PDB entry 3ofs

View 3ofs on RCSB PDB site
Description: Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography
Class: hydrolase
Keywords: CD38, cyclization, hydrolysis, cADPR, ADPR, ara-2'F-NAD, ara-2'F-ADPR, hydrolase
Deposited on 2010-08-16, released 2010-12-15
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-01-19, with a file datestamp of 2011-01-14.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.206
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofsa_
  • Chain 'B':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofsb_
  • Chain 'C':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofsc_
  • Chain 'D':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofsd_
  • Chain 'E':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofse_
  • Chain 'F':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-End)
      • engineered mutation (5)
      • engineered mutation (56)
      • engineered mutation (102)
      • engineered mutation (120)
      • engineered mutation (165)
      • engineered mutation (175)
    Domains in SCOPe 2.05: d3ofsf_
  • Heterogens: AVU, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ofsA (A:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsA (A:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgefdt
    skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
    evhnlqpekvqtleawvihgedsrdlcqdptikelesiiskrniqfsckniyrp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ofsB (B:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsB (B:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgefdt
    skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
    evhnlqpekvqtleawvihgedsrdlcqdptikelesiiskrniqfsckniyrp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ofsC (C:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsC (C:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgefdt
    skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
    evhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ofsD (D:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsD (D:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgefdt
    skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
    evhnlqpekvqtleawvihggdsrdlcqdptikelesiiskrniqfsckniyr
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3ofsE (E:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsE (E:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgefdt
    skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
    evhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrp
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3ofsF (F:)
    efwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdite
    edyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftladtllgyladdltwcgef
    dtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfg
    svevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdk
    flqcvknpedssctsei
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ofsF (F:)
    wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
    yqplmklgtqtvpcnkillwsrikdlahqftqvdmftladtllgyladdltwcgefdtsk
    inyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsvev
    hnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyr