PDB entry 6w0x

View 6w0x on RCSB PDB site
Description: structure of khk in complex with compound 4 (6-[(1~{s},5~{r})-6- (hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2- methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3- carbonitrile)
Deposited on 2020-03-03, released 2020-09-23
The last revision was dated 2020-12-09, with a file datestamp of 2020-12-04.
Experiment type: XRAY
Resolution: 2.38 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Ketohexokinase
    Species: Homo sapiens [TaxId:9606]
    Gene: KHK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50053 (19-312)
      • expression tag (17-18)
  • Chain 'B':
    Compound: Ketohexokinase
    Species: Homo sapiens [TaxId:9606]
    Gene: KHK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50053 (19-312)
      • expression tag (12-18)
  • Heterogens: SO4, S6J, 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:
    >6w0xA (A:)
mgsshhhhhhssglvprgsqilcvglvvldvislvdkypkedseirclsqrwqrggnasn
sctvlsllgapcafmgsmapghvadflvadfrrrgvdvsqvawqskgdtpsscciinnsn
gnrtivlhdtslpdvsatdfekvdltqfkwihiegrnaseqvkmlqridahntrqppeqk
irvsvevekpreelfqlfgygdvvfvskdvakhlgfqsaeealrglygrvrkgavlvcaw
aeegadalgpdgkllhsdafppprvvdtlgagdtfnasvifslsqgrsvqealrfgcqva
gkkcglqgfdgiv

    Sequence, based on observed residues (ATOM records):
    >6w0xA (A:)
gsqilcvglvvldvislvdkypkedseirclsqrwqrggnasnsctvlsllgapcafmgs
mapghvadflvadfrrrgvdvsqvawqskgdtpsscciinnsngnrtivlhdtslpdvsa
tdfekvdltqfkwihiegrnaseqvkmlqridahntrqppeqkirvsvevekpreelfql
fgygdvvfvskdvakhlgfqsaeealrglygrvrkgavlvcawaeegadalgpdgkllhs
dafppprvvdtlgagdtfnasvifslsqgrsvqealrfgcqvagkkcglqgfdgiv

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6w0xB (B:)
mgsshhhhhhssglvprgsqilcvglvvldvislvdkypkedseirclsqrwqrggnasn
sctvlsllgapcafmgsmapghvadflvadfrrrgvdvsqvawqskgdtpsscciinnsn
gnrtivlhdtslpdvsatdfekvdltqfkwihiegrnaseqvkmlqridahntrqppeqk
irvsvevekpreelfqlfgygdvvfvskdvakhlgfqsaeealrglygrvrkgavlvcaw
aeegadalgpdgkllhsdafppprvvdtlgagdtfnasvifslsqgrsvqealrfgcqva
gkkcglqgfdgiv

    Sequence, based on observed residues (ATOM records):
    >6w0xB (B:)
glvprgsqilcvglvvldvislvdkypkedseirclsqrwqrggnasnsctvlsllgapc
afmgsmapghvadflvadfrrrgvdvsqvawqskgdtpsscciinnsngnrtivlhdtsl
pdvsatdfekvdltqfkwihiegrnaseqvkmlqridahntrqppeqkirvsvevekpre
elfqlfgygdvvfvskdvakhlgfqsaeealrglygrvrkgavlvcawaeegadalgpdg
kllhsdafppprvvdtlgagdtfnasvifslsqgrsvqealrfgcqvagkkcglqgfdgi
v