PDB entry 3rok

View 3rok on RCSB PDB site
Description: Crystal structure of human CD38 in complex with compound CZ-27
Class: hydrolase/hydrolase inhibitor
Keywords: CD38, ADP-ribosyl cyclase, cyclic ADP-ribose, Calcium signaling, inhibitory compound, covalent intermediate, CZ-27, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-04-26, released 2011-12-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-07-04.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.5 (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 (Start-253)
      • see remark 999 (6)
      • engineered mutation (57)
      • engineered mutation (121)
      • engineered mutation (166)
      • engineered mutation (176)
    Domains in SCOPe 2.08: d3roka_
  • 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 2.08: d3rokb_
  • Heterogens: 27C, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3rokA (A:)
wrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditeed
yqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcgefdt
skinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgsv
evhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdkfl
qcvknpedssc

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

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