PDB entry 3d6f

View 3d6f on RCSB PDB site
Description: crystal structure of human caspase-1 with a naturally-occurring arg240->gln substitution in complex with 3-[2-(2- benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo- pentanoic acid (z-vad-fmk)
Deposited on 2008-05-19, released 2010-03-02
The last revision was dated 2021-10-20, with a file datestamp of 2021-10-15.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.216
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Caspase-1
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP1, IL1BC, IL1BCE
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29466 (1-178)
      • expression tag (0)
      • engineered mutation (121)
  • Chain 'B':
    Compound: Caspase-1
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP1, IL1BC, IL1BCE
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29466 (1-88)
      • expression tag (0)
  • Chain 'C':
    Compound: N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
    Database cross-references and differences (RAF-indexed):
    • PDB 3D6F (0-4)
  • Heterogens: 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:
    >3d6fA (A:)
mnpamptssgsegnvklcsleeaqriwkqksaeiypimdkssrtrlaliicneefdsipr
rtgaevditgmtmllqnlgysvdvkknltasdmtteleafahrpehktsdstflvfmshg
iqegicgkkhseqvpdilqlnaifnmlntkncpslkdkpkviiiqacrgdspgvvwfkd

    Sequence, based on observed residues (ATOM records):
    >3d6fA (A:)
tssgsegnvklcsleeaqriwkqksaeiypimdkssrtrlaliicneefdsiprrtgaev
ditgmtmllqnlgysvdvkknltasdmtteleafahrpehktsdstflvfmshgiqegic
gkkhseqvpdilqlnaifnmlntkncpslkdkpkviiiqacrgdspgvvwfkd

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3d6fB (B:)
maikkahiekdfiafcsstpdnvswrhptmgsvfigrliehmqeyacscdveeifrkvrf
sfeqpdgraqmpttervtltrcfylfpgh

    Sequence, based on observed residues (ATOM records):
    >3d6fB (B:)
aikkahiekdfiafcsstpdnvswrhptmgsvfigrliehmqeyacscdveeifrkvrfs
feqpdgraqmpttervtltrcfylfpgh

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records:
    >3d6fC (C:)
xvadx