PDB entry 4qoc

View 4qoc on RCSB PDB site
Description: crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Class: Ligase/Ligase inhibitor
Keywords: MDM2, p53, protein-protein interaction, inhibitor, Ligase-Ligase inhibitor complex
Deposited on 2014-06-19, released 2015-05-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-05-06, with a file datestamp of 2015-05-01.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qoca_
  • Chain 'C':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qocc_
  • Chain 'E':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qoce_
  • Chain 'G':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qocg_
  • Chain 'I':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qoci_
  • Chain 'K':
    Compound: E3 ubiquitin-protein ligase Mdm2
    Species: Homo sapiens [TaxId:9606]
    Gene: MDM2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qock_
  • Heterogens: 35T, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qocA (A:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocA (A:)
    ipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhivycs
    ndllgdlfgvpsfsvkehrkiytmiyrnlvvv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4qocC (C:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocC (C:)
    ipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhivycs
    ndllgdlfgvpsfsvkehrkiytmiyrnlvvv
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4qocE (E:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocE (E:)
    sqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtklydekqqhivyc
    sndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4qocG (G:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocG (G:)
    qipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhivyc
    sndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >4qocI (I:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocI (I:)
    sqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhivy
    csndllgdlfgvpsfsvkehrkiytmiyrnlvvv
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >4qocK (K:)
    gsqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhiv
    ycsndllgdlfgvpsfsvkehrkiytmiyrnlvvvn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qocK (K:)
    sqipaseqetlvrpkplllkllksvgaqkdtytmkevlfylgqyimtkrlydekqqhivy
    csndllgdlfgvpsfsvkehrkiytmiyrnlvvvn