Iodine in PDB 6e00: Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue

The structure of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue, PDB code: 6e00 was solved by J.S.Nowick, H.Yang, M.Wierzbicki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.21 / 2.20
Space group	P 21 21 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.478, 69.370, 115.422, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iodine atom in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue (pdb code 6e00). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 32 binding sites of Iodine where determined in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue, PDB code: 6e00:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:0.5 occ:1.00 I A:HJY1 0.0 0.5 1.0 CZ A:HJY1 2.1 97.3 1.0 CE1 A:HJY1 3.0 86.5 1.0 HB1 b:ALA9 3.0 33.7 1.0 CE2 A:HJY1 3.0 89.5 1.0 HE1 A:HJY1 3.1 86.4 1.0 HE2 A:HJY1 3.1 88.6 1.0 HG3 b:LYS10 3.4 48.0 1.0 HD12 A:ILE2 3.4 37.0 1.0 HZ3 b:LYS10 3.4 50.0 1.0 HA B:ALA9 3.5 29.1 1.0 HB3 b:ALA9 3.8 33.6 1.0 CB b:ALA9 3.8 33.5 1.0 HE2 b:LYS10 3.8 49.9 1.0 HG2 b:LYS10 3.9 48.1 1.0 CE2 c:HJY1 4.1 34.2 1.0 HE2 c:HJY1 4.1 35.0 1.0 CG b:LYS10 4.1 50.0 1.0 NZ b:LYS10 4.1 49.8 1.0 HZ2 b:LYS10 4.1 50.0 1.0 HB2 B:ALA9 4.2 28.5 1.0 CD2 c:HJY1 4.2 35.1 1.0 CD1 A:ILE2 4.3 37.3 1.0 CD1 A:HJY1 4.3 78.8 1.0 HB2 b:ALA9 4.3 33.7 1.0 CD2 A:HJY1 4.4 80.2 1.0 CA B:ALA9 4.4 29.6 1.0 HD2 c:HJY1 4.4 34.4 1.0 CE b:LYS10 4.4 50.4 1.0 CZ c:HJY1 4.5 36.0 1.0 HD11 A:ILE2 4.5 37.0 1.0 H b:LYS10 4.5 36.7 1.0 N b:LYS10 4.6 36.2 1.0 N B:ALA9 4.7 26.4 1.0 C b:ALA9 4.7 35.6 1.0 H B:ALA9 4.7 27.0 1.0 CB B:ALA9 4.7 28.1 1.0 HD13 A:ILE2 4.8 36.9 1.0 CG c:HJY1 4.8 31.9 1.0 HG13 A:ILE2 4.8 35.7 1.0 HZ1 b:LYS10 4.9 50.0 1.0 CD b:LYS10 4.9 49.0 1.0 CG A:HJY1 4.9 73.3 1.0 CA b:ALA9 4.9 33.9 1.0 HB1 B:ALA9 5.0 28.5 1.0 CE1 c:HJY1 5.0 35.5 1.0

Iodine binding site 2 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:I1 b:42.8 occ:1.00 I B:HJY1 0.0 42.8 1.0 CZ B:HJY1 2.1 27.2 1.0 CE1 B:HJY1 3.1 23.9 1.0 CE2 B:HJY1 3.1 25.7 1.0 HE1 B:HJY1 3.1 24.6 1.0 HE2 B:HJY1 3.1 25.6 1.0 HE1 i:HJY1 3.2 27.3 1.0 HG22 C:ILE6 3.2 17.7 1.0 HA h:ALA9 3.4 20.9 1.0 CE1 i:HJY1 3.5 27.1 1.0 HG22 D:ILE2 3.7 13.3 1.0 HD12 g:ILE2 3.8 19.4 1.0 HB2 h:ALA9 3.9 20.6 1.0 HG12 g:ILE2 4.0 17.7 1.0 HG21 C:ILE6 4.0 17.6 1.0 CZ i:HJY1 4.0 31.8 1.0 CG2 C:ILE6 4.0 17.7 1.0 CD1 i:HJY1 4.1 23.5 1.0 HG12 D:ILE2 4.2 14.5 1.0 HD1 i:HJY1 4.2 24.8 1.0 CA h:ALA9 4.2 20.8 1.0 CD1 B:HJY1 4.4 23.5 1.0 I i:HJY1 4.4 46.6 1.0 CD2 B:HJY1 4.4 24.1 1.0 HG23 D:ILE2 4.4 13.3 1.0 HD13 D:ILE2 4.5 15.3 1.0 HD11 C:ILE6 4.5 19.2 1.0 CB h:ALA9 4.5 20.6 1.0 HD13 C:ILE6 4.5 19.2 1.0 CD1 g:ILE2 4.5 20.2 1.0 CG2 D:ILE2 4.5 13.3 1.0 HG23 C:ILE6 4.5 17.6 1.0 N h:ALA9 4.6 19.0 1.0 CG1 g:ILE2 4.6 17.6 1.0 HG13 g:ILE2 4.6 17.6 1.0 HB1 h:ALA9 4.6 20.6 1.0 HD13 g:ILE2 4.7 19.4 1.0 HB C:ILE6 4.8 17.4 1.0 HG12 B:ILE2 4.8 15.9 1.0 HB2 C:ALA9 4.9 16.9 1.0 H h:ALA9 4.9 19.1 1.0 CG B:HJY1 4.9 22.1 1.0 C h:DTH8 4.9 18.0 1.0 CD1 C:ILE6 5.0 20.1 1.0 CG1 D:ILE2 5.0 14.4 1.0 CE2 i:HJY1 5.0 29.2 1.0

Iodine binding site 3 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ C:I1 b:54.3 occ:1.00 I C:HJY1 0.0 54.3 1.0 CZ C:HJY1 2.1 44.7 1.0 HB2 b:ALA9 3.0 33.7 1.0 CE1 C:HJY1 3.0 39.5 1.0 HE1 C:HJY1 3.1 40.1 1.0 CE2 C:HJY1 3.1 41.5 1.0 HG12 a:ILE2 3.1 43.3 1.0 HE2 C:HJY1 3.1 40.8 1.0 HG21 b:ILE6 3.1 18.4 1.0 HE1 c:HJY1 3.2 36.0 1.0 O b:SER7 3.4 21.1 1.0 H b:ALA9 3.4 31.0 1.0 HG23 b:ILE6 3.4 18.4 1.0 N b:ALA9 3.6 31.1 1.0 CG2 b:ILE6 3.6 18.3 1.0 HG23 a:ILE2 3.6 42.6 1.0 HA a:ILE2 3.6 37.4 1.0 HG22 b:ILE6 3.7 18.4 1.0 CB b:ALA9 3.8 33.5 1.0 HA b:ALA9 3.8 33.6 1.0 HE2 a:HJY1 3.9 61.8 1.0 C b:SER7 3.9 23.8 1.0 CA b:ALA9 3.9 33.9 1.0 CG1 a:ILE2 4.0 43.7 1.0 CE1 c:HJY1 4.0 35.5 1.0 HD1 c:HJY1 4.0 35.5 1.0 HB3 b:ALA9 4.1 33.6 1.0 C b:DTH8 4.1 28.2 1.0 CG2 a:ILE2 4.3 43.5 1.0 HG22 a:ILE2 4.3 42.6 1.0 HA b:DTH8 4.3 27.7 1.0 CD1 C:HJY1 4.3 37.4 1.0 HA b:SER7 4.4 23.6 1.0 CD2 C:HJY1 4.4 36.4 1.0 CE2 a:HJY1 4.4 61.0 1.0 N b:DTH8 4.4 26.1 1.0 HD13 a:ILE2 4.4 44.5 1.0 CD1 c:HJY1 4.5 37.0 1.0 CB a:ILE2 4.5 40.8 1.0 CA a:ILE2 4.5 37.3 1.0 CA b:DTH8 4.5 27.9 1.0 HB1 b:ALA9 4.5 33.7 1.0 HG13 a:ILE2 4.5 43.3 1.0 CA b:SER7 4.6 23.5 1.0 H a:SER3 4.7 26.9 1.0 N b:SER7 4.8 22.6 1.0 CD1 a:ILE2 4.8 44.9 1.0 O b:DTH8 4.9 30.2 1.0 CG C:HJY1 4.9 34.2 1.0 CZ a:HJY1 4.9 67.7 1.0 I a:HJY1 4.9 0.2 1.0

Iodine binding site 4 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ D:I1 b:24.4 occ:1.00 I D:HJY1 0.0 24.4 1.0 CZ D:HJY1 2.1 16.2 1.0 CE2 D:HJY1 3.0 14.5 1.0 CE1 D:HJY1 3.1 14.7 1.0 HG12 i:ILE2 3.1 16.3 1.0 HE2 D:HJY1 3.1 14.7 1.0 HE1 D:HJY1 3.1 14.8 1.0 HG22 F:ILE2 3.2 16.3 1.0 HA j:ALA9 3.2 13.9 1.0 HD2 i:HJY1 3.4 26.7 1.0 HG22 E:ILE6 3.6 15.0 1.0 HD11 F:ILE2 3.8 16.6 1.0 HE2 i:HJY1 3.9 28.9 1.0 HD12 i:ILE2 3.9 16.6 1.0 HD11 E:ILE6 3.9 14.6 1.0 CG1 i:ILE2 3.9 16.1 1.0 HB2 j:ALA9 3.9 13.6 1.0 HD11 D:ILE2 3.9 15.2 1.0 HD13 i:ILE2 4.0 16.6 1.0 HD12 D:ILE2 4.0 15.3 1.0 CA j:ALA9 4.1 13.9 1.0 HG13 i:ILE2 4.1 16.3 1.0 CD1 i:ILE2 4.1 16.9 1.0 CG2 F:ILE2 4.1 16.7 1.0 CD2 i:HJY1 4.2 26.6 1.0 HD13 F:ILE2 4.3 16.6 1.0 O j:DTH8 4.3 16.9 1.0 N j:ALA9 4.3 13.7 1.0 C j:DTH8 4.3 14.4 1.0 CD2 D:HJY1 4.4 13.8 1.0 CD1 D:HJY1 4.4 14.0 1.0 HG21 F:ILE2 4.4 16.3 1.0 CE2 i:HJY1 4.4 29.2 1.0 CG2 E:ILE6 4.4 15.0 1.0 CD1 D:ILE2 4.5 15.6 1.0 HG21 E:ILE6 4.5 15.0 1.0 CB j:ALA9 4.5 13.5 1.0 CD1 F:ILE2 4.5 17.0 1.0 HA j:DTH8 4.6 13.6 1.0 O i:HJY1 4.6 19.0 1.0 HG23 F:ILE2 4.6 16.3 1.0 HB F:ILE2 4.7 15.7 1.0 CD1 E:ILE6 4.8 14.6 1.0 HB1 j:ALA9 4.8 13.6 1.0 HD13 E:ILE6 4.8 14.6 1.0 HB E:ILE6 4.8 14.8 1.0 H j:ALA9 4.9 13.9 1.0 CG D:HJY1 4.9 13.0 1.0 I F:HJY1 4.9 27.5 1.0 HA i:ILE2 4.9 16.2 1.0 CB F:ILE2 5.0 15.4 1.0 HD13 D:ILE2 5.0 15.3 1.0

Iodine binding site 5 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ E:I1 b:24.3 occ:1.00 I E:HJY1 0.0 24.3 1.0 CZ E:HJY1 2.1 18.1 1.0 CE2 E:HJY1 3.0 16.9 1.0 HE2 E:HJY1 3.1 17.0 1.0 CE1 E:HJY1 3.1 19.1 1.0 HE1 E:HJY1 3.1 18.4 1.0 HG22 c:ILE2 3.2 16.8 1.0 HG22 D:ILE6 3.3 17.7 1.0 HG13 b:ILE6 3.3 20.2 1.0 H28 b:28J5 3.4 17.3 1.0 HD11 C:ILE2 3.5 16.9 1.0 HG21 c:ILE2 3.7 16.8 1.0 HG22 C:ILE2 3.7 15.0 1.0 CG2 c:ILE2 3.8 17.1 1.0 H24 b:28J5 3.9 16.9 1.0 HD12 E:ILE2 4.0 16.7 1.0 H22 b:28J5 4.0 16.6 1.0 HG21 D:ILE6 4.0 17.7 1.0 HD11 D:ILE6 4.1 19.6 1.0 HG12 b:ILE6 4.1 20.2 1.0 CG2 D:ILE6 4.1 17.9 1.0 HD13 d:ILE6 4.1 11.8 1.0 H25 b:28J5 4.1 16.9 1.0 HG13 c:ILE2 4.1 16.9 1.0 HB c:ILE2 4.1 16.4 1.0 CG1 b:ILE6 4.1 20.4 1.0 HG23 C:ILE2 4.3 14.9 1.0 HG23 d:ILE6 4.3 11.8 1.0 HG22 d:ILE6 4.3 11.8 1.0 CD1 b:28J5 4.3 17.6 1.0 CD2 E:HJY1 4.3 16.0 1.0 CG2 b:28J5 4.4 17.3 1.0 I e:HJY1 4.4 21.9 1.0 CD1 E:HJY1 4.4 17.8 1.0 CG2 C:ILE2 4.5 15.1 1.0 CD1 C:ILE2 4.5 17.6 1.0 CB c:ILE2 4.5 16.1 1.0 H29 b:28J5 4.6 17.3 1.0 HD13 D:ILE6 4.6 19.6 1.0 HG23 c:ILE2 4.6 16.8 1.0 HG23 D:ILE6 4.6 17.7 1.0 CB b:28J5 4.7 16.3 1.0 H30 b:28J5 4.7 17.3 1.0 HG13 C:ILE2 4.8 15.7 1.0 CG2 d:ILE6 4.8 11.8 1.0 CD1 D:ILE6 4.8 20.1 1.0 HD12 b:ILE6 4.8 21.1 1.0 CG1 c:ILE2 4.8 17.2 1.0 HB b:ILE6 4.8 18.9 1.0 HD12 C:ILE2 4.9 16.9 1.0 HB D:ILE6 4.9 17.6 1.0 HD11 d:ILE6 4.9 11.8 1.0 CG E:HJY1 4.9 16.5 1.0 CD1 E:ILE2 4.9 17.2 1.0 CD1 d:ILE6 4.9 11.7 1.0 HD13 C:ILE2 5.0 16.9 1.0 CD1 b:ILE6 5.0 21.4 1.0

Iodine binding site 6 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ F:I1 b:27.5 occ:1.00 I F:HJY1 0.0 27.5 1.0 CZ F:HJY1 2.1 18.6 1.0 CE1 F:HJY1 3.0 17.2 1.0 CE2 F:HJY1 3.0 18.7 1.0 HE1 F:HJY1 3.0 17.6 1.0 HG23 i:ILE2 3.1 15.4 1.0 HE2 F:HJY1 3.1 18.4 1.0 HD13 F:ILE2 3.3 16.6 1.0 HG21 j:ILE6 3.5 22.6 1.0 O j:SER7 3.5 12.3 1.0 HA j:SER7 3.6 12.6 1.0 C j:SER7 3.7 12.5 1.0 H j:ALA9 3.7 13.9 1.0 HG22 j:ILE6 3.9 22.7 1.0 HD13 i:ILE2 4.0 16.6 1.0 HD1 k:HJY1 4.0 15.5 1.0 CG2 i:ILE2 4.0 14.9 1.0 CA j:SER7 4.0 12.4 1.0 HG23 F:ILE2 4.1 16.3 1.0 CG2 j:ILE6 4.1 23.9 1.0 HB2 j:ALA9 4.1 13.6 1.0 N j:DTH8 4.2 13.2 1.0 HG21 i:ILE2 4.2 15.4 1.0 N j:SER7 4.2 13.6 1.0 HG22 F:ILE2 4.2 16.3 1.0 HB j:ILE6 4.3 20.8 1.0 CD1 F:ILE2 4.3 17.0 1.0 N j:ALA9 4.3 13.7 1.0 CD1 F:HJY1 4.3 17.4 1.0 CD2 F:HJY1 4.3 18.0 1.0 HG12 i:ILE2 4.3 16.3 1.0 HA j:DTH8 4.3 13.6 1.0 H j:SER7 4.4 13.4 1.0 HG22 i:ILE2 4.5 15.4 1.0 HA i:ILE2 4.5 16.2 1.0 CD1 k:HJY1 4.6 14.8 1.0 H j:DTH8 4.6 13.1 1.0 O4 j:SO4101 4.6 15.2 1.0 CG2 F:ILE2 4.7 16.7 1.0 HD11 F:ILE2 4.7 16.6 1.0 CA j:DTH8 4.7 13.4 1.0 HD11 G:ILE6 4.7 23.1 1.0 HD12 F:ILE2 4.7 16.6 1.0 C j:ILE6 4.7 14.0 1.0 CB j:ILE6 4.8 20.2 1.0 HB1 k:HJY1 4.8 13.9 1.0 CD1 i:ILE2 4.8 16.9 1.0 HG12 F:ILE2 4.8 16.0 1.0 CB j:ALA9 4.8 13.5 1.0 HB3 j:ALA9 4.8 13.6 1.0 CG1 i:ILE2 4.8 16.1 1.0 C j:DTH8 4.9 14.4 1.0 CB i:ILE2 4.9 16.4 1.0 CG F:HJY1 4.9 16.4 1.0 HG23 j:ILE6 4.9 22.7 1.0 I D:HJY1 4.9 24.4 1.0 HE1 k:HJY1 4.9 16.5 1.0 O j:ILE6 5.0 12.3 1.0

Iodine binding site 7 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ G:I1 b:36.9 occ:1.00 I G:HJY1 0.0 36.9 1.0 CZ G:HJY1 2.1 22.5 1.0 CE2 G:HJY1 3.0 20.2 1.0 HE2 G:HJY1 3.1 20.4 1.0 CE1 G:HJY1 3.1 18.1 1.0 HE1 G:HJY1 3.1 19.2 1.0 HD12 c:ILE6 3.4 13.4 1.0 HD13 E:ILE2 3.5 16.7 1.0 HG22 F:ILE6 3.5 13.7 1.0 HG22 E:ILE2 3.6 14.6 1.0 H24 c:28J5 3.6 15.6 1.0 HG12 E:ILE2 3.7 15.7 1.0 HG22 b:ILE2 3.8 16.9 1.0 HG21 F:ILE6 3.9 13.7 1.0 HD13 a:ILE6 3.9 16.1 1.0 CG2 F:ILE6 4.1 13.5 1.0 H26 c:28J5 4.1 16.8 1.0 H22 c:28J5 4.2 15.3 1.0 HG23 E:ILE2 4.2 14.6 1.0 CD1 E:ILE2 4.3 17.2 1.0 HG23 F:ILE6 4.3 13.7 1.0 CG2 E:ILE2 4.3 14.5 1.0 CD2 G:HJY1 4.3 19.2 1.0 CD1 G:HJY1 4.3 18.3 1.0 CD1 c:ILE6 4.4 13.7 1.0 CG1 E:ILE2 4.4 15.4 1.0 CG2 c:28J5 4.5 15.8 1.0 HG13 c:ILE6 4.5 13.0 1.0 HD11 c:ILE6 4.6 13.4 1.0 HG21 b:ILE2 4.6 16.9 1.0 CG2 b:ILE2 4.6 17.0 1.0 HD11 E:ILE2 4.6 16.7 1.0 HG13 b:ILE2 4.7 18.0 1.0 CD1 a:ILE6 4.7 16.1 1.0 CB c:28J5 4.8 15.2 1.0 HD11 a:ILE6 4.8 16.1 1.0 HG22 a:ILE6 4.8 16.5 1.0 H23 c:28J5 4.9 15.6 1.0 CG G:HJY1 4.9 18.1 1.0 CG1 c:28J5 4.9 17.3 1.0 HD13 c:ILE6 5.0 13.4 1.0

Iodine binding site 8 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ H:I1 b:45.2 occ:1.00 I H:HJY1 0.0 45.2 1.0 CZ H:HJY1 2.1 29.6 1.0 CE2 H:HJY1 3.0 29.4 1.0 CE1 H:HJY1 3.1 27.6 1.0 HE2 H:HJY1 3.1 28.4 1.0 HE1 H:HJY1 3.1 27.2 1.0 HD13 J:ILE2 3.4 16.6 1.0 HD12 l:ILE6 3.6 11.8 1.0 HG22 I:ILE6 3.7 15.0 1.0 HG22 J:ILE2 3.7 14.6 1.0 HG22 m:ILE2 3.7 11.8 1.0 HG13 m:ILE2 3.8 11.6 1.0 HD11 l:ILE6 3.8 11.8 1.0 HG21 I:ILE6 4.0 15.0 1.0 CD1 l:ILE6 4.2 11.8 1.0 CG2 I:ILE6 4.3 15.2 1.0 CD1 J:ILE2 4.3 16.8 1.0 CD2 H:HJY1 4.4 25.5 1.0 I o:HJY1 4.4 43.3 1.0 CD1 H:HJY1 4.4 23.9 1.0 HG23 J:ILE2 4.4 14.6 1.0 CG2 J:ILE2 4.5 14.7 1.0 HG12 J:ILE2 4.5 15.8 1.0 CG1 m:ILE2 4.7 11.6 1.0 HD11 m:ILE2 4.7 11.6 1.0 CG2 m:ILE2 4.7 11.7 1.0 HD13 l:ILE6 4.7 11.8 1.0 HD11 J:ILE2 4.7 16.6 1.0 HG23 I:ILE6 4.8 15.0 1.0 HD12 J:ILE2 4.9 16.6 1.0 CG H:HJY1 4.9 23.3 1.0 CG1 J:ILE2 4.9 16.1 1.0

Iodine binding site 9 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ I:I1 b:52.7 occ:1.00 I I:HJY1 0.0 52.7 1.0 CZ I:HJY1 2.1 31.4 1.0 CE1 I:HJY1 3.0 28.5 1.0 HE1 I:HJY1 3.1 28.7 1.0 CE2 I:HJY1 3.1 28.6 1.0 HE2 I:HJY1 3.1 28.4 1.0 HD13 G:ILE2 3.1 22.6 1.0 HD12 e:ILE6 3.2 15.5 1.0 HD11 G:ILE2 3.2 22.6 1.0 HG22 H:ILE6 3.6 16.1 1.0 CD1 G:ILE2 3.6 23.3 1.0 HD13 d:ILE2 3.8 15.8 1.0 HG22 d:ILE2 3.9 14.5 1.0 HD12 G:ILE2 3.9 22.6 1.0 CD1 e:ILE6 4.0 15.9 1.0 HD11 e:ILE6 4.1 15.5 1.0 CD1 I:HJY1 4.3 27.2 1.0 CD2 I:HJY1 4.4 25.3 1.0 CG2 H:ILE6 4.4 16.4 1.0 HG22 G:ILE2 4.4 20.6 1.0 HD13 e:ILE6 4.5 15.5 1.0 I b:HJY1 4.5 47.2 1.0 HG23 H:ILE6 4.5 16.1 1.0 HD11 H:ILE6 4.6 16.9 1.0 HG21 H:ILE6 4.6 16.1 1.0 HB G:ILE2 4.6 19.9 1.0 HD13 H:ILE6 4.7 16.9 1.0 CD1 d:ILE2 4.7 15.9 1.0 CG2 d:ILE2 4.8 14.9 1.0 HG13 e:ILE6 4.9 14.9 1.0 CG I:HJY1 4.9 23.6 1.0 CG1 G:ILE2 4.9 21.2 1.0

Iodine binding site 10 out of 32 in the Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of A N-Me-P-Iodo-D-PHE1,N-Me-D-GLN4,LYS10-Teixobactin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ J:I1 b:37.6 occ:1.00 I J:HJY1 0.0 37.6 1.0 CZ J:HJY1 2.1 23.8 1.0 CE1 J:HJY1 3.0 19.3 1.0 CE2 J:HJY1 3.1 22.1 1.0 HE1 J:HJY1 3.1 20.8 1.0 HE2 J:HJY1 3.1 22.1 1.0 HD13 L:ILE2 3.2 14.3 1.0 HD12 n:ILE6 3.2 16.7 1.0 HG23 L:ILE2 3.4 12.1 1.0 H24 n:28J5 3.5 18.9 1.0 HG22 o:ILE2 3.7 13.2 1.0 HG22 K:ILE6 3.7 13.1 1.0 HD11 n:ILE6 3.8 16.7 1.0 HG21 K:ILE6 3.8 13.1 1.0 CD1 n:ILE6 4.0 17.3 1.0 H25 n:28J5 4.1 18.9 1.0 CD1 L:ILE2 4.1 14.7 1.0 HG22 L:ILE2 4.2 12.1 1.0 CG2 n:28J5 4.2 19.3 1.0 CG2 K:ILE6 4.2 13.2 1.0 CG2 L:ILE2 4.2 12.3 1.0 H22 n:28J5 4.3 18.3 1.0 HG12 L:ILE2 4.3 13.2 1.0 CD1 J:HJY1 4.3 20.9 1.0 H26 n:28J5 4.4 19.3 1.0 CD2 J:HJY1 4.4 20.4 1.0 HG21 o:ILE2 4.5 13.2 1.0 HD13 p:ILE6 4.5 11.3 1.0 CG2 o:ILE2 4.5 13.1 1.0 HD13 n:ILE6 4.6 16.7 1.0 HD11 L:ILE2 4.6 14.3 1.0 HD12 L:ILE2 4.6 14.3 1.0 HG23 K:ILE6 4.6 13.1 1.0 HD11 p:ILE6 4.7 11.3 1.0 HG13 n:ILE6 4.7 15.6 1.0 CG1 L:ILE2 4.7 13.3 1.0 CB n:28J5 4.7 18.3 1.0 HG21 L:ILE2 4.9 12.1 1.0 HD12 J:ILE2 4.9 16.6 1.0 CG J:HJY1 4.9 19.6 1.0 HG13 o:ILE2 4.9 13.5 1.0 CG1 n:ILE6 5.0 15.6 1.0 H23 n:28J5 5.0 18.9 1.0 CD1 p:ILE6 5.0 11.4 1.0

H.Yang, M.Wierzbicki, D.R.Du Bois, J.S.Nowick. X-Ray Crystallographic Structure of A Teixobactin Derivative Reveals Amyloid-Like Assembly. J. Am. Chem. Soc. V. 140 14028 2018.
ISSN: ESSN 1520-5126
PubMed: 30296063
DOI: 10.1021/JACS.8B07709