Chlorine in PDB 6n8e: Crystal Structure of Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa

The structure of Crystal Structure of Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa, PDB code: 6n8e was solved by D.F.Kreitler, T.A.Wencewicz, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.325, 154.345, 183.905, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24

The binding sites of Chlorine atom in the Crystal Structure of Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa (pdb code 6n8e). 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 Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa, PDB code: 6n8e:

Chlorine binding site 1 out of 1 in the Crystal Structure of Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa


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 Holo-OBIF1, A Five Domain Nonribosomal Peptide Synthetase From Burkholderia Diffusa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1404 b:76.2 occ:1.00 HH22 A:ARG1362 2.1 92.4 1.0 HH21 A:ARG1362 2.4 92.4 1.0 NH2 A:ARG1362 2.6 77.0 1.0 HG21 A:VAL837 3.7 70.4 1.0 CZ A:ARG1362 3.9 75.0 1.0 HD23 A:LEU834 3.9 76.6 1.0 HD21 A:LEU834 4.1 76.6 1.0 HH12 A:ARG1362 4.3 88.3 1.0 CD2 A:LEU834 4.5 63.8 1.0 NH1 A:ARG1362 4.5 73.6 1.0 CG2 A:VAL837 4.6 58.7 1.0 HE A:ARG1362 4.6 92.2 1.0 NE A:ARG1362 4.8 76.8 1.0 HG22 A:VAL837 4.8 70.4 1.0 HG23 A:VAL837 4.9 70.4 1.0

D.F.Kreitler, E.M.Gemmell, J.E.Schaffer, T.A.Wencewicz, A.M.Gulick. The Structural Basis of N-Acyl-Alpha-Amino-Beta-Lactone Formation Catalyzed By A Nonribosomal Peptide Synthetase. Nat Commun V. 10 3432 2019.
ISSN: ESSN 2041-1723
PubMed: 31366889
DOI: 10.1038/S41467-019-11383-7