PDB entry 6xbg

View 6xbg on RCSB PDB site
Description: crystal structure of the sars-cov-2 (covid-19) main protease in complex with inhibitor uaw246
Deposited on 2020-06-05, released 2020-06-17
The last revision was dated 2021-01-27, with a file datestamp of 2021-01-22.
Experiment type: XRAY
Resolution: 1.45 Å
R-factor: N/A
AEROSPACI score: 0.58 (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):
  • Chain 'B':
    Compound: 3C-like proteinase
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: inhibitor UAW246
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 6XBG (0-3)
  • Chain 'E':
    Compound: inhibitor UAW246
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 6XBG (0-3)
  • Heterogens: GOL, NA, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >6xbgA (A:)
hmsgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedll
irksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacy
ngspsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdle
gnfygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkyn
yepltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvr
qcsgvtfq

    Sequence, based on observed residues (ATOM records):
    >6xbgA (A:)
gfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllirk
snhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyngs
psgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegnf
ygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynyep
ltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqcs

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6xbgB (B:)
hmsgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedll
irksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacy
ngspsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdle
gnfygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkyn
yepltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvr
qcsgvtfq

    Sequence, based on observed residues (ATOM records):
    >6xbgB (B:)
frkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllirks
nhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyngsp
sgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegnfy
gpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynyepl
tqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqcsg
vtf

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records:
    >6xbgC (C:)
xlxx

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records:
    >6xbgE (E:)
xlxx