PDB entry 7jra

View 7jra on RCSB PDB site
Description: HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Class: cytokine
Keywords: tumor necrosis factor alpha, tnf, asymmetric, protein-protein interaction inhibitor, inhibitor, cytokine, lymphokine
Deposited on 2020-08-11, released 2020-12-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-01-13, with a file datestamp of 2021-01-08.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tumor necrosis factor
    Species: Homo sapiens [TaxId:9606]
    Gene: TNF, TNFA, TNFSF2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7jraa_
  • Chain 'B':
    Compound: Tumor necrosis factor
    Species: Homo sapiens [TaxId:9606]
    Gene: TNF, TNFA, TNFSF2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7jrab_
  • Chain 'C':
    Compound: Tumor necrosis factor
    Species: Homo sapiens [TaxId:9606]
    Gene: TNF, TNFA, TNFSF2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d7jrac_
  • Heterogens: VGY, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7jraA (A:)
ghmvrsssrtpsdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyl
iysqvlfkgqgcpsthvllthtisriavsyqtkvnllsaikspcqretpegaeakpwyep
iylggvfqlekgdrlsaeinrpdyldfaesgqvyfgiial

    Sequence, based on observed residues (ATOM records): (download) 
    >7jraA (A:)
srtpsdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyliysqvlf
kgqgcpsthvllthtisriavsyqtkvnllsaikspcqretpegaeakpwyepiylggvf
qlekgdrlsaeinrpdyldfaesgqvyfgiial

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7jraB (B:)
ghmvrsssrtpsdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyl
iysqvlfkgqgcpsthvllthtisriavsyqtkvnllsaikspcqretpegaeakpwyep
iylggvfqlekgdrlsaeinrpdyldfaesgqvyfgiial

    Sequence, based on observed residues (ATOM records): (download) 
    >7jraB (B:)
rtpsdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyliysqvlfk
gqgcpsthvllthtisriavsyqtkvnllsaikspcqretkpwyepiylggvfqlekgdr
lsaeinrpdyldfaesgqvyfgiial

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >7jraC (C:)
ghmvrsssrtpsdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyl
iysqvlfkgqgcpsthvllthtisriavsyqtkvnllsaikspcqretpegaeakpwyep
iylggvfqlekgdrlsaeinrpdyldfaesgqvyfgiial

    Sequence, based on observed residues (ATOM records): (download) 
    >7jraC (C:)
sdkpvahvvanpqaegqlqwlnrranallangvelrdnqlvvpseglyliysqvlfkgqg
cpsthvllthtisriavsyqtkvnllsaikspcqrekpwyepiylggvfqlekgdrlsae
inrpdyldfaesgqvyfgiial