Bromine in PDB 8zlo: F0502B-Bound E46K Alpha-Synuclein Fibril

Other elements in 8zlo:

The structure of F0502B-Bound E46K Alpha-Synuclein Fibril also contains other interesting chemical elements:

Fluorine (F) 10 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the F0502B-Bound E46K Alpha-Synuclein Fibril (pdb code 8zlo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the F0502B-Bound E46K Alpha-Synuclein Fibril, PDB code: 8zlo:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 8zlo

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Bromine binding site 1 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br101

b:105.5
occ:1.00
 BR2 E:1KI101 0.0 105.5 1.0
C21 E:1KI101 1.9 105.5 1.0
C20 E:1KI101 2.9 105.5 1.0
C23 E:1KI101 2.9 105.5 1.0
CE1 A:HIS50 2.9 194.9 1.0
O24 E:1KI101 3.1 105.5 1.0
CE1 I:HIS50 3.2 194.9 1.0
ND1 A:HIS50 3.3 194.9 1.0
NE2 I:HIS50 3.7 194.9 1.0
NE2 A:HIS50 3.8 194.9 1.0
C19 E:1KI101 4.2 105.5 1.0
ND1 I:HIS50 4.2 194.9 1.0
C25 E:1KI101 4.2 105.5 1.0
CG A:HIS50 4.3 194.9 1.0
CD2 A:HIS50 4.5 194.9 1.0
C26 E:1KI101 4.7 105.5 1.0
BR2 J:1KI101 4.7 105.5 1.0
CD2 I:HIS50 4.8 194.9 1.0
O A:GLY51 4.9 179.5 1.0
C20 I:1KI103 4.9 105.5 1.0
C21 I:1KI103 4.9 105.5 1.0
O I:HIS50 4.9 194.9 1.0
BR2 I:1KI103 4.9 105.5 1.0

Bromine binding site 2 out of 10 in 8zlo

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Bromine binding site 2 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br101

b:105.5
occ:1.00
 BR2 F:1KI101 0.0 105.5 1.0
C21 F:1KI101 1.9 105.5 1.0
C20 F:1KI101 2.9 105.5 1.0
C23 F:1KI101 2.9 105.5 1.0
CE1 C:HIS50 2.9 194.9 1.0
O24 F:1KI101 3.1 105.5 1.0
CE1 G:HIS50 3.2 194.9 1.0
ND1 C:HIS50 3.3 194.9 1.0
NE2 G:HIS50 3.7 194.9 1.0
NE2 C:HIS50 3.8 194.9 1.0
C19 F:1KI101 4.2 105.5 1.0
ND1 G:HIS50 4.2 194.9 1.0
C25 F:1KI101 4.2 105.5 1.0
CG C:HIS50 4.3 194.9 1.0
CD2 C:HIS50 4.5 194.9 1.0
C26 F:1KI101 4.7 105.5 1.0
BR2 H:1KI101 4.7 105.5 1.0
CD2 G:HIS50 4.8 194.9 1.0
O C:GLY51 4.9 179.5 1.0
C20 G:1KI103 4.9 105.5 1.0
C21 G:1KI103 4.9 105.5 1.0
O G:HIS50 4.9 194.9 1.0
BR2 G:1KI103 4.9 105.5 1.0

Bromine binding site 3 out of 10 in 8zlo

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Bromine binding site 3 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br101

b:61.8
occ:1.00
 BR2 G:1KI101 0.0 61.8 1.0
C21 G:1KI101 1.9 61.8 1.0
O H:GLY86 2.3 161.9 1.0
C23 G:1KI101 2.9 61.8 1.0
C20 G:1KI101 2.9 61.8 1.0
C H:GLY86 3.0 161.9 1.0
O24 G:1KI101 3.0 61.8 1.0
CA H:GLY86 3.6 161.9 1.0
CD1 H:ILE88 3.7 146.1 1.0
O O:GLY86 3.9 161.9 1.0
N H:SER87 4.0 154.3 1.0
N H:GLY86 4.1 161.9 1.0
C25 G:1KI101 4.2 61.8 1.0
C19 G:1KI101 4.2 61.8 1.0
CD1 O:ILE88 4.4 146.1 1.0
CA H:SER87 4.6 154.3 1.0
C26 G:1KI101 4.7 61.8 1.0
C H:SER87 4.8 154.3 1.0
N H:ILE88 4.8 146.1 1.0
CG1 H:ILE88 4.9 146.1 1.0

Bromine binding site 4 out of 10 in 8zlo

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Bromine binding site 4 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br102

b:97.6
occ:1.00
 BR2 G:1KI102 0.0 97.6 1.0
C21 G:1KI102 1.9 97.6 1.0
C20 G:1KI102 2.9 97.6 1.0
C23 G:1KI102 2.9 97.6 1.0
O24 G:1KI102 3.1 97.6 1.0
CA O:GLY47 3.5 202.0 1.0
C O:GLY47 3.9 202.0 1.0
CG1 H:VAL55 4.0 156.3 1.0
O O:GLY47 4.1 202.0 1.0
N O:GLY47 4.1 202.0 1.0
CG2 H:VAL55 4.2 156.3 1.0
C25 G:1KI102 4.2 97.6 1.0
C19 G:1KI102 4.2 97.6 1.0
CB H:VAL55 4.7 156.3 1.0
C26 G:1KI102 4.7 97.6 1.0
N O:VAL48 4.8 197.3 1.0
CG1 O:VAL55 4.8 156.3 1.0
CB O:VAL55 4.9 156.3 1.0
CG1 O:VAL49 4.9 192.3 1.0
CA H:GLY47 4.9 202.0 1.0
CG2 O:VAL55 4.9 156.3 1.0
C O:LYS46 4.9 203.1 1.0

Bromine binding site 5 out of 10 in 8zlo

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Bromine binding site 5 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br103

b:105.5
occ:1.00
 BR2 G:1KI103 0.0 105.5 1.0
C21 G:1KI103 1.9 105.5 1.0
CE1 D:HIS50 2.8 194.9 1.0
C20 G:1KI103 2.9 105.5 1.0
C23 G:1KI103 2.9 105.5 1.0
O24 G:1KI103 3.1 105.5 1.0
CE1 C:HIS50 3.1 194.9 1.0
ND1 D:HIS50 3.2 194.9 1.0
NE2 C:HIS50 3.5 194.9 1.0
NE2 D:HIS50 3.6 194.9 1.0
ND1 C:HIS50 4.1 194.9 1.0
CG D:HIS50 4.2 194.9 1.0
C19 G:1KI103 4.2 105.5 1.0
C25 G:1KI103 4.2 105.5 1.0
CD2 D:HIS50 4.4 194.9 1.0
CD2 C:HIS50 4.6 194.9 1.0
C26 G:1KI103 4.7 105.5 1.0
O C:HIS50 4.8 194.9 1.0
O D:GLY51 4.9 179.5 1.0
BR2 F:1KI101 4.9 105.5 1.0
CG C:HIS50 4.9 194.9 1.0

Bromine binding site 6 out of 10 in 8zlo

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Bromine binding site 6 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br101

b:105.5
occ:1.00
 BR2 H:1KI101 0.0 105.5 1.0
C21 H:1KI101 1.9 105.5 1.0
C20 H:1KI101 2.9 105.5 1.0
CE1 G:HIS50 2.9 194.9 1.0
C23 H:1KI101 2.9 105.5 1.0
O24 H:1KI101 3.1 105.5 1.0
ND1 G:HIS50 3.4 194.9 1.0
CE1 F:HIS50 3.5 194.9 1.0
NE2 G:HIS50 3.7 194.9 1.0
NE2 F:HIS50 3.9 194.9 1.0
C19 H:1KI101 4.2 105.5 1.0
C25 H:1KI101 4.2 105.5 1.0
CG G:HIS50 4.4 194.9 1.0
ND1 F:HIS50 4.5 194.9 1.0
CD2 G:HIS50 4.6 194.9 1.0
C26 H:1KI101 4.7 105.5 1.0
BR2 F:1KI101 4.7 105.5 1.0
C21 F:1KI101 4.8 105.5 1.0
C20 F:1KI101 4.8 105.5 1.0
O G:GLY51 5.0 179.5 1.0

Bromine binding site 7 out of 10 in 8zlo

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Bromine binding site 7 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br101

b:61.8
occ:1.00
 BR2 I:1KI101 0.0 61.8 1.0
C21 I:1KI101 1.9 61.8 1.0
O J:GLY86 2.3 161.9 1.0
C23 I:1KI101 2.9 61.8 1.0
C20 I:1KI101 2.9 61.8 1.0
C J:GLY86 3.0 161.9 1.0
O24 I:1KI101 3.0 61.8 1.0
CA J:GLY86 3.6 161.9 1.0
CD1 J:ILE88 3.7 146.1 1.0
O T:GLY86 3.9 161.9 1.0
N J:SER87 4.0 154.3 1.0
N J:GLY86 4.1 161.9 1.0
C25 I:1KI101 4.2 61.8 1.0
C19 I:1KI101 4.2 61.8 1.0
CD1 T:ILE88 4.4 146.1 1.0
CA J:SER87 4.6 154.3 1.0
C26 I:1KI101 4.7 61.8 1.0
C J:SER87 4.8 154.3 1.0
N J:ILE88 4.8 146.1 1.0
CG1 J:ILE88 4.9 146.1 1.0

Bromine binding site 8 out of 10 in 8zlo

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Bromine binding site 8 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br102

b:97.6
occ:1.00
 BR2 I:1KI102 0.0 97.6 1.0
C21 I:1KI102 1.9 97.6 1.0
C20 I:1KI102 2.9 97.6 1.0
C23 I:1KI102 2.9 97.6 1.0
O24 I:1KI102 3.1 97.6 1.0
CA T:GLY47 3.5 202.0 1.0
C T:GLY47 3.9 202.0 1.0
CG1 J:VAL55 4.0 156.3 1.0
O T:GLY47 4.1 202.0 1.0
N T:GLY47 4.1 202.0 1.0
CG2 J:VAL55 4.2 156.3 1.0
C25 I:1KI102 4.2 97.6 1.0
C19 I:1KI102 4.2 97.6 1.0
CB J:VAL55 4.7 156.3 1.0
C26 I:1KI102 4.7 97.6 1.0
N T:VAL48 4.8 197.3 1.0
CG1 T:VAL55 4.8 156.3 1.0
CB T:VAL55 4.9 156.3 1.0
CG1 T:VAL49 4.9 192.3 1.0
CA J:GLY47 4.9 202.0 1.0
CG2 T:VAL55 4.9 156.3 1.0
C T:LYS46 4.9 203.1 1.0

Bromine binding site 9 out of 10 in 8zlo

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Bromine binding site 9 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br103

b:105.5
occ:1.00
 BR2 I:1KI103 0.0 105.5 1.0
C21 I:1KI103 1.9 105.5 1.0
CE1 B:HIS50 2.8 194.9 1.0
C20 I:1KI103 2.9 105.5 1.0
C23 I:1KI103 2.9 105.5 1.0
O24 I:1KI103 3.1 105.5 1.0
CE1 A:HIS50 3.1 194.9 1.0
ND1 B:HIS50 3.2 194.9 1.0
NE2 A:HIS50 3.5 194.9 1.0
NE2 B:HIS50 3.6 194.9 1.0
ND1 A:HIS50 4.1 194.9 1.0
CG B:HIS50 4.2 194.9 1.0
C19 I:1KI103 4.2 105.5 1.0
C25 I:1KI103 4.2 105.5 1.0
CD2 B:HIS50 4.4 194.9 1.0
CD2 A:HIS50 4.6 194.9 1.0
C26 I:1KI103 4.7 105.5 1.0
O A:HIS50 4.8 194.9 1.0
O B:GLY51 4.9 179.5 1.0
BR2 E:1KI101 4.9 105.5 1.0
CG A:HIS50 4.9 194.9 1.0

Bromine binding site 10 out of 10 in 8zlo

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Bromine binding site 10 out of 10 in the F0502B-Bound E46K Alpha-Synuclein Fibril


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of F0502B-Bound E46K Alpha-Synuclein Fibril within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Br101

b:105.5
occ:1.00
 BR2 J:1KI101 0.0 105.5 1.0
C21 J:1KI101 1.9 105.5 1.0
C20 J:1KI101 2.9 105.5 1.0
CE1 I:HIS50 2.9 194.9 1.0
C23 J:1KI101 2.9 105.5 1.0
O24 J:1KI101 3.1 105.5 1.0
ND1 I:HIS50 3.4 194.9 1.0
CE1 E:HIS50 3.5 194.9 1.0
NE2 I:HIS50 3.7 194.9 1.0
NE2 E:HIS50 3.9 194.9 1.0
C19 J:1KI101 4.2 105.5 1.0
C25 J:1KI101 4.2 105.5 1.0
CG I:HIS50 4.4 194.9 1.0
ND1 E:HIS50 4.5 194.9 1.0
CD2 I:HIS50 4.6 194.9 1.0
C26 J:1KI101 4.7 105.5 1.0
BR2 E:1KI101 4.7 105.5 1.0
C21 E:1KI101 4.8 105.5 1.0
C20 E:1KI101 4.8 105.5 1.0
O I:GLY51 5.0 179.5 1.0

Reference:

K.Liu, Y.Tao, Q.Zhao, W.Xia, X.Li, S.Zhang, Y.Yao, H.Xiang, C.Han, L.Tan, B.Sun, D.Li, A.Li, C.Liu. Binding Adaptability of Chemical Ligands to Polymorphic Alpha-Synuclein Amyloid Fibrils. Proc.Natl.Acad.Sci.Usa V. 121 33121 2024.
ISSN: ESSN 1091-6490
PubMed: 39172784
DOI: 10.1073/PNAS.2321633121
Page generated: Sat Sep 28 08:40:24 2024

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