Atomistry » Bromine » PDB 4p6j-4tm1 » 4p6j
Atomistry »
  Bromine »
    PDB 4p6j-4tm1 »
      4p6j »

Bromine in PDB 4p6j: Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside

Protein crystallography data

The structure of Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside, PDB code: 4p6j was solved by N.H.Joh, R.Acharya, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.79 / 2.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 41.450, 41.450, 63.990, 90.00, 90.00, 90.00
R / Rfree (%) 24.8 / 27.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside (pdb code 4p6j). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside, PDB code: 4p6j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4p6j

Go back to Bromine Binding Sites List in 4p6j
Bromine binding site 1 out of 2 in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside


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 Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2

b:44.8
occ:0.37
BR A:4BF2 0.0 44.8 0.4
CZ A:4BF2 1.9 48.3 1.0
CE1 A:4BF2 2.8 57.7 1.0
CE2 A:4BF2 2.8 50.8 1.0
CD1 A:4BF2 4.1 64.3 1.0
CD2 A:4BF2 4.1 56.6 1.0
CB A:ALA6 4.5 42.0 1.0
CG A:4BF2 4.6 64.6 1.0

Bromine binding site 2 out of 2 in 4p6j

Go back to Bromine Binding Sites List in 4p6j
Bromine binding site 2 out of 2 in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside


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 Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Octyl Glucoside within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br2

b:56.0
occ:0.61
BR B:4BF2 0.0 56.0 0.6
CZ B:4BF2 1.9 41.8 1.0
CE1 B:4BF2 2.8 46.0 1.0
CE2 B:4BF2 2.8 45.1 1.0
CD1 B:4BF2 4.1 49.7 1.0
CD2 B:4BF2 4.1 47.5 1.0
CE2 B:TYR1 4.6 45.5 1.0
CD2 B:TYR1 4.6 51.6 1.0
CG B:4BF2 4.6 50.8 1.0

Reference:

N.H.Joh, T.Wang, M.Bhate, R.Acharya, Y.Wu, M.Grabe, M.Hong, G.Grigoryan, W.F.Degrado. De Novo Design of A Transmembrane Zn(II) Transporting Four-Helix Bundle Science 2014.
ISSN: ESSN 1095-9203
Page generated: Sat Dec 12 02:22:16 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy