PDB entry 5rh9
View 5rh9 on RCSB PDB site
Description: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776)
Class: hydrolase/hydrolase inhibitor
Keywords: SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2020-05-15, released
2020-05-27
The last revision prior to the SCOPe 2.08 freeze date was dated
2020-05-27, with a file datestamp of
2020-05-22.
Experiment type: XRAY
Resolution: 1.91 Å
R-factor: N/A
AEROSPACI score: 0.33
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: 3C-like proteinase
Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
Gene: rep, 1a-1b
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d5rh9a_ - Heterogens: UJ4, DMS, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5rh9A (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sgvtfq
Sequence, based on observed residues (ATOM records): (download)
>5rh9A (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sgvt