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Bromine in PDB 1e4h: 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: 1e4h 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 (°) 43.000, 85.400, 64.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 23.5

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 1e4h). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Structure of Human Transthyretin Complexed with Bromophenols: A New Mode of Binding, PDB code: 1e4h:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 1e4h

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Bromine binding site 1 out of 10 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:Br998

b:36.7
occ:0.50
BR1 A:PBR998 0.0 36.7 0.5
C1 A:PBR998 1.9 46.7 0.5
C6 A:PBR998 2.9 35.4 0.5
C2 A:PBR998 2.9 34.3 0.5
O1 A:PBR998 3.0 27.7 0.5
BR2 A:PBR998 3.3 42.3 0.5
CG2 B:VAL121 3.9 18.5 1.0
O A:HOH2084 3.9 18.3 1.0
CB B:ALA108 4.0 16.7 1.0
C5 A:PBR998 4.2 46.7 0.5
C3 A:PBR998 4.2 33.4 0.5
C4 A:PBR998 4.7 34.3 0.5
CB B:VAL121 4.9 21.6 1.0
CG2 B:THR106 4.9 20.1 1.0

Bromine binding site 2 out of 10 in 1e4h

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Bromine binding site 2 out of 10 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:Br998

b:42.3
occ:0.50
BR2 A:PBR998 0.0 42.3 0.5
C2 A:PBR998 1.9 34.3 0.5
C1 A:PBR998 2.9 46.7 0.5
C3 A:PBR998 2.9 33.4 0.5
BR1 A:PBR998 3.3 36.7 0.5
BR3 A:PBR998 3.3 39.4 0.5
CB B:THR119 3.6 16.4 1.0
CB B:ALA108 3.7 16.7 1.0
OG1 B:THR119 3.7 16.7 1.0
CG2 B:THR119 3.9 17.9 1.0
O B:HOH2062 4.2 19.0 1.0
C6 A:PBR998 4.2 35.4 0.5
C4 A:PBR998 4.2 34.3 0.5
O B:HOH2058 4.4 15.2 1.0
CG2 B:VAL121 4.6 18.5 1.0
C5 A:PBR998 4.7 46.7 0.5
CA B:THR119 4.9 13.8 1.0

Bromine binding site 3 out of 10 in 1e4h

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Bromine binding site 3 out of 10 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:Br998

b:39.4
occ:0.50
BR3 A:PBR998 0.0 39.4 0.5
C3 A:PBR998 1.9 33.4 0.5
C2 A:PBR998 2.9 34.3 0.5
C4 A:PBR998 2.9 34.3 0.5
O B:HOH2058 3.3 15.2 1.0
BR4 A:PBR998 3.3 42.3 0.5
BR2 A:PBR998 3.3 42.3 0.5
O B:HOH2062 3.6 19.0 1.0
CD2 B:LEU110 4.2 16.2 1.0
C1 A:PBR998 4.2 46.7 0.5
C5 A:PBR998 4.2 46.7 0.5
CB B:LEU110 4.3 12.8 1.0
C6 A:PBR998 4.7 35.4 0.5
OG B:SER117 4.8 17.6 1.0
CG B:LEU110 4.8 14.4 1.0
OG1 B:THR119 4.9 16.7 1.0

Bromine binding site 4 out of 10 in 1e4h

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Bromine binding site 4 out of 10 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
A:Br998

b:42.3
occ:0.50
BR4 A:PBR998 0.0 42.3 0.5
C4 A:PBR998 1.9 34.3 0.5
C5 A:PBR998 2.9 46.7 0.5
C3 A:PBR998 2.9 33.4 0.5
CD1 B:LEU17 3.2 24.1 1.0
BR5 A:PBR998 3.3 39.4 0.5
BR3 A:PBR998 3.3 39.4 0.5
O B:HOH2058 3.8 15.2 1.0
CD1 B:LEU110 4.2 14.4 1.0
C6 A:PBR998 4.2 35.4 0.5
C2 A:PBR998 4.2 34.3 0.5
CG B:LEU17 4.4 20.9 1.0
CB B:LEU17 4.5 15.5 1.0
CD2 B:LEU110 4.7 16.2 1.0
C1 A:PBR998 4.7 46.7 0.5
CG B:LEU110 4.9 14.4 1.0

Bromine binding site 5 out of 10 in 1e4h

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Bromine binding site 5 out of 10 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
A:Br998

b:39.4
occ:0.50
BR5 A:PBR998 0.0 39.4 0.5
C5 A:PBR998 1.9 46.7 0.5
C6 A:PBR998 2.9 35.4 0.5
C4 A:PBR998 2.9 34.3 0.5
O1 A:PBR998 3.0 27.7 0.5
CD1 B:LEU17 3.1 24.1 1.0
BR4 A:PBR998 3.3 42.3 0.5
NZ B:LYS15 3.6 28.6 1.0
O B:HOH2003 3.6 34.5 1.0
CE B:LYS15 3.9 27.5 1.0
CD2 B:LEU17 4.0 20.0 1.0
CG B:LEU17 4.1 20.9 1.0
C1 A:PBR998 4.2 46.7 0.5
C3 A:PBR998 4.2 33.4 0.5
O A:HOH2084 4.2 18.3 1.0
C2 A:PBR998 4.7 34.3 0.5
CD B:LYS15 4.9 27.8 1.0

Bromine binding site 6 out of 10 in 1e4h

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Bromine binding site 6 out of 10 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:38.8
occ:0.50
BR1 B:PBR999 0.0 38.8 0.5
C1 B:PBR999 1.9 33.6 0.5
C6 B:PBR999 2.8 27.7 0.5
C2 B:PBR999 2.9 32.9 0.5
O1 B:PBR999 3.0 43.7 0.5
BR2 B:PBR999 3.3 34.3 0.5
CG2 A:VAL121 4.0 16.6 1.0
C5 B:PBR999 4.1 33.6 0.5
C3 B:PBR999 4.2 32.9 0.5
CB A:ALA108 4.2 17.3 1.0
C4 B:PBR999 4.7 32.9 0.5
CG2 A:THR106 4.7 18.4 1.0

Bromine binding site 7 out of 10 in 1e4h

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Bromine binding site 7 out of 10 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 7 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:34.3
occ:0.50
BR2 B:PBR999 0.0 34.3 0.5
C2 B:PBR999 1.9 32.9 0.5
C3 B:PBR999 2.9 32.9 0.5
C1 B:PBR999 2.9 33.6 0.5
BR3 B:PBR999 3.3 24.6 0.5
BR1 B:PBR999 3.3 38.8 0.5
CB A:THR119 3.5 17.6 1.0
OG1 A:THR119 3.7 16.6 1.0
CG2 A:THR119 3.8 17.7 1.0
CB A:ALA108 3.8 17.3 1.0
C6 B:PBR999 4.2 27.7 0.5
C4 B:PBR999 4.2 32.9 0.5
O A:HOH2079 4.3 18.0 1.0
C5 B:PBR999 4.7 33.6 0.5
CG2 A:VAL121 4.8 16.6 1.0
CA A:THR119 4.8 16.4 1.0

Bromine binding site 8 out of 10 in 1e4h

Go back to Bromine Binding Sites List in 1e4h
Bromine binding site 8 out of 10 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 8 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:24.6
occ:0.50
BR3 B:PBR999 0.0 24.6 0.5
C3 B:PBR999 1.9 32.9 0.5
C4 B:PBR999 2.9 32.9 0.5
C2 B:PBR999 2.9 32.9 0.5
BR2 B:PBR999 3.3 34.3 0.5
BR4 B:PBR999 3.3 34.3 0.5
O A:HOH2079 3.5 18.0 1.0
C5 B:PBR999 4.2 33.6 0.5
C1 B:PBR999 4.2 33.6 0.5
CD2 A:LEU110 4.4 19.2 1.0
CB A:LEU110 4.5 15.2 1.0
C6 B:PBR999 4.7 27.7 0.5
OG1 A:THR119 4.8 16.6 1.0
CG A:LEU110 4.9 16.3 1.0

Bromine binding site 9 out of 10 in 1e4h

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Bromine binding site 9 out of 10 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 9 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:34.3
occ:0.50
BR4 B:PBR999 0.0 34.3 0.5
C4 B:PBR999 1.9 32.9 0.5
C3 B:PBR999 2.9 32.9 0.5
C5 B:PBR999 2.9 33.6 0.5
BR3 B:PBR999 3.3 24.6 0.5
BR5 B:PBR999 3.3 38.8 0.5
CG A:LEU17 4.0 15.2 1.0
C6 B:PBR999 4.2 27.7 0.5
C2 B:PBR999 4.2 32.9 0.5
CD2 A:LEU17 4.2 16.7 1.0
CD1 A:LEU110 4.3 14.9 1.0
CB A:LEU17 4.7 14.6 1.0
C1 B:PBR999 4.7 33.6 0.5
CD2 A:LEU110 4.8 19.2 1.0

Bromine binding site 10 out of 10 in 1e4h

Go back to Bromine Binding Sites List in 1e4h
Bromine binding site 10 out of 10 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 10 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:38.8
occ:0.50
BR5 B:PBR999 0.0 38.8 0.5
C5 B:PBR999 1.9 33.6 0.5
C6 B:PBR999 2.8 27.7 0.5
C4 B:PBR999 2.9 32.9 0.5
O1 B:PBR999 3.0 43.7 0.5
BR4 B:PBR999 3.3 34.3 0.5
O A:HOH2005 3.5 50.2 1.0
CE A:LYS15 3.7 28.2 1.0
CG A:LEU17 4.0 15.2 1.0
C1 B:PBR999 4.1 33.6 0.5
CD1 A:LEU17 4.2 14.2 1.0
C3 B:PBR999 4.2 32.9 0.5
CD2 A:LEU17 4.2 16.7 1.0
CD A:LYS15 4.6 23.8 1.0
C2 B:PBR999 4.7 32.9 0.5
NZ A:LYS15 4.7 34.6 1.0

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 01:59:59 2020

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