PDB entry 4ear

View 4ear on RCSB PDB site
Description: Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with DADMe-ImmG and phosphate
Class: transferase/transferase inhibitor
Keywords: PNP,Immucillin, Purine nucleoside phosphorylase, nucleoside binding, purine base binding, purine-nucleoside phosphorylase activity, drug binding, transferase activity, transferring glycosyl groups, phosphate ion binding, cytosol, 6-FLUORO-L-TRYPTOPHAN, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-03-22, released 2013-02-06
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-03-13, with a file datestamp of 2013-03-08.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.176
AEROSPACI score: 0.56 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: purine nucleoside phosphorylase
    Species: Homo sapiens [TaxId:9606]
    Gene: NP, PNP, X00737.1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00491
      • engineered mutation (50)
      • engineered mutation (85)
      • engineered mutation (128)
      • engineered mutation (212)
      • engineered mutation (291)
    Domains in SCOPe 2.08: d4eara_
  • Chain 'B':
    Compound: purine nucleoside phosphorylase
    Species: Homo sapiens [TaxId:9606]
    Gene: NP, PNP, X00737.1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00491
      • engineered mutation (50)
      • engineered mutation (85)
      • engineered mutation (128)
      • engineered mutation (212)
      • engineered mutation (291)
    Domains in SCOPe 2.08: d4earb_
  • Chain 'C':
    Compound: purine nucleoside phosphorylase
    Species: Homo sapiens [TaxId:9606]
    Gene: NP, PNP, X00737.1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00491
      • engineered mutation (50)
      • engineered mutation (85)
      • engineered mutation (128)
      • engineered mutation (212)
      • engineered mutation (291)
    Domains in SCOPe 2.08: d4earc_
  • Heterogens: IM5, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4earA (A:)
    mrgshhhhhhgmasmtggqqmgrdlyddddkdptlmengytyedykntaeyllshtkhrp
    qvaiicgsglggltdkltqaqifdyseipnfprstvpghagrlvfgflngracvmmqgrf
    hmyegyplykvtfpvrvfhllgvdtlvvtnaagglnpkfevgdimlirdhinlpgfsgqn
    plrgpnderfgdrfpamsdaydrtmrqralstykqmgeqrelqegtyvmvagpsfetvae
    crvlqklgadavgmstvpevivarhcglrvfgfslitnkvimdyeslekanweevlaagk
    qaaqkleqfvsilmasiplpdkas
    

    Sequence, based on observed residues (ATOM records): (download)
    >4earA (A:)
    gytyedykntaeyllshtkhrpqvaiicgsglggltdkltqaqifdyseipnfprstvpg
    hagrlvfgflngracvmmqgrfhmyegyplykvtfpvrvfhllgvdtlvvtnaagglnpk
    fevgdimlirdhinlpgfsgqnplrgpnderfgdrfpamsdaydrtmrqralstykqmge
    qrelqegtyvmvagpsfetvaecrvlqklgadavgmstvpevivarhcglrvfgfslitn
    kvimdyeslekanweevlaagkqaaqkleqfvsilmasiplpd
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4earB (B:)
    mrgshhhhhhgmasmtggqqmgrdlyddddkdptlmengytyedykntaeyllshtkhrp
    qvaiicgsglggltdkltqaqifdyseipnfprstvpghagrlvfgflngracvmmqgrf
    hmyegyplykvtfpvrvfhllgvdtlvvtnaagglnpkfevgdimlirdhinlpgfsgqn
    plrgpnderfgdrfpamsdaydrtmrqralstykqmgeqrelqegtyvmvagpsfetvae
    crvlqklgadavgmstvpevivarhcglrvfgfslitnkvimdyeslekanweevlaagk
    qaaqkleqfvsilmasiplpdkas
    

    Sequence, based on observed residues (ATOM records): (download)
    >4earB (B:)
    engytyedykntaeyllshtkhrpqvaiicgsglggltdkltqaqifdyseipnfprstv
    pghagrlvfgflngracvmmqgrfhmyegyplykvtfpvrvfhllgvdtlvvtnaaggln
    pkfevgdimlirdhinlpgfsgqnplrgpnderfgdrfpamsdaydrtmrqralstykqm
    geqrelqegtyvmvagpsfetvaecrvlqklgadavgmstvpevivarhcglrvfgfsli
    tnkvimdyeslekanweevlaagkqaaqkleqfvsilmasiplpdka
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4earC (C:)
    mrgshhhhhhgmasmtggqqmgrdlyddddkdptlmengytyedykntaeyllshtkhrp
    qvaiicgsglggltdkltqaqifdyseipnfprstvpghagrlvfgflngracvmmqgrf
    hmyegyplykvtfpvrvfhllgvdtlvvtnaagglnpkfevgdimlirdhinlpgfsgqn
    plrgpnderfgdrfpamsdaydrtmrqralstykqmgeqrelqegtyvmvagpsfetvae
    crvlqklgadavgmstvpevivarhcglrvfgfslitnkvimdyeslekanweevlaagk
    qaaqkleqfvsilmasiplpdkas
    

    Sequence, based on observed residues (ATOM records): (download)
    >4earC (C:)
    gytyedykntaeyllshtkhrpqvaiicgsglggltdkltqaqifdyseipnfprstvpg
    hagrlvfgflngracvmmqgrfhmyegyplykvtfpvrvfhllgvdtlvvtnaagglnpk
    fevgdimlirdhinlpgfsgqnplrgpnderfgdrfpamsdaydrtmrqralstykqmge
    qrelqegtyvmvagpsfetvaecrvlqklgadavgmstvpevivarhcglrvfgfslitn
    kvimdyeslekanweevlaagkqaaqkleqfvsilmasiplpdka