Chlorine in PDB 4lxu: Dtdp-FUC3N and 5-N-Formyl-Thf

The structure of Dtdp-FUC3N and 5-N-Formyl-Thf, PDB code: 4lxu was solved by J.B.Thoden, M.-F.Goneau, M.Gilbert, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.534, 64.884, 134.458, 90.00, 110.67, 90.00
R / Rfree (%)	18 / 21.1

The binding sites of Chlorine atom in the Dtdp-FUC3N and 5-N-Formyl-Thf (pdb code 4lxu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dtdp-FUC3N and 5-N-Formyl-Thf, PDB code: 4lxu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dtdp-FUC3N and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dtdp-FUC3N and 5-N-Formyl-Thf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:24.3 occ:1.00 N A:GLN70 3.1 14.9 1.0 OE1 A:GLN70 3.3 28.6 1.0 O A:HOH724 3.6 45.5 1.0 O A:LYS88 3.6 16.8 1.0 CA A:SER89 3.7 12.8 1.0 CG A:LYS88 3.8 28.1 1.0 C A:LYS88 3.8 14.6 1.0 CA A:GLU69 3.8 17.7 1.0 N A:SER89 3.8 12.1 1.0 CG A:GLN70 3.9 18.7 1.0 CA A:GLN70 3.9 16.7 1.0 C A:GLU69 3.9 17.6 1.0 CD A:GLN70 4.0 22.1 1.0 CB A:GLU69 4.1 23.6 1.0 CG A:GLU69 4.3 28.4 1.0 CB A:SER89 4.3 14.1 1.0 CB A:LYS88 4.4 18.4 1.0 CB A:GLN70 4.5 17.6 1.0 CD A:LYS88 4.6 30.4 1.0 CA A:LYS88 4.7 14.2 1.0 OG A:SER89 4.8 14.3 1.0 C A:SER89 4.9 12.2 1.0

Chlorine binding site 2 out of 2 in the Dtdp-FUC3N and 5-N-Formyl-Thf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dtdp-FUC3N and 5-N-Formyl-Thf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:23.8 occ:1.00 NZ A:LYS9 3.1 12.2 1.0 O A:HOH806 3.1 35.3 1.0 O A:HOH524 3.1 23.1 1.0 ND2 A:ASN35 3.2 10.1 1.0 OD1 A:ASN37 3.3 21.3 1.0 ND2 A:ASN37 3.6 32.2 1.0 CG A:ASN37 3.6 28.4 1.0 CE A:LYS9 3.6 10.5 1.0 O A:HOH749 3.7 33.9 1.0 CD A:LYS9 3.7 9.0 1.0 CB A:ASN35 3.9 10.9 1.0 CG A:ASN35 4.0 11.2 1.0 C6Q A:T3F303 4.0 12.4 1.0 CB A:ASP79 4.2 12.9 1.0 O A:HOH580 4.4 23.0 1.0 OD1 A:ASP79 4.5 18.0 1.0 O A:HOH537 4.7 26.5 1.0 CG A:ASP79 4.7 14.8 1.0 O A:HOH615 4.8 35.0 1.0 CB A:ASN37 4.9 19.6 1.0 CG A:LYS9 4.9 9.9 1.0 O A:HOH505 4.9 23.0 1.0

J.B.Thoden, M.F.Goneau, M.Gilbert, H.M.Holden. Structure of A Sugar N-Formyltransferase From Campylobacter Jejuni. Biochemistry V. 52 6114 2013.
ISSN: ISSN 0006-2960
PubMed: 23898784
DOI: 10.1021/BI4009006