|
|
eF-site ID
|
6xa4-A |
|
PDB Code
|
6xa4 |
|
Chain
|
A |
|
click to enlarge
|
|
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Title
|
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 |
|
Classification
|
HYDROLASE/HYDROLASE INHIBITOR |
|
Compound
|
3C-like proteinase |
|
Source
|
(6XA4) |
|
|
Sequence
|
A: |
GFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRH
VICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHS
MQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGS
PSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCY
MHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTIT
VNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEP
LTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTI
LGSALLEDEFTPFDVVRQCSGVTF
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
62 |
| type |
|
| sequence |
S
|
| description |
binding site for residue GOL A 501
|
| source |
: AC1
|
|
|
2)
|
chain |
A |
| residue |
63 |
| type |
|
| sequence |
N
|
| description |
binding site for residue GOL A 501
|
| source |
: AC1
|
|
|
3)
|
chain |
A |
| residue |
64 |
| type |
|
| sequence |
H
|
| description |
binding site for residue GOL A 501
|
| source |
: AC1
|
|
|
4)
|
chain |
A |
| residue |
226 |
| type |
|
| sequence |
T
|
| description |
binding site for residue GOL A 501
|
| source |
: AC1
|
|
|
5)
|
chain |
A |
| residue |
41 |
| type |
ACT_SITE |
| sequence |
H
|
| description |
For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
6)
|
chain |
A |
| residue |
145 |
| type |
ACT_SITE |
| sequence |
C
|
| description |
Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
|