Chlorine in PDB 7fe6: Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis

The structure of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis, PDB code: 7fe6 was solved by B.Zhang, H.M.Ge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.60 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.45, 73.45, 242.4, 90, 90, 90
R / Rfree (%)	19 / 24.2

The binding sites of Chlorine atom in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis (pdb code 7fe6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis, PDB code: 7fe6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:100.1 occ:1.00 N A:ALA26 2.8 53.3 1.0 NE A:ARG181 2.9 58.6 1.0 OE1 A:GLN183 2.9 50.5 1.0 O A:ARG181 3.0 58.9 1.0 CA A:VAL25 3.3 55.4 1.0 CB A:VAL25 3.4 59.2 1.0 NH2 A:ARG181 3.5 57.9 1.0 C A:VAL25 3.5 53.3 1.0 O A:ALA26 3.5 48.1 1.0 CB A:ARG181 3.5 64.8 1.0 CZ A:ARG181 3.6 62.5 1.0 C A:ARG181 3.7 57.8 1.0 CG A:ARG181 3.8 62.9 1.0 CB A:GLN183 3.8 53.8 1.0 CD A:ARG181 3.9 58.8 1.0 CA A:ALA26 3.9 50.8 1.0 CD A:GLN183 3.9 49.4 1.0 O A:LEU182 4.0 57.0 1.0 C A:LEU182 4.1 55.2 1.0 C A:ALA26 4.2 49.5 1.0 CA A:ARG181 4.2 62.2 1.0 N A:GLN183 4.2 53.0 1.0 CG1 A:VAL25 4.2 59.1 1.0 CB A:ALA26 4.3 48.5 1.0 CA A:GLN183 4.4 49.8 1.0 CG A:GLN183 4.4 48.7 1.0 N A:LEU182 4.5 56.8 1.0 CG2 A:VAL25 4.6 47.8 1.0 N A:VAL25 4.7 53.2 1.0 NH2 B:ARG50 4.7 53.0 1.0 O A:VAL25 4.7 54.0 1.0 O A:ILE24 4.8 57.8 1.0 N A:ARG181 4.8 60.7 1.0 CA A:LEU182 4.9 53.9 1.0 NH1 A:ARG181 4.9 61.7 1.0

Chlorine binding site 2 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:77.7 occ:1.00 OE2 C:GLU151 2.6 53.3 1.0 NE1 A:TRP88 2.7 52.5 1.0 CD1 A:TRP88 3.2 46.4 1.0 CD C:GLU151 3.4 54.9 1.0 CD C:ARG188 3.5 45.2 1.0 CG C:GLU151 3.7 42.8 1.0 CE A:LYS82 3.7 48.1 1.0 CB C:GLU151 3.9 41.9 1.0 CE2 A:TRP88 3.9 49.5 1.0 NE C:ARG188 4.0 48.1 1.0 NH1 C:ARG188 4.0 44.3 1.0 CZ C:ARG188 4.3 45.0 1.0 NH2 A:ARG141 4.4 49.7 1.0 CD A:LYS82 4.4 48.4 1.0 OE1 C:GLU151 4.5 59.8 1.0 CG A:TRP88 4.6 50.2 1.0 CZ2 A:TRP88 4.6 49.4 1.0 CA C:GLU151 4.7 45.5 1.0 O C:GLU151 4.8 47.0 1.0 CD2 A:TRP88 4.9 49.5 1.0 CG C:ARG188 4.9 46.8 1.0 NZ A:LYS82 4.9 49.3 1.0

Chlorine binding site 3 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:72.5 occ:1.00 OG1 A:THR48 2.8 54.5 1.0 OD2 A:ASP27 2.8 48.3 1.0 O A:PHE46 3.0 46.2 1.0 CB A:THR48 3.4 52.9 1.0 N A:THR48 3.5 51.0 1.0 CG A:ASP27 3.5 45.5 1.0 CD2 A:PHE46 3.6 45.2 1.0 N A:ASP27 3.6 43.5 1.0 C A:PHE46 3.7 47.0 1.0 O A:VAL25 3.8 54.0 1.0 CA A:ALA26 3.8 50.8 1.0 C A:ALA26 3.9 49.5 1.0 CA A:TYR47 3.9 49.1 1.0 C A:TYR47 3.9 49.3 1.0 CB A:ASP27 3.9 41.6 1.0 CE2 A:PHE46 4.1 44.9 1.0 CA A:THR48 4.1 50.8 1.0 CG2 A:VAL25 4.2 47.8 1.0 N A:TYR47 4.2 47.7 1.0 C A:VAL25 4.2 53.3 1.0 N A:ALA26 4.3 53.3 1.0 CA A:ASP27 4.4 43.5 1.0 CG A:PHE46 4.5 45.7 1.0 OD1 A:ASP27 4.5 46.7 1.0 CB A:PHE46 4.7 46.7 1.0 O A:TYR47 4.7 48.6 1.0 CG2 A:THR48 4.8 52.8 1.0 O A:ALA26 4.8 48.1 1.0 CA A:PHE46 4.8 43.8 1.0

Chlorine binding site 4 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:81.6 occ:1.00 NH2 B:ARG50 2.8 53.0 1.0 OD2 B:ASP27 3.0 48.2 1.0 NE2 A:GLN183 3.2 49.0 1.0 NE B:ARG50 3.4 61.9 1.0 NH2 A:ARG181 3.4 57.9 1.0 OE1 A:GLN183 3.5 50.5 1.0 CZ B:ARG50 3.5 58.0 1.0 CD A:GLN183 3.7 49.4 1.0 CG2 B:VAL25 3.8 54.5 1.0 CG B:ASP27 3.8 45.9 1.0 CZ A:ARG181 3.8 62.5 1.0 OD1 B:ASP27 3.8 43.5 1.0 NH1 A:ARG181 4.0 61.7 1.0 NE A:ARG181 4.6 58.6 1.0 CD B:ARG50 4.7 60.3 1.0 NH1 B:ARG50 4.8 59.8 1.0 CB B:VAL25 4.9 58.2 1.0

Chlorine binding site 5 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:89.8 occ:1.00 NE2 B:GLN183 2.7 44.8 1.0 N B:ALA26 2.9 50.6 1.0 O B:ARG181 3.0 58.9 1.0 NE B:ARG181 3.0 57.1 1.0 CB B:VAL25 3.4 58.2 1.0 CA B:VAL25 3.4 58.0 1.0 O B:ALA26 3.4 48.7 1.0 NH2 B:ARG181 3.5 57.4 1.0 CB B:GLN183 3.6 48.4 1.0 C B:VAL25 3.6 55.8 1.0 CB B:ARG181 3.7 61.5 1.0 CZ B:ARG181 3.7 59.4 1.0 CD B:GLN183 3.7 49.5 1.0 C B:ARG181 3.7 59.2 1.0 CA B:ALA26 3.9 48.7 1.0 O B:LEU182 3.9 56.9 1.0 CG B:ARG181 4.0 58.9 1.0 CD B:ARG181 4.0 60.1 1.0 C B:ALA26 4.1 48.2 1.0 C B:LEU182 4.1 55.6 1.0 CG B:GLN183 4.1 47.1 1.0 CG1 B:VAL25 4.2 60.2 1.0 N B:GLN183 4.2 51.8 1.0 CA B:GLN183 4.2 50.7 1.0 CA B:ARG181 4.3 61.6 1.0 CB B:ALA26 4.3 49.6 1.0 CG2 B:VAL25 4.6 54.5 1.0 N B:LEU182 4.6 57.0 1.0 OE1 B:GLN183 4.8 46.2 1.0 NH2 C:ARG50 4.8 55.8 1.0 N B:VAL25 4.8 56.6 1.0 O B:VAL25 4.8 56.2 1.0 CA B:LEU182 4.9 53.6 1.0 O B:ILE24 4.9 59.9 1.0 N B:ARG181 5.0 62.4 1.0

Chlorine binding site 6 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:78.5 occ:1.00 NE2 C:GLN183 2.7 43.1 1.0 O C:ARG181 2.8 51.2 1.0 NE C:ARG181 2.9 53.4 1.0 N C:ALA26 3.0 45.6 1.0 NH2 C:ARG181 3.3 52.5 1.0 CA C:VAL25 3.4 49.1 1.0 CB C:ARG181 3.6 51.8 1.0 CZ C:ARG181 3.6 52.0 1.0 C C:ARG181 3.6 49.6 1.0 CB C:VAL25 3.6 51.5 1.0 C C:VAL25 3.7 46.2 1.0 CB C:GLN183 3.7 42.4 1.0 O C:LEU182 3.7 50.0 1.0 O C:ALA26 3.7 44.4 1.0 CG C:ARG181 3.8 53.0 1.0 CD C:GLN183 3.9 43.1 1.0 CD C:ARG181 3.9 54.6 1.0 C C:LEU182 3.9 48.9 1.0 CA C:ALA26 4.0 44.0 1.0 N C:GLN183 4.1 48.4 1.0 CA C:ARG181 4.2 49.2 1.0 CA C:GLN183 4.2 43.8 1.0 CB C:ALA26 4.3 39.4 1.0 CG C:GLN183 4.3 40.7 1.0 C C:ALA26 4.3 43.4 1.0 N C:LEU182 4.4 49.2 1.0 CG1 C:VAL25 4.4 49.6 1.0 NH2 A:ARG50 4.6 54.3 1.0 CA C:LEU182 4.7 48.9 1.0 O C:ILE24 4.7 50.5 1.0 N C:VAL25 4.8 52.6 1.0 CG2 C:VAL25 4.8 48.4 1.0 O C:VAL25 4.8 47.3 1.0 N C:ARG181 4.9 52.0 1.0 NH1 C:ARG181 4.9 51.3 1.0 OE1 C:GLN183 4.9 44.6 1.0

Chlorine binding site 7 out of 7 in the Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:90.3 occ:1.00 O C:HOH313 2.8 51.5 1.0 OD2 C:ASP70 3.2 55.5 1.0 CG C:ASP70 3.9 57.7 1.0 CB C:ASP70 4.2 52.7 1.0 CA C:GLY105 4.4 51.6 1.0 N C:GLY106 4.6 51.4 1.0 O C:GLY106 4.6 51.9 1.0 OD1 C:ASP70 4.9 55.2 1.0 C C:GLY105 5.0 52.3 1.0 CD1 C:PHE101 5.0 51.7 1.0

H.J.Zhu, B.Zhang, S.H.Liu, L.Xiang, W.Wang, J.P.Zhu, R.H.Jiao, R.X.Tan, H.M.Ge. Avmm Catalyzes Macrocyclization in Alchivemycin A Biosynthesis To Be Published.