PDB entry 3ncz

View 3ncz on RCSB PDB site
Description: X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor
Deposited on 2010-06-06, released 2010-12-08
The last revision was dated 2010-12-08, with a file datestamp of 2010-12-03.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.259
AEROSPACI score: 0.15 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Rho-associated protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13464 (5-End)
      • expression tag (3-4)
  • Chain 'B':
    Compound: Rho-associated protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13464 (5-End)
      • expression tag (3-4)
  • Chain 'C':
    Compound: Rho-associated protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13464 (5-End)
      • expression tag (3-4)
  • Chain 'D':
    Compound: Rho-associated protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK1
    Database cross-references and differences (RAF-indexed):
  • Heterogens: 3NC, 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:
    >3nczA (A:)
    gslhmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsryk
    dtinkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaf
    fweerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfyta
    evvlaldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdy
    ispevlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfp
    ddndiskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdls
    sdidtsnfddleedkgeeetfpipkafvgnqlpfvgftyysnrrylssanpndnr
    

    Sequence, based on observed residues (ATOM records):
    >3nczA (A:)
    hmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdti
    nkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffwe
    erdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevv
    laldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdyisp
    evlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpddn
    diskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdi
    dtsnfddleedkgeeetfpipkafvgnqlpfvgftyysn
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3nczB (B:)
    gslhmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsryk
    dtinkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaf
    fweerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfyta
    evvlaldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdy
    ispevlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfp
    ddndiskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdls
    sdidtsnfddleedkgeeetfpipkafvgnqlpfvgftyysnrrylssanpndnr
    

    Sequence, based on observed residues (ATOM records):
    >3nczB (B:)
    hmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdti
    nkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffwe
    erdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevv
    laldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdvgtpdyispev
    lksqgrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsdiskeaknlicaflt
    drevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidtsnfddgeeetfpi
    pkafvgnqlpfvgftyysn
    

  • Chain 'C':
    Sequence, based on SEQRES records:
    >3nczC (C:)
    gslhmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsryk
    dtinkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaf
    fweerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfyta
    evvlaldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdy
    ispevlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfp
    ddndiskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdls
    sdidtsnfddleedkgeeetfpipkafvgnqlpfvgftyysnrrylssanpndnr
    

    Sequence, based on observed residues (ATOM records):
    >3nczC (C:)
    hmsfefekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtink
    irdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffweer
    dimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevvla
    ldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrctavgtpdyispevl
    ksqgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsfpddndiskeakn
    licafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidtsnfddl
    eeeetfpipkafvgnqlpfvgftyysnrr
    

  • Chain 'D':
    Sequence, based on SEQRES records:
    >3nczD (D:)
    gslhmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsryk
    dtinkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaf
    fweerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfyta
    evvlaldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdy
    ispevlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfp
    ddndiskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdls
    sdidtsnfddleedkgeeetfpipkafvgnqlpfvgftyysnrrylssanpndnr
    

    Sequence, based on observed residues (ATOM records):
    >3nczD (D:)
    sfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtink
    irdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffweer
    dimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevvla
    ldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdyispev
    lksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpddndi
    skeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidt
    snfddleedkgeeetfpipkafvgnqlpfvgftyysn