PDB entry 5t9u

View 5t9u on RCSB PDB site
Description: Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A
Class: isomerase/isomerase inhibitor
Keywords: cyclophilin inhibitor antiviral HCV, isomerase-isomerase inhibitor complex
Deposited on 2016-09-09, released 2017-01-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-03-29, with a file datestamp of 2017-03-24.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Peptidyl-prolyl cis-trans isomerase A
    Species: Homo sapiens [TaxId:9606]
    Gene: PPIA, CYPA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5t9ua_
  • Chain 'B':
    Compound: Peptidyl-prolyl cis-trans isomerase A
    Species: Homo sapiens [TaxId:9606]
    Gene: PPIA, CYPA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5t9ub_
  • Chain 'C':
    Compound: Peptidyl-prolyl cis-trans isomerase A
    Species: Homo sapiens [TaxId:9606]
    Gene: PPIA, CYPA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5t9uc_
  • Chain 'D':
    Compound: Peptidyl-prolyl cis-trans isomerase A
    Species: Homo sapiens [TaxId:9606]
    Gene: PPIA, CYPA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5t9ud_
  • Heterogens: 7HG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5t9uA (A:)
    mvnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgf
    mcqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictakte
    wldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

    Sequence, based on observed residues (ATOM records): (download)
    >5t9uA (A:)
    vnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgfm
    cqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictaktew
    ldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5t9uB (B:)
    mvnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgf
    mcqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictakte
    wldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

    Sequence, based on observed residues (ATOM records): (download)
    >5t9uB (B:)
    vnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgfm
    cqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictaktew
    ldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5t9uC (C:)
    mvnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgf
    mcqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictakte
    wldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

    Sequence, based on observed residues (ATOM records): (download)
    >5t9uC (C:)
    vnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgfm
    cqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictaktew
    ldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5t9uD (D:)
    mvnptvffdiavdgeplgrvsfelfadkvpktaenfralstgekgfgykgscfhriipgf
    mcqggdftrhngtggksiygekfedenfilkhtgpgilsmanagpntngsqffictakte
    wldgkhvvfgkvkegmniveamerfgsrngktskkitiadcgql