Chlorine in PDB 3u33: Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)

The structure of Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2), PDB code: 3u33 was solved by C.Wong, M.Jost, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.25 / 2.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	179.720, 179.720, 204.237, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 22.9

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) (pdb code 3u33). 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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2), PDB code: 3u33:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl542 b:42.6 occ:1.00 N A:ARG71 3.2 35.1 1.0 N A:TYR72 3.3 31.4 1.0 NE D:ARG256 3.5 34.5 1.0 NH2 D:ARG256 3.7 37.4 1.0 O A:TYR72 3.7 35.9 1.0 CA A:ARG71 3.9 34.9 1.0 CB A:ARG71 4.0 28.2 1.0 C A:LEU70 4.0 36.5 1.0 CZ D:ARG256 4.0 35.2 1.0 CA A:LEU70 4.1 34.7 1.0 C A:ARG71 4.1 34.0 1.0 CA A:TYR72 4.2 35.9 1.0 O A:LEU69 4.2 33.2 1.0 CB A:TYR72 4.3 32.9 1.0 C A:TYR72 4.4 38.1 1.0 CD D:ARG256 4.6 35.6 1.0 CG D:ARG256 4.6 35.2 1.0 CD1 A:TYR72 4.6 38.9 1.0 NE A:ARG71 4.7 35.6 1.0 NH1 A:ARG71 4.7 40.1 1.0 CZ A:ARG71 4.9 38.0 1.0 CG A:ARG71 4.9 28.1 1.0 C A:LEU69 5.0 35.0 1.0

Chlorine binding site 2 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl542 b:44.6 occ:1.00 N B:ARG71 3.1 37.7 1.0 N B:TYR72 3.4 36.3 1.0 NE C:ARG256 3.5 41.6 1.0 O B:LEU69 3.8 37.3 1.0 CD C:ARG256 3.8 42.2 1.0 C B:LEU70 3.9 38.6 1.0 CA B:LEU70 3.9 35.9 1.0 CA B:ARG71 3.9 36.8 1.0 O B:TYR72 3.9 45.5 1.0 CB B:ARG71 4.0 35.3 1.0 C B:ARG71 4.1 37.6 1.0 CA B:TYR72 4.3 39.2 1.0 CZ C:ARG256 4.4 43.6 1.0 CB B:TYR72 4.5 36.9 1.0 C B:TYR72 4.6 42.3 1.0 C B:LEU69 4.6 37.8 1.0 NE B:ARG71 4.7 37.1 1.0 NH2 C:ARG256 4.7 52.1 1.0 CD1 B:TYR72 4.7 40.1 1.0 NH1 B:ARG71 4.7 40.9 1.0 N B:LEU70 4.7 38.4 1.0 CG C:ARG256 4.7 41.6 1.0 CG B:ARG71 4.8 36.0 1.0 CZ B:ARG71 4.9 40.2 1.0 CB B:LEU70 4.9 38.2 1.0 O B:LEU70 4.9 42.4 1.0

Chlorine binding site 3 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl542 b:44.8 occ:1.00 N C:ARG71 3.4 36.3 1.0 NE B:ARG256 3.6 35.0 1.0 N C:TYR72 3.6 32.6 1.0 NH2 B:ARG256 3.8 37.1 1.0 O C:TYR72 4.0 35.5 1.0 CB C:ARG71 4.1 28.9 1.0 O C:LEU69 4.1 33.9 1.0 CZ B:ARG256 4.1 35.1 1.0 CA C:ARG71 4.1 34.0 1.0 C C:LEU70 4.2 39.5 1.0 CA C:LEU70 4.2 34.8 1.0 C C:ARG71 4.4 35.5 1.0 NH1 C:ARG71 4.5 42.5 1.0 CA C:TYR72 4.5 36.4 1.0 CG B:ARG256 4.5 35.6 1.0 CD B:ARG256 4.6 34.9 1.0 NE C:ARG71 4.6 36.0 1.0 CB C:TYR72 4.6 34.4 1.0 C C:TYR72 4.7 38.5 1.0 CZ C:ARG71 4.7 39.8 1.0 CD1 C:TYR72 4.8 38.7 1.0 CG C:ARG71 4.9 30.4 1.0 C C:LEU69 5.0 34.6 1.0

Chlorine binding site 4 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl542 b:39.3 occ:1.00 N D:ARG71 3.2 37.6 1.0 NE A:ARG256 3.4 40.6 1.0 N D:TYR72 3.4 35.4 1.0 CD A:ARG256 3.7 41.5 1.0 O D:TYR72 3.8 46.6 1.0 C D:LEU70 3.9 37.1 1.0 CA D:ARG71 3.9 35.8 1.0 CA D:LEU70 4.0 33.5 1.0 O D:LEU69 4.0 38.4 1.0 CB D:ARG71 4.0 33.2 1.0 C D:ARG71 4.1 35.6 1.0 CA D:TYR72 4.3 38.2 1.0 CZ A:ARG256 4.3 42.5 1.0 CB D:TYR72 4.4 34.8 1.0 C D:TYR72 4.5 42.5 1.0 CG A:ARG256 4.6 40.0 1.0 NH2 A:ARG256 4.6 52.2 1.0 CD1 D:TYR72 4.6 41.5 1.0 NE D:ARG71 4.8 36.5 1.0 C D:LEU69 4.8 38.3 1.0 NH1 D:ARG71 4.8 38.9 1.0 N D:LEU70 4.9 38.2 1.0 CG D:ARG71 4.9 33.6 1.0 O D:LEU70 4.9 42.8 1.0 CB D:LEU70 4.9 37.7 1.0 CZ D:ARG71 5.0 39.8 1.0

Chlorine binding site 5 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl542 b:54.1 occ:1.00 N E:ARG71 3.0 35.9 1.0 N E:TYR72 3.4 34.7 1.0 CA E:ARG71 3.8 35.0 1.0 NE H:ARG256 3.8 35.6 1.0 O E:TYR72 3.8 34.9 1.0 C E:LEU70 3.9 37.0 1.0 CA E:LEU70 3.9 34.1 1.0 CB E:ARG71 3.9 28.0 1.0 O E:LEU69 3.9 31.5 1.0 NH2 H:ARG256 3.9 36.3 1.0 C E:ARG71 4.1 35.3 1.0 CZ H:ARG256 4.3 35.4 1.0 CA E:TYR72 4.3 36.6 1.0 C E:TYR72 4.5 38.0 1.0 CB E:TYR72 4.5 34.1 1.0 NE E:ARG71 4.6 36.9 1.0 NH1 E:ARG71 4.6 41.3 1.0 C E:LEU69 4.7 34.5 1.0 CG E:ARG71 4.7 29.2 1.0 CD1 E:TYR72 4.8 38.6 1.0 N E:LEU70 4.8 34.8 1.0 CZ E:ARG71 4.8 39.7 1.0 CD H:ARG256 4.8 35.0 1.0 CG H:ARG256 4.9 35.2 1.0 CB E:LEU70 4.9 37.7 1.0 O E:LEU70 5.0 41.0 1.0

Chlorine binding site 6 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl542 b:65.3 occ:1.00 N F:ARG71 3.1 39.1 1.0 N F:TYR72 3.3 35.9 1.0 NE G:ARG256 3.4 40.5 1.0 CD G:ARG256 3.7 41.6 1.0 CB F:ARG71 3.7 35.4 1.0 CA F:ARG71 3.7 38.1 1.0 C F:LEU70 3.9 37.7 1.0 O F:HOH561 4.0 28.6 1.0 O F:LEU69 4.0 37.3 1.0 O F:TYR72 4.0 47.4 1.0 C F:ARG71 4.0 36.7 1.0 CA F:LEU70 4.0 36.2 1.0 CA F:TYR72 4.3 38.7 1.0 CZ G:ARG256 4.4 42.8 1.0 CB F:TYR72 4.4 36.8 1.0 NE F:ARG71 4.4 38.6 1.0 CD1 F:TYR72 4.4 40.8 1.0 NH1 F:ARG71 4.6 41.8 1.0 CG F:ARG71 4.6 35.2 1.0 C F:TYR72 4.6 43.4 1.0 CG G:ARG256 4.7 40.2 1.0 CZ F:ARG71 4.7 40.3 1.0 NH2 G:ARG256 4.7 51.8 1.0 C F:LEU69 4.8 37.9 1.0 N F:LEU70 4.9 39.6 1.0 CG F:TYR72 4.9 40.3 1.0 O F:LEU70 4.9 42.0 1.0

Chlorine binding site 7 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl542 b:62.6 occ:1.00 N G:ARG71 3.4 36.8 1.0 NE F:ARG256 3.6 35.5 1.0 N G:TYR72 3.7 33.2 1.0 NH2 F:ARG256 3.8 37.9 1.0 O G:LEU69 4.0 33.2 1.0 CB G:ARG71 4.1 29.0 1.0 O G:TYR72 4.2 37.6 1.0 CZ F:ARG256 4.2 35.4 1.0 CA G:ARG71 4.2 34.0 1.0 CA G:LEU70 4.2 34.9 1.0 C G:LEU70 4.3 38.8 1.0 NH1 G:ARG71 4.4 41.9 1.0 C G:ARG71 4.5 35.3 1.0 NE G:ARG71 4.5 36.9 1.0 CG F:ARG256 4.6 34.9 1.0 CD F:ARG256 4.6 34.5 1.0 CA G:TYR72 4.6 35.9 1.0 CZ G:ARG71 4.7 39.6 1.0 CB G:TYR72 4.7 33.3 1.0 C G:TYR72 4.8 38.9 1.0 CD1 G:TYR72 4.9 39.5 1.0 C G:LEU69 4.9 34.8 1.0 CG G:ARG71 4.9 29.5 1.0

Chlorine binding site 8 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl542 b:53.8 occ:1.00 N H:ARG71 3.1 36.2 1.0 N H:TYR72 3.5 37.1 1.0 NE E:ARG256 3.5 41.2 1.0 O H:LEU69 3.7 38.4 1.0 C H:LEU70 3.9 37.5 1.0 CD E:ARG256 3.9 42.4 1.0 CA H:LEU70 3.9 35.5 1.0 CA H:ARG71 3.9 36.8 1.0 CB H:ARG71 3.9 35.5 1.0 O H:TYR72 4.0 45.0 1.0 C H:ARG71 4.2 36.6 1.0 CA H:TYR72 4.4 39.5 1.0 CZ E:ARG256 4.5 42.6 1.0 C H:LEU69 4.6 37.7 1.0 NE H:ARG71 4.6 36.3 1.0 CB H:TYR72 4.6 36.5 1.0 C H:TYR72 4.6 41.2 1.0 N H:LEU70 4.7 39.4 1.0 NH1 H:ARG71 4.7 39.4 1.0 NH2 E:ARG256 4.8 51.5 1.0 CG E:ARG256 4.8 39.9 1.0 CG H:ARG71 4.8 35.0 1.0 CD1 H:TYR72 4.8 40.6 1.0 CZ H:ARG71 4.9 39.6 1.0 CB H:LEU70 4.9 37.5 1.0 O H:LEU70 4.9 42.8 1.0

Chlorine binding site 9 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl542 b:46.7 occ:1.00 N I:ARG71 3.1 35.8 1.0 N I:TYR72 3.4 35.0 1.0 NH2 L:ARG256 3.5 36.0 1.0 CD L:ARG256 3.7 34.1 1.0 O I:TYR72 3.8 35.9 1.0 CA I:ARG71 3.9 33.6 1.0 CA I:LEU70 3.9 34.4 1.0 O I:LEU69 3.9 32.5 1.0 C I:LEU70 3.9 37.7 1.0 CB I:ARG71 4.0 28.0 1.0 O L:HOH567 4.2 40.5 1.0 C I:ARG71 4.2 35.2 1.0 CZ L:ARG256 4.3 35.1 1.0 NE L:ARG256 4.3 35.1 1.0 CA I:TYR72 4.4 35.9 1.0 C I:TYR72 4.6 37.9 1.0 CB I:TYR72 4.6 32.7 1.0 NE I:ARG71 4.6 35.9 1.0 NH1 I:ARG71 4.7 42.2 1.0 C I:LEU69 4.8 34.2 1.0 CD1 I:TYR72 4.8 39.1 1.0 N I:LEU70 4.8 33.6 1.0 CG I:ARG71 4.8 29.3 1.0 CG L:ARG256 4.8 36.2 1.0 CZ I:ARG71 4.9 39.5 1.0 CB I:LEU70 4.9 37.1 1.0

Chlorine binding site 10 out of 12 in the Crystal Structure of the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2)


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 the E. Coli Adaptive Response Protein Aidb in the Space Group P3(2) within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl542 b:61.1 occ:1.00 N J:ARG71 2.9 39.1 1.0 N J:TYR72 3.4 36.7 1.0 NE K:ARG256 3.6 40.8 1.0 O J:LEU69 3.6 39.1 1.0 CA J:LEU70 3.7 36.8 1.0 C J:LEU70 3.7 38.6 1.0 CA J:ARG71 3.8 38.2 1.0 O J:TYR72 3.8 45.8 1.0 CD K:ARG256 3.9 42.4 1.0 CB J:ARG71 3.9 35.9 1.0 C J:ARG71 4.1 36.5 1.0 CA J:TYR72 4.4 38.8 1.0 C J:LEU69 4.4 38.7 1.0 N J:LEU70 4.5 39.5 1.0 CZ K:ARG256 4.5 43.3 1.0 C J:TYR72 4.6 42.6 1.0 CB J:TYR72 4.7 37.0 1.0 NE J:ARG71 4.7 36.5 1.0 CB J:LEU70 4.7 38.3 1.0 CG J:ARG71 4.7 33.9 1.0 O J:LEU70 4.7 41.7 1.0 CG K:ARG256 4.8 40.9 1.0 NH2 K:ARG256 4.8 51.6 1.0 CD1 J:TYR72 4.9 41.6 1.0 NH1 J:ARG71 4.9 41.3 1.0 CD2 J:LEU70 4.9 34.5 1.0 CZ J:ARG71 5.0 40.0 1.0

M.J.Hamill, M.Jost, C.Wong, S.J.Elliott, C.L.Drennan. Flavin-Induced Oligomerization in Escherichia Coli Adaptive Response Protein Aidb. Biochemistry V. 50 10159 2011.
ISSN: ISSN 0006-2960
PubMed: 22004173
DOI: 10.1021/BI201340T