Chlorine in PDB 8t3p: Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase)

The structure of Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase), PDB code: 8t3p was solved by Q.Wang, I.I.Mathews, C.Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.72 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.153, 52.353, 141.561, 90, 93.6, 90
R / Rfree (%)	18.2 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase) (pdb code 8t3p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase), PDB code: 8t3p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase)


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 MONC1 (A Flavin-Dependent Monooxygenase) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:27.7 occ:1.00 OG A:SER298 3.0 14.1 1.0 O A:HOH1064 3.1 30.3 1.0 O A:HOH840 3.1 30.7 1.0 O A:HOH857 3.2 24.7 1.0 CB A:SER298 3.4 14.5 1.0 CA A:GLN52 3.5 13.0 1.0 N A:GLN52 3.6 14.0 1.0 CB A:GLN52 3.7 17.3 1.0 O A:HOH886 4.0 21.9 1.0 C A:PRO51 4.0 19.2 1.0 C8M A:FAD501 4.0 21.8 1.0 CG A:PRO51 4.2 18.1 1.0 CA A:SER298 4.2 13.8 1.0 O A:PRO51 4.3 16.1 1.0 CB A:PRO51 4.4 20.6 1.0 OG A:SER300 4.4 18.2 1.0 CD2 A:HIS55 4.6 14.7 1.0 NE2 A:HIS55 4.6 13.2 1.0 CB A:SER300 4.7 16.1 1.0 O A:GLY297 4.7 17.6 1.0 CA A:PRO51 4.8 18.8 1.0 OE1 A:GLN52 4.8 14.8 1.0 C A:GLN52 4.9 14.7 1.0 C7M A:FAD501 4.9 17.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of MONC1 (A Flavin-Dependent Monooxygenase) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:57.1 occ:1.00 O B:HOH745 2.9 29.6 1.0 OG B:SER298 3.1 56.0 1.0 CA B:GLN52 3.4 42.2 1.0 CB B:SER298 3.4 60.1 1.0 CB B:GLN52 3.4 43.6 1.0 N B:GLN52 3.5 42.6 1.0 C B:PRO51 3.8 43.8 1.0 CG B:PRO51 4.0 43.7 1.0 C8M B:FAD501 4.1 43.9 1.0 O B:PRO51 4.2 44.5 1.0 CB B:PRO51 4.2 44.8 1.0 CA B:SER298 4.5 60.9 1.0 CB B:SER300 4.5 49.0 1.0 CD2 B:HIS55 4.5 57.4 1.0 CA B:PRO51 4.6 44.3 1.0 OG B:SER300 4.6 53.1 1.0 NE2 B:HIS55 4.7 58.3 1.0 OE1 B:GLN52 4.7 42.5 1.0 C B:GLN52 4.8 43.4 1.0 CG B:GLN52 4.9 40.0 1.0

Q.Wang, N.Liu, Y.Deng, Y.Guan, H.Xiao, T.A.Nitka, H.Yang, A.Yadav, L.Vukovic, I.I.Mathews, X.Chen, C.Y.Kim. Triepoxide Formation By A Flavin-Dependent Monooxygenase in Monensin Biosynthesis. Nat Commun V. 14 6273 2023.
ISSN: ESSN 2041-1723
PubMed: 37805629
DOI: 10.1038/S41467-023-41889-0