Chlorine in PDB 4m54: The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh

The structure of The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh, PDB code: 4m54 was solved by M.J.Kobylarz, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.73 / 2.36
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.116, 63.116, 159.413, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.8

The binding sites of Chlorine atom in the The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh (pdb code 4m54). 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 The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh, PDB code: 4m54:

Chlorine binding site 1 out of 1 in the The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of the Staphyloferrin B Precursor Biosynthetic Enzyme Sbnb Bound to N-(1-Amino-1-Carboxyl-2-Ethyl)-Glutamic Acid and Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:36.7 occ:1.00 O A:ASP59 3.1 46.5 1.0 CG A:GLN50 3.3 43.4 1.0 C A:ASP59 3.3 43.6 1.0 OE1 A:GLN50 3.5 38.1 1.0 N A:ARG60 3.6 39.3 1.0 N A:GLN50 3.7 43.5 1.0 CA A:ARG60 3.8 37.2 1.0 CD A:GLN50 3.8 41.6 1.0 NZ A:LYS83 4.0 45.4 1.0 CB A:ASP59 4.0 46.6 1.0 CE A:LYS83 4.2 42.6 1.0 CA A:ASP59 4.2 44.5 1.0 CB A:GLN50 4.2 42.8 1.0 O A:HOH531 4.2 16.8 1.0 O A:LEU48 4.3 30.1 1.0 CA A:ARG49 4.3 40.8 1.0 CA A:GLN50 4.5 44.5 1.0 C A:ARG49 4.5 43.1 1.0 C A:ARG60 4.6 33.4 1.0 O A:SER82 4.9 33.9 1.0 CD A:LYS83 4.9 43.1 1.0 CB A:ARG60 5.0 39.4 1.0 NE2 A:GLN50 5.0 42.6 1.0

M.J.Kobylarz, J.C.Grigg, S.J.Takayama, D.K.Rai, D.E.Heinrichs, M.E.Murphy. Synthesis of L-2,3-Diaminopropionic Acid, A Siderophore and Antibiotic Precursor. Chem.Biol. V. 21 379 2014.
ISSN: ISSN 1074-5521
PubMed: 24485762
DOI: 10.1016/J.CHEMBIOL.2013.12.011