Chlorine in PDB 2fu4: Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)

The structure of Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator), PDB code: 2fu4 was solved by L.Pecqueur, B.D'autreaux, J.Dupuy, Y.Nicolet, L.Jacquamet, B.Brutscher, I.Michaud-Soret, B.Bersch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.42 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	38.500, 159.270, 28.650, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.5

The structure of Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) also contains other interesting chemical elements:

Cadmium

(Cd)

8 atoms

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) (pdb code 2fu4). 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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator), PDB code: 2fu4:
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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl91 b:14.1 occ:1.00 CD A:CD84 2.6 13.8 1.0 CE1 A:HIS33 3.5 10.1 1.0 NE2 A:HIS33 3.5 9.6 1.0 CL A:CL92 3.6 41.6 1.0 NE2 A:HIS32 3.9 15.6 1.0 O A:HOH158 4.1 32.4 1.0 OE1 A:GLU81 4.1 12.6 1.0 CD2 A:HIS32 4.2 14.9 1.0 CE1 A:HIS32 4.7 16.6 1.0 ND1 A:HIS33 4.7 9.3 1.0 CD2 A:HIS33 4.9 10.0 1.0 CD A:GLU81 5.0 10.7 1.0

Chlorine binding site 2 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl92 b:41.6 occ:1.00 CD A:CD84 2.5 13.8 1.0 OE1 A:GLU81 3.2 12.6 1.0 OE2 A:GLU81 3.4 11.0 1.0 O A:HOH158 3.6 32.4 1.0 CL A:CL91 3.6 14.1 1.0 CD A:GLU81 3.6 10.7 1.0 O A:HOH171 4.1 47.6 1.0 NE2 A:HIS33 4.8 9.6 1.0 O A:HOH157 4.9 23.4 1.0 CG A:GLU81 5.0 11.2 1.0

Chlorine binding site 3 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl93 b:14.1 occ:1.00 CD A:CD85 2.6 14.3 1.0 N A:ASN72 3.4 13.5 1.0 O A:HOH124 3.5 15.8 1.0 O A:HOH185 3.6 36.9 1.0 CA A:HIS71 3.6 13.8 1.0 O A:ARG70 4.0 15.7 1.0 NE B:ARG57 4.0 22.5 1.0 O A:HOH107 4.1 24.8 1.0 C A:HIS71 4.1 14.0 1.0 ND1 A:HIS71 4.1 13.7 1.0 CB A:HIS71 4.2 13.4 1.0 O A:ASN72 4.2 13.7 1.0 CD B:ARG57 4.4 20.2 1.0 CA A:ASN72 4.5 13.8 1.0 CG A:HIS71 4.6 12.5 1.0 CB A:ASN72 4.7 14.0 1.0 CG B:ARG57 4.7 15.0 1.0 N A:HIS71 4.7 14.2 1.0 C A:ARG70 4.7 14.8 1.0 C A:ASN72 4.8 13.6 1.0 ND2 A:ASN72 4.8 18.0 1.0

Chlorine binding site 4 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl94 b:12.8 occ:1.00 CD A:CD86 2.5 13.6 1.0 OD1 A:ASP30 3.5 14.0 1.0 O A:HOH133 3.6 17.9 1.0 CL A:CL95 4.0 13.2 1.0 O A:HOH128 4.0 7.6 1.0 CB A:PRO29 4.1 11.1 1.0 O A:HOH100 4.2 15.2 1.0 C A:PRO29 4.4 10.8 1.0 O A:PRO29 4.4 10.9 1.0 N A:ASP30 4.6 10.3 1.0 CG A:ASP30 4.7 14.2 1.0 CA A:PRO29 4.8 11.3 1.0 CA A:ASP30 4.8 11.3 1.0 O A:HOH130 4.9 18.3 1.0 O A:HOH178 5.0 14.0 1.0

Chlorine binding site 5 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl95 b:13.2 occ:1.00 CD A:CD86 2.6 13.6 1.0 O A:HOH128 3.6 7.6 1.0 CL A:CL94 4.0 12.8 1.0

Chlorine binding site 6 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl96 b:24.1 occ:1.00 O A:HOH178 1.6 14.0 1.0 OD2 A:ASP30 2.4 17.1 1.0 O A:HOH128 2.6 7.6 1.0 CG A:ASP30 3.2 14.2 1.0 OD1 A:ASP30 3.2 14.0 1.0 O A:HOH133 4.0 17.9 1.0 CD A:CD86 4.2 13.6 1.0 CB A:ASP30 4.6 11.6 1.0

Chlorine binding site 7 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl97 b:14.2 occ:1.00 CD A:CD87 2.6 14.6 1.0 N A:GLY75 3.2 17.4 1.0 N B:ALA53 3.3 8.8 1.0 O B:HOH198 3.5 14.2 1.0 OE1 A:GLU74 3.5 14.0 1.0 OE2 A:GLU74 3.6 15.1 1.0 N B:LEU52 3.7 10.1 1.0 CD A:GLU74 3.7 15.1 1.0 CB B:ALA53 3.8 8.8 1.0 CB B:LEU52 3.9 9.9 1.0 CL B:CL85 3.9 14.8 1.0 CA A:GLU74 4.0 15.4 1.0 CA A:GLY75 4.0 18.2 1.0 C A:GLU74 4.1 16.2 1.0 CA B:LEU52 4.1 9.5 1.0 CA B:ALA53 4.1 8.6 1.0 C B:LEU52 4.2 9.2 1.0 C B:GLY51 4.5 11.6 1.0 CB A:GLU74 4.5 15.6 1.0 N A:GLY76 4.6 18.7 1.0 CG A:GLU74 4.8 15.7 1.0 C A:GLY75 4.8 18.7 1.0 CA B:GLY51 4.8 12.8 1.0 CG B:LEU52 4.9 9.2 1.0

Chlorine binding site 8 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl98 b:18.0 occ:1.00 O A:HOH151 2.3 23.6 1.0 O A:HOH111 2.4 14.8 1.0 ND1 A:HIS32 2.6 15.4 1.0 O A:HOH186 2.7 37.4 1.0 O A:HOH156 2.9 21.0 1.0 CE1 A:HIS32 3.2 16.6 1.0 CG A:HIS32 3.5 13.7 1.0 CB A:HIS32 4.0 11.1 1.0 NE2 A:HIS32 4.2 15.6 1.0 CA A:HIS32 4.4 10.7 1.0 O A:LEU26 4.4 10.7 1.0 CD2 A:HIS32 4.4 14.9 1.0 O A:HOH102 4.5 11.7 1.0 O A:GLN27 4.7 12.2 1.0 O A:GLU28 4.8 11.8 1.0 O A:HOH155 4.9 46.3 1.0 C A:GLN27 4.9 11.6 1.0 CA A:PRO29 5.0 11.3 1.0

Chlorine binding site 9 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl85 b:14.8 occ:1.00 CD A:CD87 2.5 14.6 1.0 OG1 B:THR54 3.3 9.5 1.0 N B:THR54 3.4 8.2 1.0 CA B:GLY51 3.5 12.8 1.0 OE2 A:GLU74 3.7 15.1 1.0 C B:GLY51 3.7 11.6 1.0 CB B:ALA53 3.7 8.8 1.0 O B:HOH183 3.7 13.7 1.0 N B:ALA53 3.8 8.8 1.0 CL A:CL97 3.9 14.2 1.0 O B:GLY51 4.0 11.5 1.0 CA B:ALA53 4.0 8.6 1.0 CB B:THR54 4.1 8.8 1.0 C B:ALA53 4.1 8.2 1.0 N B:LEU52 4.1 10.1 1.0 N B:GLY51 4.2 14.3 1.0 CA B:THR54 4.3 8.6 1.0 CD A:GLU74 4.6 15.1 1.0 O A:HOH106 4.6 13.3 1.0 OE1 A:GLU74 4.7 14.0 1.0 C B:LEU52 4.7 9.2 1.0 NH1 B:ARG57 4.8 26.6 1.0

Chlorine binding site 10 out of 12 in the Crystal Structure of the Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator)


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 Dna Binding Domain of E.Coli Fur (Ferric Uptake Regulator) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl86 b:11.2 occ:1.00 O B:HOH235 1.9 34.8 1.0 OD2 B:ASP30 2.2 17.6 1.0 CL B:CL88 2.6 25.0 1.0 CG B:ASP30 3.0 15.0 1.0 OD1 B:ASP30 3.2 15.1 1.0 O B:HOH212 3.9 17.9 1.0 CB B:ASP30 4.5 12.9 1.0 O B:HOH236 4.8 35.5 1.0

L.Pecqueur, B.D'autreaux, J.Dupuy, Y.Nicolet, L.Jacquamet, B.Brutscher, I.Michaud-Soret, B.Bersch. Structural Changes of Escherichia Coli Ferric Uptake Regulator During Metal-Dependent Dimerization and Activation Explored By uc(Nmr) and X-Ray Crystallography J.Biol.Chem. V. 281 21286 2006.
ISSN: ISSN 0021-9258
PubMed: 16690618
DOI: 10.1074/JBC.M601278200