PDB entry 6u3y

View 6u3y on RCSB PDB site
Description: Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Class: toxin
Keywords: alpha-toxin, PVL, Leukocidins, MRSA, TOXIN
Deposited on 2019-08-22, released 2020-03-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-05-13, with a file datestamp of 2020-05-08.
Experiment type: XRAY
Resolution: 2.04 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Panton-Valentine Leucocidin F
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: lukF-PV, hlgB_1, lukF- PV, LukPV-F, lukPV-F, lukPVF, NCTC6133_01921
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6u3ya_
  • Chain 'B':
    Compound: Gamma-hemolysin subunit A
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: lukS-PV, LukPV-S, lukPV-S, lukPVS, EP54_02590, EQ90_09955
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6u3yb_
  • Chain 'D':
    Compound: Gamma-hemolysin subunit A
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: lukS-PV, LukPV-S, lukPV-S, lukPVS, EP54_02590, EQ90_09955
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6u3yd_
  • Heterogens: PQJ, SO4, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6u3yA (A:)
aqhitpvsekkvddkitlykttatsdsdklkisqiltfnfikdksydkdtlilkaagniy
sgytkpnpkdtissqfywgskynisinsdsndsvnvvdyapknqneefqvqqtvgysygg
dinisnglsgggngsksfsetinykqesyrtsldkrtnfkkigwdveahkimnngwgpyg
rdsyhstygnemflgsrqsnlnagqnfleyhkmpvlsrgnfnpefigvlsrkqnaakksk
itvtyqremdrytnfwnqlhwignnykdenrathtsiyevdwenhtvklidtqskeknpm
s

    Sequence, based on observed residues (ATOM records): (download) 
    >6u3yA (A:)
aqhitpvsekkvddkitlykttatsdsdklkisqiltfnfikdksydkdtlilkaagniy
sgytkpnpkdtissqfywgskynisinsdsndsvnvvdyapknqneefqvqqtvgysygg
dgngsksfsetinykqesyrtsldkrtnfkkigwdveahkimnngwgpygrdsyhstygn
emflgsrqsnlnagqnfleyhkmpvlsrgnfnpefigvlsrkqnaakkskitvtyqremd
rytnfwnqlhwignnykdenrathtsiyevdwenhtvklidtqskeknpms

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6u3yB (B:)
dnnienigdgaevvkrtedtssdkwgvtqniqfdfvkdkkynkdalilkmqgfinsktty
ynykntdhikamrwpfqyniglktndpnvdlinylpknkidsvnvsqtlgyniggnfnsg
pstggngsfnysktisynqqnyiseverqnsksvqwgikansfitslgkmsghdpnlfvg
ykpysqnprdyfvpdnelpplvhsgfnpsfiatvshekgsgdtsefeitygrnmdvthat
rrtthygnsylegsrihnafvnrnytvkyevnwktheikvkghn

    Sequence, based on observed residues (ATOM records): (download) 
    >6u3yB (B:)
ienigdgaevvkrtedtssdkwgvtqniqfdfvkdkkynkdalilkmqgfinskttyyny
kntdhikamrwpfqyniglktndpnvdlinylpknkidsvnvsqtlgynigngsfnyskt
isynqqnyiseverqnsksvqwgikansfitslgkmsghdpnlfvgykpysqnprdyfvp
dnelpplvhsgfnpsfiatvshekgsgdtsefeitygrnmdvthatrrtthygnsylegs
rihnafvnrnytvkyevnwktheikvkghn

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6u3yD (D:)
dnnienigdgaevvkrtedtssdkwgvtqniqfdfvkdkkynkdalilkmqgfinsktty
ynykntdhikamrwpfqyniglktndpnvdlinylpknkidsvnvsqtlgyniggnfnsg
pstggngsfnysktisynqqnyiseverqnsksvqwgikansfitslgkmsghdpnlfvg
ykpysqnprdyfvpdnelpplvhsgfnpsfiatvshekgsgdtsefeitygrnmdvthat
rrtthygnsylegsrihnafvnrnytvkyevnwktheikvkghn

    Sequence, based on observed residues (ATOM records): (download) 
    >6u3yD (D:)
gaevvkrtedtssdkwgvtqniqfdfvkdkkynkdalilkmqgfinskttyynykntdhi
kamrwpfqyniglktndpnvdlinylpknkidsvnvsqtlgysktisynqqnyiseverq
nsksvqwgikansfitslgkmsghdpnlfvgykpysqnprdyfvpdnelpplvhsgfnps
fiatvshekgsgdtsefeitygrnmdvthatrrtthygnsylegsrihnafvnrnytvky
evnwktheikvkghn