Chlorine in PDB 6v04: DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus

The structure of DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus, PDB code: 6v04 was solved by S.K.Alvarado, M.D.Miller, M.Bhardwaj, J.S.Thorson, S.G.Van Lanen, G.N.Philips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.61 / 1.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.171, 73.171, 123.944, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 18.8

The structure of DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus (pdb code 6v04). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus, PDB code: 6v04:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:34.5 occ:1.00 H A:GLU167 2.3 37.0 1.0 HH11 A:ARG206 2.4 40.0 1.0 HG2 A:GLU167 2.8 68.8 1.0 HD2 A:ARG206 2.9 38.1 1.0 HB2 A:ARG206 2.9 38.5 1.0 O A:HOH611 3.1 52.4 1.0 HG3 A:ARG206 3.1 36.5 1.0 N A:GLU167 3.2 30.9 1.0 NH1 A:ARG206 3.2 33.4 1.0 HA A:ARG166 3.2 32.4 1.0 HB2 A:GLU167 3.3 44.4 1.0 HD21 A:LEU204 3.4 46.0 1.0 HD22 A:LEU204 3.5 46.0 1.0 HH12 A:ARG206 3.5 40.0 1.0 CG A:GLU167 3.5 57.3 1.0 CG A:ARG206 3.6 30.4 1.0 CB A:ARG206 3.6 32.1 1.0 CD A:ARG206 3.6 31.8 1.0 CB A:GLU167 3.8 37.0 1.0 HG3 A:GLU167 3.8 68.8 1.0 CD2 A:LEU204 3.9 38.4 1.0 HA A:ARG206 3.9 36.2 1.0 HG A:LEU204 4.0 41.4 1.0 CA A:ARG166 4.0 27.0 1.0 CA A:GLU167 4.0 31.0 1.0 C A:ARG166 4.0 28.1 1.0 CZ A:ARG206 4.2 33.5 1.0 HB3 A:ARG166 4.2 36.4 1.0 CA A:ARG206 4.3 30.2 1.0 HD3 A:ARG206 4.4 38.1 1.0 NE A:ARG206 4.4 36.2 1.0 HB3 A:ARG206 4.4 38.5 1.0 HA A:GLU167 4.5 37.2 1.0 CG A:LEU204 4.5 34.5 1.0 HG2 A:ARG206 4.5 36.5 1.0 CB A:ARG166 4.6 30.3 1.0 HB3 A:GLU167 4.7 44.4 1.0 H A:ARG206 4.7 37.0 1.0 OE1 A:GLU168 4.7 34.5 1.0 HD23 A:LEU204 4.7 46.0 1.0 O A:HOH435 4.7 51.1 1.0 HG2 A:ARG166 4.8 36.0 1.0 CD A:GLU167 4.8 63.7 1.0 O A:HOH570 4.8 41.9 1.0 O A:LEU165 4.8 28.6 1.0 H A:GLU168 4.8 41.5 1.0 N A:ARG206 4.9 30.8 1.0

Chlorine binding site 2 out of 3 in the DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:33.9 occ:1.00 HE2 A:HIS163 2.4 35.9 1.0 HD3 A:ARG236 2.7 80.8 1.0 HG1 A:THR229 2.7 37.7 1.0 HB A:THR229 3.0 35.1 1.0 HD2 A:ARG236 3.0 80.8 1.0 HD3 A:PRO231 3.2 39.2 1.0 OG1 A:THR229 3.2 31.4 1.0 CD A:ARG236 3.2 67.4 1.0 NE2 A:HIS163 3.2 29.9 1.0 HG2 A:ARG236 3.5 70.8 1.0 CB A:THR229 3.5 29.3 1.0 HB3 A:PRO231 3.7 47.6 1.0 O A:GLU207 3.9 32.4 1.0 CG A:ARG236 3.9 59.0 1.0 CD A:PRO231 3.9 32.7 1.0 O A:THR229 4.0 31.3 1.0 C A:THR229 4.0 29.3 1.0 HD2 A:HIS163 4.1 38.9 1.0 N A:PRO231 4.1 30.3 1.0 CD2 A:HIS163 4.1 32.5 1.0 HG3 A:PRO231 4.1 53.4 1.0 HB3 A:ARG236 4.2 39.5 1.0 CE1 A:HIS163 4.3 29.4 1.0 HA A:PRO231 4.3 37.2 1.0 CB A:PRO231 4.3 39.7 1.0 N A:GLU230 4.3 26.9 1.0 CG A:PRO231 4.4 44.5 1.0 HE1 A:HIS163 4.4 35.2 1.0 C A:GLU230 4.4 27.9 1.0 HH11 A:ARG236 4.4 93.6 1.0 CA A:THR229 4.4 29.1 1.0 HA A:GLU230 4.5 32.8 1.0 NE A:ARG236 4.5 67.1 1.0 CA A:PRO231 4.5 31.0 1.0 HG21 A:THR229 4.6 37.4 1.0 HB3 A:GLU207 4.6 40.3 1.0 CA A:GLU230 4.7 27.4 1.0 HG3 A:ARG236 4.7 70.8 1.0 CB A:ARG236 4.7 32.9 1.0 CG2 A:THR229 4.7 31.2 1.0 HD2 A:PRO231 4.7 39.2 1.0 H A:GLU230 4.7 32.2 1.0 HH11 A:ARG208 4.9 43.1 1.0 C A:GLU207 4.9 33.5 1.0 HE A:ARG236 5.0 80.5 1.0 O A:GLU230 5.0 31.2 1.0

Chlorine binding site 3 out of 3 in the DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:31.4 occ:1.00 HE2 A:HIS246 2.4 37.2 1.0 O A:HOH620 2.9 43.6 1.0 NE2 A:HIS246 3.2 31.0 1.0 HE22 A:GLN149 3.4 37.4 1.0 HD2 A:HIS246 3.8 31.5 1.0 CD2 A:HIS246 3.9 26.3 1.0 NE2 A:GLN149 4.1 31.2 1.0 CE1 A:HIS246 4.3 25.7 1.0 HE21 A:GLN149 4.3 37.4 1.0 HD3 A:ARG247 4.4 54.8 0.4 HE A:ARG247 4.5 56.3 0.4 HE1 A:HIS246 4.5 30.9 1.0 HG2 A:ARG247 4.9 32.8 0.4 O A:HOH632 4.9 45.9 1.0 HG3 A:ARG247 5.0 32.8 0.4

S.K.Alvarado, M.D.Miller, M.Bhardwaj, J.S.Thorson, S.G.Van Lanen, G.N.Philips Jr.. DYNU16 Crystal Structure, A Putative Protein in the Dynemicin Biosynthetic Locus To Be Published.