PDB entry 5hi5

View 5hi5 on RCSB PDB site
Description: binding site elucidation and structure guided design of macrocyclic il-17a antagonists
Deposited on 2016-01-11, released 2016-08-31
The last revision was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: interleukin-17a
    Species: Homo sapiens [TaxId:9606]
    Gene: IL17A, CTLA8, IL17
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: interleukin-17a
    Species: Homo sapiens [TaxId:9606]
    Gene: IL17A, CTLA8, IL17
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: CAT-2000 FAB heavy chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 5HI5 (Start-236)
  • Chain 'D':
    Compound: CAT-2000 light chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 5HI5 (0-End)
  • Chain 'H':
    Compound: CAT-2000 FAB heavy chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 5HI5 (Start-236)
  • Chain 'I':
    Compound: synthetic IL-17A inhibitor
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 5HI5
  • Chain 'L':
    Compound: CAT-2000 light chain
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 5HI5 (0-End)
  • Heterogens: 63Q, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.07, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >5hi5A (A:)
    gitiprnpgcpnsedknfprtvmvnlnihnrntntnpkrssdyynrstspwnlhrnedpe
    rypsviweakcrhlgcinadgnvdyhmnsvpiqqeilvlrrepphcpnsfrlekilvsvg
    ctcvtpivhhva
    

    Sequence, based on observed residues (ATOM records):
    >5hi5A (A:)
    vmvnlnihnnpkrssdyynrstspwnlhrnedperypsviweakcrhlgcinadgnvdyh
    mnsvpiqqeilvlrfrlekilvsvgctcvtpivh
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >5hi5B (B:)
    gitiprnpgcpnsedknfprtvmvnlnihnrntntnpkrssdyynrstspwnlhrnedpe
    rypsviweakcrhlgcinadgnvdyhmnsvpiqqeilvlrrepphcpnsfrlekilvsvg
    ctcvtpivhhva
    

    Sequence, based on observed residues (ATOM records):
    >5hi5B (B:)
    npkrssdyynrstspwnlhrnedperypsviweakcrhlgcinadgnvdyhmnsvpiqqe
    ilvlrnsfrlekilvsvgctcvtpivh
    

  • Chain 'C':
    Sequence, based on SEQRES records:
    >5hi5C (C:)
    gshhhhhhgsenlyfqgevqllesggglvqpggslrlscaasgftfssyamswvrqapgk
    glewvsaisgsggstyyadsvkgrftisrdnskntlylqmnslraedtavyycardlihg
    vtrnwgqgtlvtvssastkgpsvfplapsskstsggtaalgclvkdyfpqpvtvswnsga
    ltsgvhtfpavlqssglyslssvvtvpssslgtqtyicnvnhkpsntkvdkkvepks
    

    Sequence, based on observed residues (ATOM records):
    >5hi5C (C:)
    evqllesggglvqpggslrlscaasgftfssyamswvrqapgkglewvsaisgsggstyy
    adsvkgrftisrdnskntlylqmnslraedtavyycardlihgvtrnwgqgtlvtvssas
    tkgpsvfplapsskstsggtaalgclvkdyfpqpvtvswnsgaltsgvhtfpavlqssgl
    yslssvvtvpssslgtqtyicnvnhkpsntkvdkkvepks
    

  • Chain 'D':
    Sequence, based on SEQRES records:
    >5hi5D (D:)
    nfmltqphsvsespgktvtisctrssgslanyyvqwyqqrpgssptivifannqrpsgvp
    drfsgsidsssnsasltisglktedeadyycqtydpysvvfgggtkltvlgqpkaapsvt
    lfppsseelqankatlvclisdfypgavtvawkadsspvkagvetttpskqsnnkyaass
    ylsltpeqwkshrsyscqvthegstvektvapte
    

    Sequence, based on observed residues (ATOM records):
    >5hi5D (D:)
    nfmltqphsvsespgktvtisctrssgslanyyvqwyqqrpgssptivifannqrpsgvp
    drfsgsidsssnsasltisglktedeadyycqtydpysvvfgggtkltvlgqpkaapsvt
    lfppsseelqankatlvclisdfypgavtvawkadsspvkagvetttpskqsnnkyaass
    ylsltpeqwkshrsyscqvthegstvektvapt
    

  • Chain 'H':
    Sequence, based on SEQRES records:
    >5hi5H (H:)
    gshhhhhhgsenlyfqgevqllesggglvqpggslrlscaasgftfssyamswvrqapgk
    glewvsaisgsggstyyadsvkgrftisrdnskntlylqmnslraedtavyycardlihg
    vtrnwgqgtlvtvssastkgpsvfplapsskstsggtaalgclvkdyfpqpvtvswnsga
    ltsgvhtfpavlqssglyslssvvtvpssslgtqtyicnvnhkpsntkvdkkvepks
    

    Sequence, based on observed residues (ATOM records):
    >5hi5H (H:)
    evqllesggglvqpggslrlscaasgftfssyamswvrqapgkglewvsaisgsggstyy
    adsvkgrftisrdnskntlylqmnslraedtavyycardlihgvtrnwgqgtlvtvssas
    tkgpsvfplapsskstsggtaalgclvkdyfpqpvtvswnsgaltsgvhtfpavlqssgl
    yslssvvtvpssslgtqtyicnvnhkpsntkvdkkvepks
    

  • Chain 'I':
    Sequence, based on SEQRES records:
    >5hi5I (I:)
    ihvtipadlwdwink
    

    Sequence, based on observed residues (ATOM records):
    >5hi5I (I:)
    ihvtipadlwdwin
    

  • Chain 'L':
    Sequence, based on SEQRES records:
    >5hi5L (L:)
    nfmltqphsvsespgktvtisctrssgslanyyvqwyqqrpgssptivifannqrpsgvp
    drfsgsidsssnsasltisglktedeadyycqtydpysvvfgggtkltvlgqpkaapsvt
    lfppsseelqankatlvclisdfypgavtvawkadsspvkagvetttpskqsnnkyaass
    ylsltpeqwkshrsyscqvthegstvektvapte
    

    Sequence, based on observed residues (ATOM records):
    >5hi5L (L:)
    nfmltqphsvsespgktvtisctrssgslanyyvqwyqqrpgssptivifannqrpsgvp
    drfsgsidsssnsasltisglktedeadyycqtydpysvvfgggtkltvlgqpkaapsvt
    lfppsseelqankatlvclisdfypgavtvawkadsspvkagvetttpskqsnnkyaass
    ylsltpeqwkshrsyscqvthegstvektvapt