Chlorine in PDB 3qjg: Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus

The structure of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus, PDB code: 3qjg was solved by J.Osipiuk, M.Makowska-Grzyska, K.Kwon, W.F.Anderson, A.Joachimiak, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 2.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.991, 111.256, 154.569, 90.00, 97.25, 90.00
R / Rfree (%)	20.8 / 26.3

The binding sites of Chlorine atom in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus (pdb code 3qjg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus, PDB code: 3qjg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:23.9 occ:1.00 O B:HOH303 2.6 27.3 1.0 O B:HOH927 3.0 30.1 1.0 N B:ASN117 3.2 19.7 1.0 NE2 A:HIS67 3.2 14.4 1.0 C4 B:FMN501 3.3 20.6 1.0 C4A B:FMN501 3.4 15.9 1.0 O4 B:FMN501 3.6 22.6 1.0 CE1 A:HIS67 3.6 16.5 1.0 N3 B:FMN501 3.6 19.3 1.0 SD B:MET120 3.7 24.8 1.0 CB B:ASN117 3.8 20.0 1.0 C10 B:FMN501 3.9 19.9 1.0 N5 B:FMN501 3.9 23.4 1.0 CA B:MET116 3.9 20.7 1.0 C B:MET116 4.0 21.0 1.0 C2 B:FMN501 4.0 18.8 1.0 CA B:ASN117 4.1 20.2 1.0 N1 B:FMN501 4.1 15.5 1.0 CG2 A:VAL68 4.3 17.0 1.0 CB B:MET116 4.5 19.4 1.0 OD1 B:ASN159 4.5 28.9 1.0 CD2 A:HIS67 4.5 16.1 1.0 N10 B:FMN501 4.6 17.2 1.0 CE B:MET120 4.7 20.6 1.0 C5A B:FMN501 4.7 19.1 1.0 O B:HOH525 4.7 30.5 1.0 O2 B:FMN501 4.9 18.1 1.0 ND1 A:HIS67 4.9 17.0 1.0

Chlorine binding site 2 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:32.8 occ:1.00 O A:HOH511 3.1 29.6 1.0 N A:ASN117 3.2 24.2 1.0 O C:HOH578 3.2 34.9 1.0 NE2 C:HIS67 3.3 18.7 1.0 C4 A:FMN501 3.4 18.6 1.0 C4A A:FMN501 3.5 19.4 1.0 CE1 C:HIS67 3.6 21.3 1.0 O4 A:FMN501 3.7 20.0 1.0 N3 A:FMN501 3.7 14.6 1.0 O A:HOH533 3.8 34.1 1.0 SD A:MET120 3.8 28.3 1.0 CB A:ASN117 3.8 25.2 1.0 C10 A:FMN501 3.9 20.7 1.0 N5 A:FMN501 3.9 21.2 1.0 CA A:MET116 4.0 22.4 1.0 C A:MET116 4.0 24.2 1.0 CA A:ASN117 4.0 25.8 1.0 C2 A:FMN501 4.1 18.9 1.0 N1 A:FMN501 4.2 19.2 1.0 CG2 C:VAL68 4.3 26.4 1.0 CD2 C:HIS67 4.5 18.1 1.0 ND2 A:ASN159 4.6 29.4 1.0 CB A:MET116 4.6 22.2 1.0 N10 A:FMN501 4.7 19.1 1.0 C5A A:FMN501 4.7 18.7 1.0 O A:HOH1197 4.8 32.7 1.0 ND1 C:HIS67 4.9 21.6 1.0 O2 A:FMN501 4.9 21.6 1.0 CE A:MET120 4.9 26.2 1.0

Chlorine binding site 3 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl702 b:31.8 occ:1.00 O D:HOH252 2.7 34.0 1.0 NE2 D:HIS67 3.1 29.8 1.0 O F:HOH438 3.2 32.7 1.0 N F:ASN117 3.3 30.4 1.0 CE1 D:HIS67 3.4 31.1 1.0 C4 F:FMN501 3.4 27.8 1.0 C4A F:FMN501 3.5 27.6 1.0 O4 F:FMN501 3.7 29.0 1.0 CB F:ASN117 3.7 31.4 1.0 SD F:MET120 3.7 33.5 1.0 N3 F:FMN501 3.8 27.6 1.0 N5 F:FMN501 3.8 25.1 1.0 C10 F:FMN501 3.9 26.4 1.0 CA F:ASN117 4.1 31.2 1.0 C F:MET116 4.1 30.6 1.0 CA F:MET116 4.1 28.9 1.0 CG2 D:VAL68 4.2 26.5 1.0 C2 F:FMN501 4.2 24.6 1.0 N1 F:FMN501 4.3 25.1 1.0 CD2 D:HIS67 4.4 29.4 1.0 OD1 F:ASN159 4.4 42.3 1.0 C5A F:FMN501 4.6 24.6 1.0 O F:HOH1333 4.7 39.5 1.0 ND1 D:HIS67 4.7 29.6 1.0 N10 F:FMN501 4.7 22.3 1.0 CE F:MET120 4.7 27.9 1.0 CB F:MET116 4.7 29.0 1.0 CG F:ASN117 4.9 30.4 1.0 C9A F:FMN501 5.0 26.0 1.0

Chlorine binding site 4 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl706 b:33.6 occ:1.00 O D:HOH383 3.0 27.8 1.0 NE2 E:HIS67 3.1 19.5 1.0 N D:ASN117 3.2 25.6 1.0 C4 D:FMN501 3.4 26.0 1.0 C4A D:FMN501 3.5 25.6 1.0 CE1 E:HIS67 3.6 23.6 1.0 SD D:MET120 3.6 31.3 1.0 N3 D:FMN501 3.7 26.7 1.0 CB D:ASN117 3.7 26.3 1.0 O4 D:FMN501 3.7 27.1 1.0 O D:HOH291 3.8 50.4 1.0 C10 D:FMN501 3.9 21.7 1.0 N5 D:FMN501 3.9 22.6 1.0 CA D:ASN117 4.0 26.5 1.0 C2 D:FMN501 4.1 26.7 1.0 C D:MET116 4.1 25.0 1.0 CA D:MET116 4.1 24.0 1.0 N1 D:FMN501 4.2 25.6 1.0 CG2 E:VAL68 4.2 21.7 1.0 CD2 E:HIS67 4.4 21.3 1.0 N10 D:FMN501 4.6 18.2 1.0 CE D:MET120 4.6 32.6 1.0 C5A D:FMN501 4.7 20.9 1.0 CB D:MET116 4.8 23.7 1.0 O2 D:FMN501 4.8 22.1 1.0 O D:HOH1279 4.8 39.2 1.0 ND2 D:ASN159 4.9 38.1 1.0 ND1 E:HIS67 4.9 21.6 1.0 CG D:ASN117 4.9 26.0 1.0

Chlorine binding site 5 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl703 b:29.6 occ:1.00 O K:HOH386 2.8 34.2 1.0 NE2 J:HIS67 3.1 32.3 1.0 N K:ASN117 3.2 30.0 1.0 O K:HOH320 3.3 40.8 1.0 C4 K:FMN501 3.3 26.8 1.0 C4A K:FMN501 3.4 27.7 1.0 CE1 J:HIS67 3.5 34.1 1.0 O4 K:FMN501 3.7 28.0 1.0 N3 K:FMN501 3.7 26.9 1.0 O K:HOH1407 3.7 46.1 1.0 CB K:ASN117 3.7 30.9 1.0 SD K:MET120 3.8 34.9 1.0 C10 K:FMN501 3.9 27.3 1.0 N5 K:FMN501 3.9 26.9 1.0 CA K:MET116 4.0 28.6 1.0 CA K:ASN117 4.0 30.5 1.0 C2 K:FMN501 4.1 25.2 1.0 C K:MET116 4.1 30.2 1.0 N1 K:FMN501 4.2 26.4 1.0 CG2 J:VAL68 4.3 27.7 1.0 CD2 J:HIS67 4.4 32.0 1.0 ND2 K:ASN159 4.5 40.7 1.0 N10 K:FMN501 4.7 24.0 1.0 C5A K:FMN501 4.7 25.2 1.0 CB K:MET116 4.7 28.4 1.0 CE K:MET120 4.7 27.1 1.0 O K:HOH1342 4.8 44.0 1.0 ND1 J:HIS67 4.8 30.8 1.0 O2 K:FMN501 4.9 24.9 1.0 CG K:ASN117 4.9 31.3 1.0

Chlorine binding site 6 out of 6 in the Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl704 b:30.2 occ:1.00 C4 J:FMN501 3.2 27.8 1.0 NE2 L:HIS67 3.2 24.9 1.0 O J:HOH553 3.3 36.8 1.0 N J:ASN117 3.3 29.6 1.0 C4A J:FMN501 3.3 26.5 1.0 O4 J:FMN501 3.5 29.4 1.0 N3 J:FMN501 3.5 27.8 1.0 CE1 L:HIS67 3.7 28.3 1.0 C10 J:FMN501 3.8 25.7 1.0 N5 J:FMN501 3.8 27.0 1.0 CB J:ASN117 3.8 30.5 1.0 SD J:MET120 3.8 36.8 1.0 O J:HOH186 3.9 49.4 1.0 C2 J:FMN501 4.0 27.6 1.0 CA J:MET116 4.0 28.4 1.0 N1 J:FMN501 4.1 27.3 1.0 C J:MET116 4.1 29.3 1.0 CA J:ASN117 4.1 30.8 1.0 CD2 L:HIS67 4.4 26.4 1.0 CG2 L:VAL68 4.5 28.8 1.0 O J:HOH891 4.6 45.0 1.0 N10 J:FMN501 4.6 23.6 1.0 C5A J:FMN501 4.6 24.4 1.0 CE J:MET120 4.6 33.2 1.0 CB J:MET116 4.7 28.2 1.0 O2 J:FMN501 4.7 29.3 1.0 C9A J:FMN501 4.9 24.2 1.0 ND2 J:ASN159 5.0 44.1 1.0 ND1 L:HIS67 5.0 27.1 1.0

J.Osipiuk, M.Makowska-Grzyska, K.Kwon, W.F.Anderson, A.Joachimiak. Epidermin Biosynthesis Protein Epid From Staphylococcus Aureus. To Be Published.