Bromine in PDB 6ark: Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C

Protein crystallography data

The structure of Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C, PDB code: 6ark was solved by C.I.Nnadi, M.L.Jenkins, D.R.Gentile, L.A.Bateman, D.Zaidman, T.E.Balius, D.K.Nomura, J.E.Burke, K.M.Shokat, N.London, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 1.75
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 94.280, 94.280, 119.550, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 23.1

Other elements in 6ark:

The structure of Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C (pdb code 6ark). 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 Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C, PDB code: 6ark:

Bromine binding site 1 out of 1 in 6ark

Go back to Bromine Binding Sites List in 6ark
Bromine binding site 1 out of 1 in the Crystal Structure of Compound 10 Covalently Bound to K-Ras G12C


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 Compound 10 Covalently Bound to K-Ras G12C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:69.7
occ:1.00
BR A:BQD203 0.0 69.7 1.0
C19 A:BQD203 2.0 70.1 1.0
C21 A:BQD203 2.9 57.3 1.0
C18 A:BQD203 2.9 65.3 1.0
H211 A:BQD203 2.9 68.7 1.0
H181 A:BQD203 3.0 78.4 1.0
C22 A:BQD203 4.2 54.9 1.0
C17 A:BQD203 4.2 61.0 1.0
C16 A:BQD203 4.8 57.3 1.0
H171 A:BQD203 5.0 73.2 1.0

Reference:

C.I.Nnadi, M.L.Jenkins, D.R.Gentile, L.A.Bateman, D.Zaidman, T.E.Balius, D.K.Nomura, J.E.Burke, K.M.Shokat, N.London. Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange. J Chem Inf Model V. 58 464 2018.
ISSN: ESSN 1549-960X
PubMed: 29320178
DOI: 10.1021/ACS.JCIM.7B00399
Page generated: Sat Dec 12 02:32:11 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