Chlorine in PDB 4ntd: Crystal Structure of Hlmi

The structure of Crystal Structure of Hlmi, PDB code: 4ntd was solved by D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.350, 96.350, 133.490, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 15.9

The binding sites of Chlorine atom in the Crystal Structure of Hlmi (pdb code 4ntd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hlmi, PDB code: 4ntd:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hlmi


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 Hlmi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:54.1 occ:1.00 O A:HOH574 2.8 33.0 1.0 ND1 A:HIS165 2.9 20.9 1.0 CG1 A:GSH401 3.0 34.2 0.5 CA A:HIS165 3.4 17.3 1.0 N A:HIS165 3.4 17.6 1.0 CB1 A:GSH401 3.5 32.7 0.5 CB A:HIS165 3.7 17.9 1.0 CG A:HIS165 3.7 19.4 1.0 C A:ARG164 3.8 18.8 1.0 CE1 A:HIS165 4.0 22.1 1.0 O A:ARG164 4.0 18.9 1.0 CD2 A:LEU168 4.1 22.0 1.0 O A:GLY161 4.1 20.7 1.0 CB A:ARG164 4.2 23.9 1.0 O A:HOH939 4.3 33.5 1.0 CD1 A:GSH401 4.4 35.4 0.5 CA A:ARG164 4.6 19.7 1.0 O11 A:GSH401 4.7 38.4 0.5 CB A:LEU168 4.7 17.4 1.0 CA1 A:GSH401 4.7 27.5 0.5 C A:HIS165 4.7 16.9 1.0 N2 A:GSH401 4.8 32.9 0.5 CG2 A:VAL234 4.9 22.8 1.0 C1 A:GSH401 4.9 37.4 0.5 CD2 A:HIS165 4.9 19.9 1.0 NH1 A:ARG164 5.0 79.3 1.0

D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber. Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products Angew.Chem.Int.Ed.Engl. V. 53 2221 2014.
ISSN: ISSN 1433-7851
PubMed: 24446392
DOI: 10.1002/ANIE.201309302