Chlorine in PDB 4tvv: Crystal Structure of Lppa From Legionella Pneumophila

The structure of Crystal Structure of Lppa From Legionella Pneumophila, PDB code: 4tvv was solved by S.Weber, C.Stirnimann, M.Wieser, R.Meier, S.Engelhardt, X.Li, G.Capitani, R.Kammerer, H.Hilbi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.26 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.650, 55.490, 131.420, 90.00, 99.61, 90.00
R / Rfree (%)	14.3 / 16.9

The binding sites of Chlorine atom in the Crystal Structure of Lppa From Legionella Pneumophila (pdb code 4tvv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Lppa From Legionella Pneumophila, PDB code: 4tvv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Lppa From Legionella Pneumophila


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 Lppa From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:25.5 occ:1.00 HD21 A:ASN65 2.4 27.2 1.0 H A:SER255 2.4 19.0 1.0 HG3 A:GLU258 2.8 24.0 1.0 HA A:VAL254 3.1 21.1 1.0 ND2 A:ASN65 3.2 22.7 1.0 N A:SER255 3.3 15.8 1.0 HB3 A:SER255 3.3 20.5 1.0 HG13 A:VAL254 3.4 21.8 1.0 HB2 A:GLU258 3.6 21.3 1.0 OG A:SER255 3.6 18.7 1.0 HD22 A:ASN65 3.6 27.2 1.0 CG A:GLU258 3.7 20.0 1.0 HG A:SER255 3.8 22.4 1.0 CB A:SER255 3.8 17.1 1.0 HB2 A:ASN65 3.9 24.6 1.0 HG2 A:GLU258 3.9 24.0 1.0 CA A:VAL254 4.0 17.6 1.0 HB3 A:ASN65 4.0 24.6 1.0 CB A:GLU258 4.1 17.7 1.0 C A:VAL254 4.1 16.7 1.0 CA A:SER255 4.2 16.1 1.0 CG1 A:VAL254 4.2 18.2 1.0 HG12 A:VAL254 4.2 21.8 1.0 CG A:ASN65 4.2 22.5 1.0 CB A:ASN65 4.3 20.5 1.0 O A:HOH898 4.3 30.3 1.0 HB3 A:GLU258 4.4 21.3 1.0 O A:LYS253 4.5 23.2 1.0 CB A:VAL254 4.6 17.5 1.0 HG22 A:VAL254 4.7 21.5 1.0 HB2 A:SER255 4.7 20.5 1.0 HA A:SER255 4.8 19.3 1.0 CD A:GLU258 4.8 23.4 1.0 O A:HOH657 4.9 29.1 1.0 HG11 A:VAL254 5.0 21.8 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Lppa From Legionella Pneumophila


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 Lppa From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:30.6 occ:1.00 H A:VAL181 2.4 19.1 1.0 O A:HOH691 2.7 32.1 1.0 HA A:THR180 2.8 22.9 1.0 HG3 A:ARG151 3.1 22.7 1.0 N A:VAL181 3.2 15.9 1.0 HE A:ARG151 3.2 20.6 1.0 HD3 A:ARG151 3.4 21.9 1.0 HZ3 A:LYS182 3.4 30.4 1.0 O A:VAL181 3.4 16.5 1.0 CA A:THR180 3.6 19.1 1.0 HB A:THR180 3.7 25.1 1.0 HE2 A:LYS182 3.7 27.2 1.0 HD3 A:LYS182 3.8 23.4 1.0 NE A:ARG151 3.8 17.2 1.0 CD A:ARG151 3.8 18.3 1.0 CG A:ARG151 3.8 18.9 1.0 HG22 A:THR180 3.9 26.2 1.0 C A:THR180 3.9 17.2 1.0 CB A:THR180 4.1 20.9 1.0 C A:VAL181 4.1 15.4 1.0 NZ A:LYS182 4.1 25.4 1.0 HB A:VAL181 4.1 19.2 1.0 CA A:VAL181 4.2 15.3 1.0 HG2 A:ARG151 4.2 22.7 1.0 CE A:LYS182 4.3 22.7 1.0 HZ1 A:LYS182 4.4 30.4 1.0 O A:SER179 4.4 22.0 1.0 CG2 A:THR180 4.5 21.8 1.0 CD A:LYS182 4.5 19.5 1.0 HG2 A:LYS182 4.6 22.5 1.0 O A:HOH554 4.6 34.8 1.0 CB A:VAL181 4.7 16.0 1.0 N A:THR180 4.8 18.2 1.0 HD2 A:ARG151 4.8 21.9 1.0 HZ2 A:LYS182 4.8 30.4 1.0 HG23 A:VAL181 4.9 21.3 1.0 HH21 A:ARG151 5.0 20.6 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Lppa From Legionella Pneumophila


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 Lppa From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:21.1 occ:1.00 HE B:ARG51 2.5 17.5 1.0 HH21 B:ARG51 2.7 19.6 1.0 O B:HOH725 2.9 29.6 1.0 HB2 B:PRO268 3.0 16.8 1.0 HD2 A:PHE269 3.0 17.4 1.0 O B:HOH625 3.1 19.0 1.0 HD2 B:LYS235 3.1 22.7 1.0 NE B:ARG51 3.3 14.6 1.0 NH2 B:ARG51 3.4 16.3 1.0 HE3 B:LYS235 3.5 27.0 1.0 HG2 B:LYS235 3.5 19.1 1.0 CD2 A:PHE269 3.5 14.5 1.0 HB2 A:PHE269 3.6 17.6 1.0 CZ B:ARG51 3.8 16.1 1.0 CD B:LYS235 3.8 18.9 1.0 CB B:PRO268 3.9 14.0 1.0 HZ2 B:LYS235 3.9 30.7 1.0 CE B:LYS235 4.0 22.5 1.0 HB3 B:PRO268 4.0 16.8 1.0 CG B:LYS235 4.1 15.9 1.0 CG A:PHE269 4.1 15.0 1.0 HH22 B:ARG51 4.1 19.6 1.0 CE2 A:PHE269 4.2 15.6 1.0 O B:PRO268 4.2 15.2 1.0 HE2 A:PHE269 4.2 18.7 1.0 HD3 B:ARG51 4.2 17.5 1.0 CB A:PHE269 4.2 14.7 1.0 O A:HOH671 4.3 21.5 1.0 HG3 B:LYS235 4.3 19.1 1.0 CD B:ARG51 4.4 14.6 1.0 HB3 A:PHE269 4.4 17.6 1.0 NZ B:LYS235 4.4 25.6 1.0 HG2 B:PRO268 4.6 17.2 1.0 HG3 B:PRO268 4.7 17.2 1.0 CG B:PRO268 4.7 14.4 1.0 HD3 B:LYS235 4.7 22.7 1.0 O B:HOH666 4.8 26.4 1.0 HZ1 B:LYS235 4.9 30.7 1.0 HG2 B:ARG51 4.9 16.9 1.0 HE2 B:LYS235 4.9 27.0 1.0 O B:HOH947 4.9 46.0 1.0 CA B:PRO268 4.9 12.9 1.0 C B:PRO268 5.0 14.2 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Lppa From Legionella Pneumophila


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 Lppa From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:29.9 occ:1.00 H B:VAL181 2.4 20.2 1.0 O B:HOH821 2.8 37.6 1.0 HA B:THR180 2.9 23.5 1.0 HE B:ARG151 3.2 22.0 1.0 O D:HOH789 3.2 40.3 1.0 HG3 B:ARG151 3.2 21.4 1.0 N B:VAL181 3.2 16.8 1.0 O B:VAL181 3.4 16.1 1.0 HD3 B:ARG151 3.4 21.8 1.0 HB B:THR180 3.6 26.2 1.0 HZ3 B:LYS182 3.6 28.9 1.0 HE2 B:LYS182 3.6 26.5 1.0 CA B:THR180 3.7 19.6 1.0 HD3 B:LYS182 3.8 23.0 1.0 NE B:ARG151 3.8 18.4 1.0 CD B:ARG151 3.9 18.1 1.0 HG22 B:THR180 3.9 27.9 1.0 CG B:ARG151 4.0 17.8 1.0 C B:THR180 4.0 17.4 1.0 CB B:THR180 4.1 21.8 1.0 C B:VAL181 4.1 15.8 1.0 O B:HOH876 4.1 49.6 1.0 HB B:VAL181 4.2 19.6 1.0 CA B:VAL181 4.2 16.6 1.0 CE B:LYS182 4.2 22.1 1.0 NZ B:LYS182 4.3 24.1 1.0 HG2 B:ARG151 4.3 21.4 1.0 HG2 B:LYS182 4.4 21.2 1.0 CD B:LYS182 4.4 19.2 1.0 HZ1 B:LYS182 4.5 28.9 1.0 CG2 B:THR180 4.5 23.3 1.0 O B:SER179 4.5 23.3 1.0 CB B:VAL181 4.8 16.3 1.0 HD2 B:ARG151 4.8 21.8 1.0 HH21 B:ARG151 4.9 20.2 1.0 N B:THR180 4.9 19.6 1.0 CZ B:ARG151 5.0 16.9 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Lppa From Legionella Pneumophila


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 Lppa From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:33.6 occ:1.00 HD21 C:ASN65 2.4 34.4 1.0 H C:SER255 2.4 27.2 1.0 HG3 C:GLU258 2.8 34.0 1.0 HA C:VAL254 3.1 28.9 1.0 ND2 C:ASN65 3.2 28.6 1.0 N C:SER255 3.2 22.7 1.0 HG13 C:VAL254 3.4 30.2 1.0 HB3 C:SER255 3.4 27.7 1.0 HB2 C:GLU258 3.5 29.6 1.0 HD22 C:ASN65 3.5 34.4 1.0 CG C:GLU258 3.6 28.4 1.0 OG C:SER255 3.7 24.6 1.0 HG2 C:GLU258 3.8 34.0 1.0 HG C:SER255 3.9 29.5 1.0 CB C:SER255 3.9 23.1 1.0 CA C:VAL254 3.9 24.1 1.0 CB C:GLU258 4.0 24.7 1.0 HB3 C:ASN65 4.1 33.8 1.0 HG12 C:VAL254 4.1 30.2 1.0 C C:VAL254 4.1 23.3 1.0 HB2 C:ASN65 4.1 33.8 1.0 CG1 C:VAL254 4.1 25.2 1.0 CA C:SER255 4.2 22.2 1.0 CG C:ASN65 4.2 29.1 1.0 HB3 C:GLU258 4.3 29.6 1.0 CB C:ASN65 4.3 28.2 1.0 O C:HOH646 4.4 35.9 1.0 O C:LYS253 4.4 28.0 1.0 CB C:VAL254 4.6 24.1 1.0 HG22 C:VAL254 4.7 28.7 1.0 O C:HOH652 4.7 37.2 1.0 HA C:SER255 4.8 26.7 1.0 HB2 C:SER255 4.8 27.7 1.0 CD C:GLU258 4.9 32.4 1.0 HG11 C:VAL254 4.9 30.2 1.0

S.Weber, C.U.Stirnimann, M.Wieser, D.Frey, R.Meier, S.Engelhardt, X.Li, G.Capitani, R.A.Kammerer, H.Hilbi. A Type IV-Translocated Legionella Cysteine Phytase Counteracts Intracellular Growth Restriction By Phytate. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25339170
DOI: 10.1074/JBC.M114.592568