Bromine in PDB 5lwq: Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni

The structure of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni, PDB code: 5lwq was solved by E.J.Wilde, E.Blagova, A.Hughes, D.J.Raines, O.V.Moroz, J.P.Turkenburg, A.-K.Duhme-Klair, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.52 / 1.52
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.921, 62.560, 67.789, 82.21, 76.99, 76.18
R / Rfree (%)	18.5 / 22.1

The structure of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni (pdb code 5lwq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni, PDB code: 5lwq:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:86.7 occ:1.00 OD2 A:ASP39 2.9 27.7 1.0 ND2 A:ASN44 3.0 28.7 1.0 O A:VAL37 3.2 25.5 1.0 O A:GLY42 3.2 26.7 1.0 CG A:ASP39 3.4 24.9 1.0 O A:HOH520 3.4 28.8 1.0 C A:VAL37 3.5 23.7 1.0 CG1 A:VAL37 3.5 22.2 1.0 N A:ASP39 3.7 22.1 1.0 N A:ASN44 3.8 23.7 1.0 CB A:VAL37 3.9 21.3 1.0 N A:LYS38 3.9 22.4 1.0 CB A:ASN44 3.9 24.2 1.0 OD1 A:ASP39 3.9 25.1 1.0 C A:LYS38 3.9 22.0 1.0 CA A:LYS38 3.9 22.7 1.0 CG A:ASN44 4.0 26.1 1.0 C A:GLY42 4.0 26.5 1.0 CB A:ASP39 4.1 21.9 1.0 CA A:GLU43 4.2 27.1 1.0 C A:GLU43 4.2 23.5 1.0 CA A:VAL37 4.3 23.7 1.0 CA A:ASN44 4.5 25.7 1.0 N A:GLU43 4.5 26.4 1.0 O A:THR132 4.5 21.2 1.0 CD1 A:LEU133 4.5 20.5 1.0 CA A:ASP39 4.5 23.0 1.0 O A:LYS38 4.7 24.4 1.0 CA A:LEU133 4.9 16.8 1.0 O A:ASN44 5.0 27.1 1.0

Bromine binding site 2 out of 5 in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:25.3 occ:0.70 O C:HOH536 3.2 24.9 1.0 NZ A:LYS89 3.4 30.7 1.0 OD1 A:ASN90 3.5 27.1 1.0 CD C:LYS91 3.7 19.8 1.0 CE C:LYS91 3.8 20.2 1.0 C C:ASN90 3.8 22.7 1.0 CE A:LYS89 3.9 33.8 1.0 N C:LYS91 3.9 20.8 1.0 O C:ASN90 3.9 23.6 1.0 CB C:ASN90 4.1 23.4 1.0 CG C:LYS91 4.1 17.2 1.0 ND2 A:ASN90 4.1 20.1 1.0 CA C:LYS91 4.2 19.3 1.0 CG A:ASN90 4.2 21.1 1.0 NZ C:LYS91 4.3 20.9 1.0 CA C:ASN90 4.5 23.1 1.0 O C:HOH573 4.7 23.8 1.0 CB C:LYS91 4.8 19.1 1.0 N C:ASN90 4.9 22.0 1.0

Bromine binding site 3 out of 5 in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:25.5 occ:0.70 N A:ARG205 3.4 20.2 1.0 NH1 A:ARG205 3.4 31.0 1.0 CG A:ARG205 3.7 21.5 1.0 O A:GLY225 3.8 34.9 1.0 CA A:THR226 3.8 37.3 1.0 CA A:SER204 3.9 18.7 1.0 CB A:SER204 3.9 20.8 1.0 CB A:ARG205 3.9 22.6 1.0 CE2 A:PHE200 4.0 23.4 1.0 CD A:ARG205 4.1 29.1 1.0 C A:SER204 4.1 18.2 1.0 C A:GLY225 4.2 37.0 1.0 ND2 A:ASN139 4.2 26.1 1.0 CD2 A:PHE200 4.2 19.8 1.0 CA A:ARG205 4.3 21.9 1.0 CG2 A:THR226 4.3 40.8 1.0 N A:THR226 4.3 33.8 1.0 CB A:THR226 4.4 39.9 1.0 CZ A:ARG205 4.5 36.0 1.0 C A:THR226 4.7 34.3 1.0 O A:THR226 4.7 35.4 1.0 NE A:ARG205 4.7 29.6 1.0 OG A:SER204 5.0 21.5 1.0

Bromine binding site 4 out of 5 in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.6 occ:1.00 OD2 B:ASP39 3.0 29.8 1.0 ND2 B:ASN44 3.0 32.5 1.0 O B:VAL37 3.3 31.0 1.0 O B:GLY42 3.3 24.6 1.0 C B:VAL37 3.4 23.7 1.0 CG B:ASP39 3.4 26.0 0.5 O B:HOH510 3.5 30.0 1.0 CG1 B:VAL37 3.6 27.2 1.0 N B:ASN44 3.6 24.8 1.0 N B:ASP39 3.7 26.9 1.0 CA B:LYS38 3.8 28.9 1.0 N B:LYS38 3.8 24.7 1.0 CB B:VAL37 3.8 26.2 1.0 C B:LYS38 3.8 21.4 1.0 OD1 B:ASP39 3.9 27.6 1.0 CB B:ASN44 3.9 23.8 1.0 CG B:ASN44 4.0 23.2 1.0 C B:GLY42 4.0 21.8 1.0 CA B:GLU43 4.0 28.3 1.0 C B:GLU43 4.1 25.2 1.0 CB B:ASP39 4.2 27.2 1.0 CA B:VAL37 4.2 24.9 1.0 N B:GLU43 4.3 28.5 1.0 CD1 B:LEU133 4.4 24.1 1.0 CA B:ASN44 4.4 25.2 1.0 O B:THR132 4.5 27.0 1.0 CA B:ASP39 4.6 24.0 1.0 O B:LYS38 4.6 24.6 1.0 O B:GLU43 4.9 25.6 1.0 O B:ASN44 4.9 30.2 1.0 CA B:LEU133 5.0 20.6 1.0

Bromine binding site 5 out of 5 in the Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Ceue (H227L Variant) A Periplasmic Protein From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ C:Br401 b:21.3 occ:0.50 O C:HOH572 1.3 28.2 1.0 N C:GLN98 3.3 30.0 1.0 ND2 C:ASN80 3.5 35.2 1.0 N C:VAL97 3.8 23.8 1.0 CB C:GLN98 3.8 30.0 1.0 CA C:GLN98 3.9 30.0 1.0 C C:GLN98 3.9 30.0 1.0 C C:GLY96 4.0 22.9 1.0 SD B:MET23 4.0 21.9 0.2 CB C:GLN99 4.0 33.2 1.0 N C:GLN99 4.1 29.4 1.0 CA C:GLY96 4.1 24.8 1.0 CG2 C:VAL97 4.2 26.1 1.0 C C:VAL97 4.3 28.5 1.0 CG C:ASN80 4.3 33.2 1.0 OD1 C:ASN80 4.3 27.6 1.0 O C:GLN98 4.3 30.0 1.0 CA C:VAL97 4.4 26.5 1.0 O C:HOH586 4.4 46.4 1.0 CG B:MET23 4.5 24.8 0.5 O B:HOH503 4.6 33.9 1.0 O C:GLY96 4.6 23.8 1.0 CG C:GLN98 4.7 30.0 1.0 CA C:GLN99 4.8 31.5 1.0 CB C:VAL97 5.0 26.5 1.0

E.J.Wilde, A.Hughes, E.V.Blagova, O.V.Moroz, R.P.Thomas, J.P.Turkenburg, D.J.Raines, A.K.Duhme-Klair, K.S.Wilson. Interactions of the Periplasmic Binding Protein Ceue with Fe(III) N-Licam(4-) Siderophore Analogues of Varied Linker Length. Sci Rep V. 7 45941 2017.
ISSN: ESSN 2045-2322
PubMed: 28383577
DOI: 10.1038/SREP45941