Hello Vaheh,
That's quite a fascinating pair of "structures" - thanks for sharing that.
The unit cells are identical - presumably same data - the R-factors are
much lower in the 5DZL (R-free to 3.4A is 0.288 vs 0.373) and while the
overall packing is the same 5DZL has 4 copies of CEACAM-1 in the
asymmetric unit vs 2 copies of "CEACAM1-TIM3 fusion" in 4QYC. There's a
lot of reassigned side-chains comparing the two in the part of 4QYC
assigned to "TIM3".
I grabbed a map from PDB_REDO at:
http://www.cmbi.ru.nl/pdb_redo/qy/4qyc/index.html
Interesting structural features include 4QYC's Arg B216 in what might
otherwise be thought of as the hydrophobic core of the second molecule.
In fact the PDB_REDO map of 4QYC fits 5DZL somewhat better in this
region. Turn crystal packing display on in Coot to fully appreciate this.
Fascinating.
Phil Jeffrey
Princeton
On 10/20/15 5:39 PM, Oganesyan, Vaheh wrote:
> Dear CCP4 community,
> I hope I'm not opening another can of worms and it is just my
> misunderstanding. Crystal structure published in Nature, vol. 517, on 15
> of January, 2015 refers to PDB Id 4QYC as " crystal structure of single
> chain hCEACAM1–hTIM-3". As of October of 2015 that entry was superseded
> by 5DZL which doesn't contain described molecule. Below is alignment of
[snip]
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