PDB entry 3rop
View 3rop on RCSB PDB site
Description: Crystal structure of human CD38 in complex with compound CZ-50b
Class: hydrolase/hydrolase inhibitor
Keywords: CD38, ADP-ribosyl cyclase, cyclic ADP-ribose, X-crystallography, Calcium signaling, inhibitory compound, covalent intermediate, CZ-50b, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2011-04-26, released
2011-12-28
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: 1.94 Å
R-factor: N/A
AEROSPACI score: 0.41
(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 2.08: d3ropa_ - 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: d3ropb_ - Heterogens: 50A, NCA, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3ropA (A:)
efrwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdit
eedyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcge
fdtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstf
gsvevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpd
kflqcvknpedssc
Sequence, based on observed residues (ATOM records): (download)
>3ropA (A:)
rwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditee
dyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcgefd
tskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgs
vevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdkf
lqcvknpedssc
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3ropB (B:)
efrwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcdit
eedyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcge
fdtskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstf
gsvevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpd
kflqcvknpedssc
Sequence, based on observed residues (ATOM records): (download)
>3ropB (B:)
rwrqtwsgpgttkrfpetvlarcvkyteihpemrhvdcqsvwdafkgafiskhpcditee
dyqplmklgtqtvpcnkillwsrikdlahqftqvqrdmftledtllgyladdltwcgefd
tskinyqscpdwrkdcsnnpvsvfwktvsrrfaeaacdvvhvmldgsrskifdkdstfgs
vevhnlqpekvqtleawvihggredsrdlcqdptikelesiiskrniqfsckniyrpdkf
lqcvknpedssc