PDB entry 6llx

View 6llx on RCSB PDB site
Description: Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Class: transferase
Keywords: Oxidative stress, NQO1, GSTP1, GBM, small molecular inhibitor, TRANSFERASE
Deposited on 2019-12-24, released 2020-11-25
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-11-25, with a file datestamp of 2020-11-20.
Experiment type: XRAY
Resolution: 1.58 Å
R-factor: N/A
AEROSPACI score: 0.53 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glutathione S-transferase P
    Species: Homo sapiens [TaxId:9606]
    Gene: GSTP1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6llxa1, d6llxa2
  • Chain 'B':
    Compound: Glutathione S-transferase P
    Species: Homo sapiens [TaxId:9606]
    Gene: GSTP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09211 (5-214)
      • expression tag (0-4)
    Domains in SCOPe 2.08: d6llxb1, d6llxb2, d6llxb3
  • Heterogens: GSH, MES, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6llxA (A:)
shmasmppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpk
fqdgdltlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyisliytnyeag
kddyvkalpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafp
llsayvgrlsarpklkaflaspeyvnlpingngkq

    Sequence, based on observed residues (ATOM records): (download) 
    >6llxA (A:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyisliytnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6llxB (B:)
shmasmppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpk
fqdgdltlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyisliytnyeag
kddyvkalpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafp
llsayvgrlsarpklkaflaspeyvnlpingngkq