HIS71 4.0 16.1 1.0
CB A:SER69 4.0 17.1 1.0
C B:THR210 4.2 16.5 1.0
CD1 A:ILE46 4.3 20.5 1.0
CD2 A:HIS71 4.4 17.4 1.0
CG2 A:ILE46 4.5 17.7 1.0
O B:ILE209 4.5 20.4 1.0
CA B:ILE211 4.6 16.9 1.0
C B:ILE211 4.6 18.1 1.0
CD2 A:TYR92 4.7 16.5 1.0
O A:HOH569 4.9 19.2 1.0
O B:HOH652 4.9 21.8 1.0
CB B:ILE211 4.9 20.2 1.0
N B:THR210 5.0 15.7 1.0

Chlorine binding site 3 out of 6 in 4tzh

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Chlorine binding site 3 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:39.9
occ:1.00
O A:HOH628 2.9 32.0 0.8
OG1 A:THR210 2.9 22.3 1.0
OG B:SER69 3.0 23.2 1.0
NE2 B:HIS71 3.0 20.2 1.0
CB A:THR210 3.7 22.5 1.0
O A:HOH628 3.7 35.7 0.2
CA A:THR210 3.8 20.0 1.0
CE1 B:HIS71 3.8 19.1 1.0
CB B:SER69 3.8 20.5 1.0
N A:ILE211 3.9 21.4 1.0
NH2 A:ARG201 4.0 45.2 1.0
NH1 A:ARG201 4.0 52.1 1.0
CD2 B:HIS71 4.2 20.8 1.0
O A:ILE211 4.2 23.0 1.0
C A:THR210 4.3 20.3 1.0
O B:HOH677 4.4 22.8 1.0
CD2 B:TYR92 4.5 20.6 1.0
CZ A:ARG201 4.5 66.2 1.0
O A:ILE209 4.6 24.2 1.0
O A:HOH594 4.6 22.9 1.0
CG2 B:ILE46 4.6 24.3 1.0
CD1 B:ILE46 4.6 31.1 1.0
O B:HOH691 4.8 41.8 1.0
C A:ILE211 4.9 21.5 1.0
CA A:ILE211 4.9 20.3 1.0
N A:THR210 5.0 20.6 1.0
CG B:TYR92 5.0 18.6 1.0

Chlorine binding site 4 out of 6 in 4tzh

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Chlorine binding site 4 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:27.5
occ:0.85
ZN A:ZN309 2.2 16.3 0.8
O A:HOH633 2.7 17.0 0.2
OG B:SER50 2.9 17.7 0.5
OD2 B:ASP94 3.2 17.9 1.0
OE1 A:GLU212 3.3 18.2 1.0
ND1 B:HIS71 3.5 17.8 1.0
CB B:ARG73 3.7 18.5 1.0
O B:HOH627 3.7 41.7 1.0
CB B:SER50 3.8 18.9 0.5
CB B:HIS71 3.8 16.7 1.0
CB B:SER50 3.8 23.0 0.5
O A:HOH633 3.8 27.1 0.8
CD B:ARG73 4.0 21.4 1.0
CG B:HIS71 4.0 18.1 1.0
OG B:SER50 4.0 36.3 0.5
NE1 A:TRP188 4.2 19.8 1.0
O A:ILE213 4.2 34.1 1.0
OD1 B:ASP48 4.3 25.0 1.0
CG B:ASP94 4.4 17.1 1.0
CD A:GLU212 4.4 19.2 1.0
CE1 B:HIS71 4.5 19.1 1.0
CG B:ARG73 4.5 19.8 1.0
OD2 B:ASP48 4.7 32.4 1.0
N B:ARG73 4.7 16.4 1.0
CG B:ASP48 4.7 27.1 1.0
OE2 A:GLU212 4.8 20.0 1.0
CA B:ARG73 4.8 17.4 1.0
CA B:HIS71 4.9 15.4 1.0

Chlorine binding site 5 out of 6 in 4tzh

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Chlorine binding site 5 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:77.3
occ:0.50
ZN B:ZN406 2.7 46.2 0.5
OE2 B:GLU132 3.2 67.1 1.0
OE1 B:GLU132 3.2 39.7 1.0
CL B:CL408 3.5 66.3 0.5
CD B:GLU132 3.6 57.5 1.0
O B:HOH685 4.8 32.9 1.0

Chlorine binding site 6 out of 6 in 4tzh

Go back to Chlorine Binding Sites List in 4tzh
Chlorine binding site 6 out of 6 in the Structure of Leptospira Interrogans Lrr Protein LIC12234


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Leptospira Interrogans Lrr Protein LIC12234 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:66.3
occ:0.50
ZN B:ZN406 2.5 46.2 0.5
OE1 B:GLU132 3.2 39.7 1.0
OE1 B:GLN155 3.3 37.9 1.0
OE2 B:GLU132 3.3 67.1 1.0
CD B:GLU132 3.4 57.5 1.0
CL B:CL407 3.5 77.3 0.5
O B:HOH550 3.6 34.4 1.0
O B:GLY131 3.8 28.4 1.0
CD B:GLN155 3.9 42.3 1.0
O B:HOH596 4.0 49.4 1.0
CB B:GLN155 4.1 26.0 1.0
CG B:GLN155 4.3 28.3 1.0
CA B:GLU132 4.5 23.6 1.0
CG B:GLU132 4.6 30.9 1.0
C B:GLY131 4.7 28.0 1.0
NE2 B:GLN155 4.8 40.8 1.0
N B:GLU132 5.0 23.1 1.0

Reference:

I.Miras, F.Saul, M.Nowakowski, P.Weber, A.Haouz, W.Shepard, M.Picardeau. Structural Characterization of A Novel Subfamily of Leucine-Rich Repeat Proteins From the Human Pathogen Leptospira Interrogans. Acta Crystallogr.,Sect.D V. 71 1351 2015.
ISSN: ESSN 1399-0047
PubMed: 26057675
DOI: 10.1107/S139900471500704X
Page generated: Sat Dec 12 11:14:10 2020

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