Chlorine in PDB 9duj: Crystal Structure of Rufo in Complex with (Nle)Rylh

The structure of Crystal Structure of Rufo in Complex with (Nle)Rylh, PDB code: 9duj was solved by K.Nolan, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 1.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.258, 77.833, 89.178, 90, 90, 90
R / Rfree (%)	16.4 / 19.1

The structure of Crystal Structure of Rufo in Complex with (Nle)Rylh also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Rufo in Complex with (Nle)Rylh (pdb code 9duj). 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 Rufo in Complex with (Nle)Rylh, PDB code: 9duj:

Chlorine binding site 1 out of 1 in the Crystal Structure of Rufo in Complex with (Nle)Rylh


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 Rufo in Complex with (Nle)Rylh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:24.6 occ:1.00 NH2 A:ARG196 3.2 27.2 1.0 ND2 A:ASN192 3.2 12.8 1.0 O A:HOH528 3.3 26.0 1.0 CB A:ASN192 3.7 11.1 1.0 O A:HOH690 3.9 28.2 1.0 CG A:ASN192 4.0 12.7 1.0 CG2 A:THR79 4.2 12.7 1.0 CA A:ALA189 4.2 14.0 1.0 CZ A:ARG196 4.3 27.5 1.0 CB A:ALA189 4.4 13.6 1.0 NE A:ARG196 4.6 24.2 1.0 O A:ALA189 4.7 12.7 1.0 O A:HOH526 4.7 33.3 1.0 O A:HOH596 5.0 24.0 1.0 C A:ALA189 5.0 12.9 1.0

K.Nolan, R.Usai, B.Li, S.Jordan, Y.Wang. Molecular Basis For Peptide Nitration By A Novel Cytochrome P450 Enzyme in Ripp Biosynthesis Acs Catalysis 10391 2025.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.5C01932