The Winner of the Coot Speed Run, Map 1 Challenge, with a time of 2:29
is Victor Tobiasson. Yay.
Victor has asked for a more difficult challenge for the next map and I
agree. I have selected EMD-22898/7kjr which is SARS-CoV2 ORF 3a - an ion
channel and potential therapeutic and vaccine target. I think I recall
seeing on twitter (although I can't find it now) that the images for
this reconstruction were collected in about 6 hours.
The starting point is
i) the map emd_22898.map (get it from here:
https://www.emdataresource.org/EMD-22898)
ii) the sequence
10 20 30 40 50
S LPFGWLIVGV
60 70 80 90 100
ALLAVFQSAS KIITLKKRWQ LALSKGVHFV CNLLLLFVTV YSHLLLVAAG
110 120 130 140 150
LEAPFLYLYA LVYFLQSINF VRIIMRLWLC WKCRSKNPLL YDANYFLCWH
160 170 180 190 200
TNCYDYCIPY NSVTSSIVIT SGDGTTSPIS EHDYQIGGYT EKWESGVKDC
210 220 230 240 250
VVLHSYFTSD YYQLYSTQLS TDTGVEHVTF FIYNKIVD
iii) the compound_id for the ligand is PEE
iv) C2 symmetry has been applied along the Z axis to the reconstruction
and hence should be reflected in the atomic model
The helices for the MSP are a bit marginal and will not be part of the
scoring.
There will be a "Tool Assisted" version of this challenge - where one
can start from the output of phenix.map_to_model. However, can you
complete the model with Coot before phenix.map_to_model terminates?
There is no closing date as yet - it will be several months from now.
Also note that this molecule is part of the 2021 Ligand Model Challenge (part
of the EM Validation Challenges)
https://challenges.emdataresource.org/?q=2021-launch-announce
Regards,
Paul.
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