Atomistry » Bromine » PDB 1e7b-1ih6 » 1f1t
Atomistry »
  Bromine »
    PDB 1e7b-1ih6 »
      1f1t »

Bromine in PDB 1f1t: Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine

Protein crystallography data

The structure of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine, PDB code: 1f1t was solved by C.Baugh, D.Grate, C.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 9.00 / 2.80
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.297, 55.297, 143.920, 90.00, 90.00, 120.00
R / Rfree (%) 26.1 / 28.2

Other elements in 1f1t:

The structure of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine also contains other interesting chemical elements:

Strontium (Sr) 8 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine (pdb code 1f1t). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine, PDB code: 1f1t:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 1f1t

Go back to Bromine Binding Sites List in 1f1t
Bromine binding site 1 out of 5 in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4

b:61.9
occ:1.00
BR A:5BU4 0.0 61.9 1.0
C5 A:5BU4 1.9 59.1 1.0
C6 A:5BU4 2.8 58.7 1.0
C4 A:5BU4 2.8 58.8 1.0
O4 A:5BU4 3.1 58.4 1.0
N7 A:A3 3.4 61.5 1.0
OP2 A:5BU4 3.6 59.6 1.0
C8 A:A3 3.6 61.7 1.0
C5 A:A3 3.7 61.4 1.0
N9 A:A3 4.0 61.7 1.0
N3 A:5BU4 4.1 58.1 1.0
N1 A:5BU4 4.1 57.7 1.0
C4 A:A3 4.1 61.5 1.0
C3' A:A3 4.3 61.8 1.0
C6 A:A3 4.3 61.3 1.0
O5' A:5BU4 4.4 58.7 1.0
O A:HOH305 4.5 20.3 1.0
P A:5BU4 4.5 59.6 1.0
C2' A:A3 4.6 61.9 1.0
C2 A:5BU4 4.7 58.0 1.0
N6 A:A3 4.7 61.1 1.0
O5' A:A3 4.7 66.2 1.0
C1' A:A3 4.9 62.0 1.0
N3 A:A3 5.0 61.3 1.0
O3' A:A3 5.0 60.5 1.0

Bromine binding site 2 out of 5 in 1f1t

Go back to Bromine Binding Sites List in 1f1t
Bromine binding site 2 out of 5 in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br11

b:48.6
occ:1.00
BR A:5BU11 0.0 48.6 1.0
C5 A:5BU11 1.9 46.5 1.0
C6 A:5BU11 2.8 46.2 1.0
C4 A:5BU11 2.8 46.2 1.0
O4 A:5BU11 3.1 46.0 1.0
N1 A:C10 3.5 40.5 1.0
C6 A:C10 3.5 40.3 1.0
C2 A:C10 3.6 40.4 1.0
C5 A:C10 3.7 40.3 1.0
OP2 A:5BU11 3.7 42.8 1.0
N3 A:C10 3.7 40.4 1.0
C4 A:C10 3.8 40.2 1.0
C2' A:C10 3.8 41.2 1.0
C3' A:C10 3.8 41.4 1.0
N3 A:5BU11 4.0 45.8 1.0
N1 A:5BU11 4.1 45.5 1.0
O2 A:C10 4.1 40.4 1.0
C1' A:C10 4.2 40.9 1.0
O5' A:5BU11 4.4 43.4 1.0
P A:5BU11 4.5 43.0 1.0
N4 A:C10 4.6 40.3 1.0
C2 A:5BU11 4.6 45.6 1.0
O5' A:C10 4.7 39.9 1.0
O3' A:C10 4.7 42.1 1.0
O4' A:C10 4.7 40.9 1.0
C4' A:C10 4.9 40.9 1.0
OP2 A:C10 4.9 39.6 1.0
O3' A:A9 5.0 39.1 1.0

Bromine binding site 3 out of 5 in 1f1t

Go back to Bromine Binding Sites List in 1f1t
Bromine binding site 3 out of 5 in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br25

b:58.5
occ:1.00
BR A:5BU25 0.0 58.5 1.0
C5 A:5BU25 1.9 55.8 1.0
C6 A:5BU25 2.8 55.2 1.0
C4 A:5BU25 2.8 55.6 1.0
O4 A:5BU25 3.1 55.5 1.0
OP2 A:5BU25 3.4 48.9 1.0
C1' A:G24 3.5 46.2 1.0
O4' A:G24 3.7 45.7 1.0
C8 A:G24 4.0 46.6 1.0
O2' A:G24 4.1 46.4 1.0
N3 A:5BU25 4.1 55.1 1.0
N1 A:5BU25 4.1 54.1 1.0
N9 A:G24 4.2 46.5 1.0
C2' A:G24 4.3 46.4 1.0
C4' A:G24 4.4 45.5 1.0
P A:5BU25 4.5 49.0 1.0
OP2 A:A27 4.6 50.5 1.0
O3' A:G24 4.6 47.9 1.0
C2 A:5BU25 4.7 54.5 1.0
C3' A:G24 4.7 46.5 1.0
O5' A:5BU25 4.8 50.0 1.0
C5' A:5BU25 4.8 51.2 1.0

Bromine binding site 4 out of 5 in 1f1t

Go back to Bromine Binding Sites List in 1f1t
Bromine binding site 4 out of 5 in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br32

b:43.8
occ:1.00
BR A:5BU32 0.0 43.8 1.0
C5 A:5BU32 1.9 41.6 1.0
C4 A:5BU32 2.8 41.4 1.0
C6 A:5BU32 2.8 41.2 1.0
O4 A:5BU32 3.0 41.3 1.0
O2' A:A31 3.4 38.1 1.0
OP1 A:5BU32 3.7 38.5 1.0
O3' A:A31 3.8 38.6 1.0
N3 A:5BU32 4.1 40.9 1.0
N1 A:5BU32 4.1 40.3 1.0
P A:5BU32 4.3 38.3 1.0
O5' A:5BU32 4.4 38.3 1.0
C2' A:A31 4.6 38.6 1.0
C2 A:5BU32 4.6 40.6 1.0
C3' A:A31 4.8 38.7 1.0

Bromine binding site 5 out of 5 in 1f1t

Go back to Bromine Binding Sites List in 1f1t
Bromine binding site 5 out of 5 in the Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Malachite Green Aptamer Complexed with Tetramethyl-Rosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br36

b:49.4
occ:1.00
BR A:5BU36 0.0 49.4 1.0
C5 A:5BU36 1.9 46.3 1.0
C6 A:5BU36 2.8 45.6 1.0
C4 A:5BU36 2.8 46.0 1.0
O4 A:5BU36 3.0 46.0 1.0
OP2 A:5BU36 3.4 36.5 1.0
C4 A:A35 3.7 31.4 1.0
N9 A:A35 3.7 31.7 1.0
C8 A:A35 3.7 31.6 1.0
C5 A:A35 3.7 31.1 1.0
N7 A:A35 3.7 31.5 1.0
C3' A:A35 4.0 33.5 1.0
C2' A:A35 4.0 32.8 1.0
N3 A:5BU36 4.0 45.3 1.0
N1 A:5BU36 4.1 44.5 1.0
N3 A:A35 4.2 31.2 1.0
C6 A:A35 4.4 30.9 1.0
O5' A:5BU36 4.4 37.7 1.0
C1' A:A35 4.4 32.3 1.0
P A:5BU36 4.5 36.3 1.0
C2 A:5BU36 4.6 44.9 1.0
C2 A:A35 4.7 31.0 1.0
O3' A:A35 4.8 35.0 1.0
N1 A:A35 4.8 30.9 1.0
O4' A:A35 4.9 32.4 1.0
C4' A:A35 5.0 33.0 1.0

Reference:

C.Baugh, D.Grate, C.Wilson. 2.8 A Crystal Structure of the Malachite Green Aptamer. J.Mol.Biol. V. 301 117 2000.
ISSN: ISSN 0022-2836
PubMed: 10926496
DOI: 10.1006/JMBI.2000.3951
Page generated: Wed Jul 10 16:30:18 2024

Last articles

Cl in 4NHT
Cl in 4NO7
Cl in 4NML
Cl in 4NN3
Cl in 4NMW
Cl in 4NM7
Cl in 4NM5
Cl in 4NM3
Cl in 4NM0
Cl in 4NHQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy