PDB entry 3ndm

View 3ndm on RCSB PDB site
Description: Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative
Deposited on 2010-06-07, released 2010-12-08
The last revision was dated 2011-07-13, with a file datestamp of 2011-07-08.
Experiment type: XRAY
Resolution: 3.3 Å
R-factor: 0.244
AEROSPACI score: 0.13 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Rho-Associated Protein Kinase (ROCK1)
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13464 (5-End)
      • expression tag (4)
  • Chain 'B':
    Compound: Rho-Associated Protein Kinase (ROCK1)
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Rho-Associated Protein Kinase (ROCK1)
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13464 (5-End)
      • expression tag (4)
  • Chain 'D':
    Compound: Rho-Associated Protein Kinase (ROCK1)
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Heterogens: 3ND, 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:
    >3ndmA (A:)
    gslhmsfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsryk
    dtinkirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaf
    fweerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfyta
    evvlaldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdy
    ispevlksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfp
    ddndiskeaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdls
    sdidtsnfddleedkgeeetfpipkafvgnqlpfvgftyysnrrylssanpndnr
    

    Sequence, based on observed residues (ATOM records):
    >3ndmA (A:)
    msfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtin
    kirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffwee
    rdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnekwarfytaevvlalda
    ihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdyispevlks
    qyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpdiskeaknlica
    fltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidtsnfddleeee
    tfpipkafvgnqlpfvgftyysn
    

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

    Sequence, based on observed residues (ATOM records):
    >3ndmB (B:)
    fetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtinki
    rdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffweerd
    imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevvlal
    daihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdyispevl
    ksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpddndis
    keaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidts
    nfddleedkgeeetfpipkafvgnqlpfvgftyysn
    

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

    Sequence, based on observed residues (ATOM records):
    >3ndmC (C:)
    msfetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtin
    kirdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffwee
    rdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevvl
    aldaihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrctpdyispevlksq
    grecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpdiskeaknlicaflt
    drevlffkndqwawetlrdtvapvvpdlssdidtsnfddleedkgeeetfpipkafvgnq
    lpfvgftyysn
    

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

    Sequence, based on observed residues (ATOM records):
    >3ndmD (D:)
    fetrfekmdnllrdpksevnsdclldgldalvydldfpalrknknidnflsrykdtinki
    rdlrmkaedyevvkvigrgafgevqlvrhkstrkvyamkllskfemikrsdsaffweerd
    imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwarfytaevvlal
    daihsmgfihrdvkpdnmlldksghlkladfgtcmkmnkegmvrcdtavgtpdyispevl
    ksqggdgyygrecdwwsvgvflyemlvgdtpfyadslvgtyskimnhknsltfpddndis
    keaknlicafltdrevrlgrngveeikrhlffkndqwawetlrdtvapvvpdlssdidts
    nfddleedkgeeetfpipkafvgnqlpfvgftyysn