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Bromine in PDB 5qiq: Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050

Enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050

All present enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050:
3.4.19.12;

Protein crystallography data

The structure of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050, PDB code: 5qiq was solved by R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.06 / 1.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.610, 58.790, 50.194, 90.00, 116.14, 90.00
R / Rfree (%) 14.8 / 20.1

Bromine Binding Sites:

The binding sites of Bromine atom in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050 (pdb code 5qiq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050, PDB code: 5qiq:

Bromine binding site 1 out of 1 in 5qiq

Go back to Bromine Binding Sites List in 5qiq
Bromine binding site 1 out of 1 in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0103050 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:45.8
occ:1.00
BR A:J5A402 0.0 45.8 1.0
C5 A:J5A402 2.0 35.8 1.0
C6 A:J5A402 2.9 49.7 1.0
C4 A:J5A402 3.0 34.1 1.0
OG A:SER223 4.0 30.3 1.0
CB A:SER223 4.1 26.2 1.0
O A:HOH548 4.1 33.1 1.0
C3 A:J5A402 4.2 32.0 1.0
S A:J5A402 4.5 36.4 1.0
O A:THR222 5.0 22.6 1.0

Reference:

R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Von Delft. Covalent Fragment Group Deposition To Be Published.
Page generated: Sat Dec 12 02:30:01 2020

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