PDB entry 6znd

View 6znd on RCSB PDB site
Description: [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors
Class: hydrolase
Keywords: PDE2A inhibitor, FEP, SBDD, Free energy perturbation, molecular dynamics, Alzheimers disease, phosphodiesterase, molecular design, binding free energy, HYDROLASE
Deposited on 2020-07-06, released 2020-07-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-11-25, with a file datestamp of 2020-11-20.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cGMP-dependent 3',5'-cyclic phosphodiesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6znda_
  • Chain 'B':
    Compound: cGMP-dependent 3',5'-cyclic phosphodiesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6zndb_
  • Heterogens: QMZ, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6zndA (A:)
mgsddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldeeyerhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6zndA (A:)
qpvaidsnfasftytprslpeddtsmailsmlqdmnfinnykidcptlarfclmvkkgyr
dppyhnwmhafsvshfcyllyknleltnyledieifalfiscmchdldhrgtnnsfqvas
ksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyqrmldlmrdiilatdla
hhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkgwkttrkiaeliykeff
sqgdlekamgnrpmemmdrekayipelqisfmehiampiykllqdlfpkaaelyervasn
rehwtkvshkftirglpnnsldfl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6zndB (B:)
mgsddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldeeyerhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6zndB (B:)
deytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykidcptl
arfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmchdld
hrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyqrmld
lmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkgwktt
rkiaeliykeffsqgdlekampmemmdrekayipelqisfmehiampiykllqdlfpkaa
elyervasnrehwtkvshkftirglpsnnsldfl