Barium in PDB 4pay: Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.

The structure of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc., PDB code: 4pay was solved by F.A.Horenkamp, S.Mukherjee, E.Alix, C.M.Schauder, A.M.Hubber, C.R.Roy, K.M.Reinisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.01 / 2.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.460, 107.584, 177.538, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.6

The binding sites of Barium atom in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. (pdb code 4pay). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 8 binding sites of Barium where determined in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc., PDB code: 4pay:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Barium binding site 1 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba701 b:0.1 occ:1.00 HD21 A:ASN601 3.1 70.2 1.0 O A:HOH886 3.3 40.2 1.0 O A:HOH887 3.3 57.9 1.0 O A:HIS599 3.5 69.3 1.0 O A:SER593 3.6 62.5 1.0 ND2 A:ASN601 3.6 58.3 1.0 HD22 A:ASN601 3.9 70.2 1.0 HB2 A:ASP600 4.3 58.9 1.0 CG A:ASN601 4.4 61.3 1.0 O A:ASP600 4.5 49.4 1.0 OD1 A:ASN601 4.7 60.3 1.0 C A:HIS599 4.7 66.0 1.0 HE21 A:GLN558 4.7 47.5 1.0 C A:SER593 4.8 66.5 1.0 O A:ARG590 4.8 48.3 1.0 HE22 A:GLN558 4.8 47.5 1.0 O A:LEU591 4.8 47.3 1.0 C A:ASP600 4.8 59.1 1.0 HA A:ASN601 4.9 48.5 1.0 CA A:ARG594 4.9 81.2 1.0 NE2 A:GLN558 4.9 39.5 1.0 O A:ARG594 4.9 68.8 1.0

Barium binding site 2 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba702 b:0.0 occ:1.00 HD21 A:ASN253 2.8 95.7 1.0 HD22 A:ASN253 2.8 95.7 1.0 ND2 A:ASN253 3.1 79.5 1.0 O A:HOH888 3.8 45.5 1.0 HD22 A:ASN289 4.1 75.5 0.3 HG3 A:GLU287 4.1 91.7 1.0 OE1 A:GLU287 4.2 83.0 1.0 HB2 A:SER280 4.3 93.9 1.0 CD A:GLU287 4.4 89.5 1.0 CG A:ASN253 4.4 99.6 1.0 HG2 A:GLU287 4.5 91.7 1.0 CG A:GLU287 4.6 76.2 1.0 HD21 A:ASN289 4.7 75.5 0.3 ND2 A:ASN289 4.7 62.7 0.3 O A:ILE288 4.7 66.6 1.0 O A:SER280 4.8 66.0 1.0 HD13 A:ILE256 4.8 96.3 1.0 HA A:ASN253 4.9 0.4 1.0 HD11 A:ILE256 4.9 96.3 1.0 HA A:SER280 5.0 92.7 1.0

Barium binding site 3 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba703 b:43.1 occ:1.00 O A:GLN495 2.7 56.0 1.0 O A:GLY497 2.7 43.0 1.0 O A:HOH815 2.9 37.4 1.0 O A:HOH889 3.0 24.6 1.0 O A:HOH806 3.4 31.6 1.0 O A:HOH890 3.8 36.5 1.0 C A:GLN495 3.8 39.3 1.0 C A:GLY497 3.9 34.4 1.0 O A:HOH879 4.0 47.4 1.0 O A:HOH891 4.1 39.0 1.0 HA A:GLN495 4.1 34.4 1.0 OD1 A:ASN500 4.2 34.7 1.0 HA A:LYS456 4.3 45.4 1.0 N A:GLY497 4.4 33.1 1.0 HA A:THR498 4.5 40.8 1.0 H A:GLY497 4.5 40.0 1.0 CA A:GLN495 4.6 28.5 1.0 C A:GLU496 4.6 37.4 1.0 HG3 A:LYS456 4.6 57.1 1.0 HA A:GLU496 4.6 40.7 1.0 HB2 A:LYS456 4.7 41.0 1.0 CA A:GLY497 4.7 22.2 1.0 C A:THR498 4.7 39.9 1.0 OE1 A:GLN495 4.8 35.4 1.0 HB3 A:GLN495 4.8 36.2 1.0 N A:GLU496 4.8 35.7 1.0 N A:THR498 4.8 21.6 1.0 N A:SER499 4.9 34.6 1.0 CA A:THR498 4.9 33.9 1.0 CA A:GLU496 4.9 33.8 1.0 O A:THR498 5.0 37.9 1.0 O A:GLU496 5.0 41.9 1.0 HA3 A:GLY497 5.0 26.9 1.0 H A:SER499 5.0 41.8 1.0

Barium binding site 4 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba701 b:95.5 occ:1.00 OD1 B:ASP308 3.4 47.6 1.0 O A:HOH885 3.4 44.0 1.0 O A:HOH884 3.6 59.0 1.0 O A:HOH883 3.6 40.1 1.0 HZ3 A:LYS186 4.0 42.3 1.0 HZ2 A:LYS186 4.1 42.3 1.0 CG B:ASP308 4.1 53.1 1.0 O B:HOH871 4.1 37.7 1.0 OD2 B:ASP308 4.3 49.7 1.0 OD2 B:ASP311 4.4 49.0 1.0 NZ A:LYS186 4.4 35.1 1.0 HZ1 B:LYS230 4.4 62.1 1.0 HZ1 A:LYS186 4.6 42.3 1.0 OD2 A:ASP166 4.8 50.0 1.0 O A:HOH813 4.9 40.0 1.0 HA B:ASP308 4.9 42.8 1.0

Barium binding site 5 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba702 b:53.7 occ:1.00 O B:GLN495 2.6 48.3 1.0 O B:GLY497 2.9 52.5 1.0 O B:HOH872 3.0 39.3 1.0 O B:HOH873 3.1 37.6 1.0 C B:GLN495 3.8 46.5 1.0 OD1 B:ASN500 3.9 49.6 1.0 C B:GLY497 4.0 45.0 1.0 HA B:GLN495 4.0 53.1 1.0 HA B:LYS456 4.2 48.5 1.0 N B:GLY497 4.4 50.7 1.0 H B:GLY497 4.5 61.0 1.0 CA B:GLN495 4.5 44.1 1.0 OE1 B:GLN495 4.6 42.6 1.0 C B:GLU496 4.6 53.5 1.0 HB3 B:GLN495 4.7 49.0 1.0 HA B:GLU496 4.7 64.7 1.0 CA B:GLY497 4.7 46.4 1.0 N B:GLU496 4.8 49.0 1.0 HA B:THR498 4.9 48.1 1.0 HA3 B:GLY497 4.9 55.9 1.0 C B:THR498 4.9 47.0 1.0 CA B:GLU496 5.0 53.8 1.0 N B:SER499 5.0 52.8 1.0

Barium binding site 6 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba703 b:0.1 occ:1.00 H B:ASP600 3.2 56.2 1.0 O B:HOH875 3.4 44.9 1.0 OD1 B:ASN601 3.5 75.4 1.0 O B:HOH874 3.6 43.9 1.0 O B:SER593 3.8 74.9 1.0 N B:ASP600 4.0 46.7 1.0 O B:ARG594 4.1 64.5 1.0 HA B:ARG594 4.2 96.8 1.0 HB2 B:ASP600 4.2 61.1 1.0 CG B:ASN601 4.4 63.2 1.0 HD22 B:ASN601 4.5 72.9 1.0 CA B:HIS599 4.5 69.6 1.0 C B:ASP600 4.6 55.5 1.0 O B:ASP600 4.6 49.0 1.0 C B:SER593 4.7 67.5 1.0 CA B:ASP600 4.7 50.6 1.0 C B:HIS599 4.8 73.7 1.0 ND2 B:ASN601 4.8 60.6 1.0 O B:ARG590 4.8 39.1 1.0 C B:ARG594 4.9 80.4 1.0 CA B:ARG594 4.9 80.5 1.0 CB B:ASP600 5.0 50.8 1.0

Barium binding site 7 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba704 b:72.5 occ:1.00 HE1 B:TRP607 4.3 45.6 1.0 O B:SER608 4.3 45.9 1.0 C B:SER608 4.7 44.2 1.0 HD1 B:TRP607 4.8 43.9 1.0 NE1 B:TRP607 5.0 37.9 1.0

Barium binding site 8 out of 8 in the Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc.


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 8 of Crystal Structure of An N-Terminal Fragment of the Legionella Pneumophila Effector Protein Sidc. within 5.0Å range:

F.A.Horenkamp, S.Mukherjee, E.Alix, C.M.Schauder, A.M.Hubber, C.R.Roy, K.M.Reinisch. Legionella Pneumophila Subversion of Host Vesicular Transport By Sidc Effector Proteins. Traffic V. 15 488 2014.
ISSN: ESSN 1600-0854
PubMed: 24483784
DOI: 10.1111/TRA.12158