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Fluorine in PDB 1znt: 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose (pdb code 1znt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose, PDB code: 1znt:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1znt

Go back to Fluorine Binding Sites List in 1znt
Fluorine binding site 1 out of 2 in the 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F18

b:0.0
occ:1.00
F A:PFF18 0.0 0.0 1.0
CZ A:PFF18 1.4 0.0 1.0
HO6 A:NAG32 2.3 0.0 1.0
CE2 A:PFF18 2.4 0.0 1.0
CE1 A:PFF18 2.4 0.0 1.0
HE2 A:PFF18 2.6 0.0 1.0
HE1 A:PFF18 2.6 0.0 1.0
H82 A:NAG33 2.8 0.0 1.0
O6 A:NAG32 3.0 0.0 1.0
H1 A:NAG33 3.5 0.0 1.0
C7 A:NAG33 3.5 0.0 1.0
C8 A:NAG33 3.5 0.0 1.0
H61 A:NAG32 3.6 0.0 1.0
CD2 A:PFF18 3.7 0.0 1.0
CD1 A:PFF18 3.7 0.0 1.0
N2 A:NAG33 3.7 0.0 1.0
HN2 A:NAG33 3.7 0.0 1.0
C6 A:NAG32 3.9 0.0 1.0
H81 A:NAG33 3.9 0.0 1.0
O7 A:NAG33 4.0 0.0 1.0
H3 A:NAG33 4.1 0.0 1.0
CG A:PFF18 4.2 0.0 1.0
H62 A:NAG32 4.3 0.0 1.0
C1 A:NAG33 4.3 0.0 1.0
H83 A:NAG33 4.4 0.0 1.0
C2 A:NAG33 4.5 0.0 1.0
HD1 A:PFF18 4.5 0.0 1.0
HD2 A:PFF18 4.5 0.0 1.0
H4 A:NAG32 4.8 0.0 1.0
O4 A:NAG32 4.8 0.0 1.0
C3 A:NAG33 4.8 0.0 1.0
H5 A:NAG33 5.0 0.0 1.0

Fluorine binding site 2 out of 2 in 1znt

Go back to Fluorine Binding Sites List in 1znt
Fluorine binding site 2 out of 2 in the 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 18 uc(Nmr) Structures of ACAMP2-Like Peptide with Non Natural Fluoroaromatic Residue (ACAMP2F18PFF/Y20PFF) Complex with N,N,N- Triacetylchitotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F20

b:0.0
occ:1.00
F A:PFF20 0.0 0.0 1.0
CZ A:PFF20 1.4 0.0 1.0
CE2 A:PFF20 2.4 0.0 1.0
CE1 A:PFF20 2.4 0.0 1.0
HE1 A:PFF20 2.6 0.0 1.0
HE2 A:PFF20 2.6 0.0 1.0
H62 A:NAG34 3.0 0.0 1.0
CD2 A:PFF20 3.7 0.0 1.0
CD1 A:PFF20 3.7 0.0 1.0
HB3 A:GLU3 3.7 0.0 1.0
HO6 A:NAG34 3.9 0.0 1.0
C6 A:NAG34 3.9 0.0 1.0
H4 A:NAG34 4.0 0.0 1.0
O6 A:NAG34 4.0 0.0 1.0
CG A:PFF20 4.2 0.0 1.0
H3 A:VAL1 4.5 0.0 1.0
HO4 A:NAG34 4.5 0.0 1.0
HD2 A:PFF20 4.5 0.0 1.0
HD1 A:PFF20 4.6 0.0 1.0
OE1 A:GLU3 4.6 0.0 1.0
H61 A:NAG34 4.6 0.0 1.0
CB A:GLU3 4.7 0.0 1.0
C4 A:NAG34 4.8 0.0 1.0
H2 A:VAL1 4.9 0.0 1.0
C5 A:NAG34 4.9 0.0 1.0
HB2 A:GLU3 4.9 0.0 1.0
O4 A:NAG34 5.0 0.0 1.0

Reference:

M.I.Chavez, C.Andreu, P.Vidal, N.Aboitiz, F.Freire, P.Groves, J.L.Asensio, G.Asensio, M.Muraki, F.J.Canada, J.Jimenez-Barbero. On the Importance of Carbohydrate-Aromatic Interactions For the Molecular Recognition of Oligosaccharides By Proteins: uc(Nmr) Studies of the Structure and Binding Affinity of ACAMP2-Like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues Chemistry V. 11 7060 2005.
ISSN: ISSN 0947-6539
PubMed: 16220560
DOI: 10.1002/CHEM.200500367
Page generated: Wed Jul 31 13:39:10 2024

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