Chlorine in PDB 5uao: Crystal Structure of Mibh, A Lathipeptide Tryptophan 5-Halogenase

The structure of Crystal Structure of Mibh, A Lathipeptide Tryptophan 5-Halogenase, PDB code: 5uao was solved by D.P.Cogan, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.38 / 1.88
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.436, 87.887, 100.632, 64.58, 69.90, 76.26
R / Rfree (%)	15.6 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Mibh, A Lathipeptide Tryptophan 5-Halogenase (pdb code 5uao). 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 Mibh, A Lathipeptide Tryptophan 5-Halogenase, PDB code: 5uao:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mibh, A Lathipeptide Tryptophan 5-Halogenase


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 Mibh, A Lathipeptide Tryptophan 5-Halogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:30.0 occ:1.00 O A:HOH864 3.0 31.1 1.0 N1 A:FAD601 3.1 39.5 1.0 N A:GLY358 3.1 23.6 1.0 C10 A:FAD601 3.2 39.0 1.0 CA A:SER356 3.2 29.9 1.0 C2 A:FAD601 3.3 41.6 1.0 N A:SER357 3.4 27.7 1.0 C4X A:FAD601 3.4 36.7 1.0 CA A:PRO353 3.4 27.8 1.0 N3 A:FAD601 3.4 37.9 1.0 CB A:PRO353 3.5 31.4 1.0 C4 A:FAD601 3.5 39.8 1.0 C A:SER356 3.6 27.4 1.0 CA A:GLY358 3.8 23.9 1.0 N10 A:FAD601 3.9 38.0 1.0 O2 A:FAD601 3.9 31.1 1.0 N A:SER356 4.0 27.5 1.0 CB A:SER356 4.1 37.1 1.0 N5 A:FAD601 4.1 41.5 1.0 C A:SER357 4.1 25.0 1.0 O A:HOH751 4.2 28.6 1.0 CA A:SER357 4.3 25.2 1.0 C A:PRO353 4.3 26.9 1.0 N A:PRO353 4.3 27.7 1.0 OG A:SER357 4.3 27.0 1.0 O4 A:FAD601 4.3 34.9 1.0 O A:PRO353 4.5 26.7 1.0 O A:SER356 4.5 29.9 1.0 O A:GLU352 4.5 28.7 1.0 O A:HOH970 4.5 30.6 1.0 O A:VAL351 4.6 29.7 1.0 C1' A:FAD601 4.6 43.3 1.0 C9A A:FAD601 4.6 37.7 1.0 O A:HOH807 4.7 40.1 1.0 C5X A:FAD601 4.7 35.5 1.0 O A:HOH791 4.7 36.7 1.0 C A:GLU352 4.7 30.3 1.0 CG A:PRO353 4.9 32.3 1.0 CB A:SER357 5.0 27.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mibh, A Lathipeptide Tryptophan 5-Halogenase


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 Mibh, A Lathipeptide Tryptophan 5-Halogenase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:30.0 occ:1.00 O D:HOH864 3.1 34.9 1.0 N D:GLY358 3.2 23.5 1.0 N D:SER357 3.2 22.5 1.0 CA D:PRO353 3.2 26.0 1.0 CA D:SER356 3.3 26.7 1.0 N1 D:FAD601 3.5 29.5 1.0 CB D:PRO353 3.5 28.5 1.0 C10 D:FAD601 3.5 26.7 1.0 C D:SER356 3.6 26.2 1.0 C2 D:FAD601 3.6 33.0 1.0 O D:HOH822 3.7 26.0 1.0 C4X D:FAD601 3.7 30.0 1.0 N3 D:FAD601 3.8 28.7 1.0 C4 D:FAD601 3.9 32.4 1.0 N D:SER356 3.9 23.6 1.0 CA D:GLY358 3.9 23.4 1.0 OG D:SER357 4.0 25.9 1.0 C D:SER357 4.1 25.6 1.0 C D:PRO353 4.1 25.4 1.0 N10 D:FAD601 4.1 28.2 1.0 CA D:SER357 4.1 24.7 1.0 N D:PRO353 4.2 24.0 1.0 O2 D:FAD601 4.2 28.3 1.0 O D:GLU352 4.4 27.6 1.0 O D:VAL351 4.4 29.3 1.0 O D:PRO353 4.4 30.1 1.0 CB D:SER356 4.4 32.6 1.0 N5 D:FAD601 4.5 29.5 1.0 C D:GLU352 4.5 27.8 1.0 O D:HOH992 4.5 33.2 1.0 O D:SER356 4.7 25.9 1.0 O4 D:FAD601 4.7 29.3 1.0 O D:HOH754 4.7 36.9 1.0 C1' D:FAD601 4.7 30.2 1.0 CB D:SER357 4.7 23.6 1.0 C9A D:FAD601 4.8 29.0 1.0 O D:HOH799 4.9 41.5 1.0 CG D:PRO353 4.9 24.8 1.0 C5X D:FAD601 4.9 31.4 1.0 CD D:PRO353 4.9 26.9 1.0

M.A.Ortega, D.P.Cogan, S.Mukherjee, N.Garg, B.Li, G.N.Thibodeaux, S.I.Maffioli, S.Donadio, M.Sosio, J.Escano, L.Smith, S.K.Nair, W.A.Van Der Donk. Two Flavoenzymes Catalyze the Post-Translational Generation of 5-Chlorotryptophan and 2-Aminovinyl-Cysteine During Nai-107 Biosynthesis. Acs Chem. Biol. V. 12 548 2017.
ISSN: ESSN 1554-8937
PubMed: 28032983
DOI: 10.1021/ACSCHEMBIO.6B01031