PDB entry 6ywz

View 6ywz on RCSB PDB site
Description: Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Class: peptide binding protein
Keywords: protein-protein interactions PDZ domain, hybrid structures, fragment-based drug discovery, beta-sheets, acylhydrazone, PEPTIDE BINDING PROTEIN
Deposited on 2020-04-30, released 2021-01-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-07-07, with a file datestamp of 2021-07-02.
Experiment type: XRAY
Resolution: 2.12 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: SH3 and multiple ankyrin repeat domains protein 1
    Species: Homo sapiens [TaxId:9606]
    Gene: shank1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9Y566 (3-111)
      • expression tag (0-2)
    Domains in SCOPe 2.08: d6ywza1, d6ywza2
  • Chain 'B':
    Compound: SH3 and multiple ankyrin repeat domains protein 1
    Species: Homo sapiens [TaxId:9606]
    Gene: shank1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9Y566 (3-111)
      • expression tag (0-2)
    Domains in SCOPe 2.08: d6ywzb1, d6ywzb2
  • Heterogens: PEG, PWN, THR, ARG, LEU, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6ywzA (A:)
    gplgsdyiikektvllqkkdsegfgfvlrgakaqtpieeftptpafpalqylesvdeggv
    awraglrmgdflievngqnvvkvghrqvvnmirqggntlmvkvvmvtrhpdm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ywzA (A:)
    gplgsdyiikektvllqkkdsegfgfvlrgakeftptpafpalqylesvdeggvawragl
    rmgdflievngqnvvkvghrqvvnmirqggntlmvkvvmvtr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6ywzB (B:)
    gplgsdyiikektvllqkkdsegfgfvlrgakaqtpieeftptpafpalqylesvdeggv
    awraglrmgdflievngqnvvkvghrqvvnmirqggntlmvkvvmvtrhpdm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6ywzB (B:)
    gplgsdyiikektvllqkkdsegfgfvlrgakaqtpieeftptpafpalqylesvdeggv
    awraglrmgdflievngqnvvkvghrqvvnmirqggntlmvkvvmvtrh