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

Protein crystallography data

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

Iodine Binding Sites:

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 6e00

Go back to Iodine Binding Sites List in 6e00
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 6e00

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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 6e00

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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 6e00

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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 6e00

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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 6e00

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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 6e00

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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 6e00

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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 6e00

Go back to Iodine Binding Sites List in 6e00
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 6e00

Go back to Iodine Binding Sites List in 6e00
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

Reference:

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
Page generated: Sun Dec 13 19:43:45 2020

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