PDB entry 3roq

View 3roq on RCSB PDB site
Description: Crystal structure of human CD38 in complex with compound CZ-46
Class: hydrolase/hydrolase inhibitor
Keywords: CD38, ADP-ribosyl cyclase, cyclic ADP-ribose, Calcium signaling, inhibitory compound, covalent intermediate, CZ-46, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-04-26, released 2011-12-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (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 (2-253)
      • see remark 999 (6)
      • engineered mutation (57)
      • engineered mutation (121)
      • engineered mutation (166)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d3roqa_
  • Chain 'B':
    Compound: ADP-ribosyl cyclase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: CD38
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28907 (2-253)
      • see remark 999 (6)
      • engineered mutation (57)
      • engineered mutation (121)
      • engineered mutation (166)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d3roqb_
  • Heterogens: 46Z, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3roqA (A:)
efrwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdit
eedyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcge
fdtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstf
gsvevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpd
kflqcvknpedssc

    Sequence, based on observed residues (ATOM records): (download) 
    >3roqA (A:)
rwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditee
dyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcgefd
tskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgs
vevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdkf
lqcvknpedssc

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3roqB (B:)
efrwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdit
eedyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcge
fdtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstf
gsvevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpd
kflqcvknpedssc

    Sequence, based on observed residues (ATOM records): (download) 
    >3roqB (B:)
rwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditee
dyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcgefd
tskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgs
vevhnlqpekvqtleawvihggdsrdlcqdptikelesiiskrniqfsckniyrpdkflq
cvknpedssc