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Bromine in PDB 1e5a: Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding

Protein crystallography data

The structure of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding, PDB code: 1e5a was solved by M.Ghosh, I.A.T.M.Meerts, A.Cook, A.Bergman, A.Brouwer, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 42.800, 84.900, 64.400, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 26.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding (pdb code 1e5a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding, PDB code: 1e5a:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 1 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br999

b:50.7
occ:0.50
BR2 A:TBP999 0.0 50.7 0.5
C2 A:TBP999 1.8 33.6 0.5
C1 A:TBP999 2.9 47.3 0.5
C3 A:TBP999 2.9 51.5 0.5
O1 A:TBP999 3.0 54.8 0.5
CD1 A:LEU17 3.6 17.2 0.8
NZ A:LYS15 4.1 21.9 0.7
C6 A:TBP999 4.2 36.2 0.5
C4 A:TBP999 4.2 46.8 0.5
CE A:LYS15 4.2 20.3 0.7
C5 A:TBP999 4.6 43.5 0.5
CG A:LEU17 4.7 13.1 1.0
CD2 A:LEU17 4.8 12.7 0.8

Bromine binding site 2 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 2 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br999

b:51.4
occ:0.50
BR4 A:TBP999 0.0 51.4 0.5
C4 A:TBP999 1.9 46.8 0.5
C3 A:TBP999 2.8 51.5 0.5
C5 A:TBP999 2.9 43.5 0.5
O A:HOH2083 3.9 21.5 1.0
C6 A:TBP999 4.1 36.2 0.5
C2 A:TBP999 4.2 33.6 0.5
OG1 A:THR119 4.3 21.9 0.8
CB A:ALA108 4.4 18.3 1.0
C1 A:TBP999 4.7 47.3 0.5
CB A:THR119 4.7 20.9 1.0

Bromine binding site 3 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 3 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br999

b:41.1
occ:0.50
BR6 A:TBP999 0.0 41.1 0.5
C6 A:TBP999 1.9 36.2 0.5
C1 A:TBP999 2.8 47.3 0.5
C5 A:TBP999 2.9 43.5 0.5
O1 A:TBP999 3.0 54.8 0.5
CG2 A:THR106 4.1 17.1 1.0
C4 A:TBP999 4.1 46.8 0.5
C2 A:TBP999 4.2 33.6 0.5
CB A:ALA108 4.4 18.3 1.0
CD A:LYS15 4.4 22.3 1.0
CG2 A:VAL121 4.5 16.7 1.0
C3 A:TBP999 4.6 51.5 0.5

Bromine binding site 4 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 4 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br999

b:52.4
occ:0.50
BR2 B:TBP999 0.0 52.4 0.5
C2 B:TBP999 1.8 56.9 0.5
C1 B:TBP999 2.9 50.9 0.5
C3 B:TBP999 2.9 34.8 0.5
O1 B:TBP999 3.0 51.5 0.5
CG2 B:THR106 3.9 20.5 1.0
C6 B:TBP999 4.2 49.2 0.5
C4 B:TBP999 4.2 33.1 0.5
CD B:LYS15 4.5 22.8 0.8
C5 B:TBP999 4.6 46.2 0.5
CG2 B:VAL121 4.6 22.8 1.0
CB B:ALA108 4.7 18.4 1.0
CB B:THR106 4.8 19.1 1.0

Bromine binding site 5 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 5 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br999

b:38.1
occ:0.50
BR4 B:TBP999 0.0 38.1 0.5
C4 B:TBP999 1.9 33.1 0.5
C3 B:TBP999 2.8 34.8 0.5
C5 B:TBP999 2.9 46.2 0.5
O B:HOH2024 3.3 3.7 0.5
O B:HOH2060 3.8 25.5 1.0
CB B:ALA108 4.0 18.4 1.0
C6 B:TBP999 4.1 49.2 0.5
C2 B:TBP999 4.2 56.9 0.5
OG1 B:THR119 4.3 17.4 0.8
CB B:THR119 4.5 18.8 1.0
C1 B:TBP999 4.7 50.9 0.5

Bromine binding site 6 out of 6 in 1e5a

Go back to Bromine Binding Sites List in 1e5a
Bromine binding site 6 out of 6 in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br999

b:46.6
occ:0.50
BR6 B:TBP999 0.0 46.6 0.5
C6 B:TBP999 1.9 49.2 0.5
C1 B:TBP999 2.8 50.9 0.5
C5 B:TBP999 2.9 46.2 0.5
O1 B:TBP999 3.0 51.5 0.5
CD1 B:LEU17 3.7 22.2 1.0
NZ B:LYS15 3.9 26.5 0.8
C4 B:TBP999 4.1 33.1 0.5
C2 B:TBP999 4.2 56.9 0.5
CE B:LYS15 4.2 24.2 0.8
C3 B:TBP999 4.6 34.8 0.5
CG B:LEU17 4.7 19.7 1.0
CD2 B:LEU17 4.7 20.4 1.0
CD B:LYS15 4.9 22.8 0.8

Reference:

M.Ghosh, I.A.T.M.Meerts, A.Cook, A.Bergman, A.Brouwer, L.N.Johnson. Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding Acta Crystallogr.,Sect.D V. 56 1085 2000.
ISSN: ISSN 0907-4449
PubMed: 10957627
DOI: 10.1107/S0907444900008568
Page generated: Sat Dec 12 02:00:02 2020

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