PDB entry 4y87

View 4y87 on RCSB PDB site
Description: Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
Class: hydrolase/hydrolase inhibitor
Keywords: Phosphodiesterase 9A, inhibitor selectivity pocket, pharmacokinetics, enantiomeric differentiation, hydrolase-hydrolase inhibitor complex
Deposited on 2015-02-16, released 2015-09-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-25, with a file datestamp of 2019-12-20.
Experiment type: XRAY
Resolution: 3.1 Å
R-factor: N/A
AEROSPACI score: 0.13 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE9A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4y87a_
  • Chain 'B':
    Compound: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE9A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4y87b_
  • Heterogens: 49E, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4y87A (A:)
mgsgsssyrpkaiyldidgriqkvifskycnssdimdlfciatglprnttisllttddam
vsidptmpansertpykvrpvaikqlsereeliqsvlaqvaeqfsrafkinelkaevanh
lavlekrveleglkvveiekcksdikkmreelaarssrtncpckysfldnhkkltprrdv
ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
leeyfmqsdrekseglpvapfmdrdkvtkataqigfikfvlipmfetvtklfpmveeiml
qplwesrdryeelkriddamkelqkktdsltsgateksrersrdvknsegdca

    Sequence, based on observed residues (ATOM records): (download) 
    >4y87A (A:)
kyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlfcvhd
nyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgynntyq
inartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitlilatd
marhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdclleey
fmqsdrekseglpvapfmdrdkvtkataqigfikfvlipmfetvtklfpmveeimlqplw
esrdryeelkriddamkelqkk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4y87B (B:)
mgsgsssyrpkaiyldidgriqkvifskycnssdimdlfciatglprnttisllttddam
vsidptmpansertpykvrpvaikqlsereeliqsvlaqvaeqfsrafkinelkaevanh
lavlekrveleglkvveiekcksdikkmreelaarssrtncpckysfldnhkkltprrdv
ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
leeyfmqsdrekseglpvapfmdrdkvtkataqigfikfvlipmfetvtklfpmveeiml
qplwesrdryeelkriddamkelqkktdsltsgateksrersrdvknsegdca

    Sequence, based on observed residues (ATOM records): (download) 
    >4y87B (B:)
ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
leeyfmqsdrekseglpvapfmdrdkvtkataqigfikfvlipmfetvtklfpmveeiml
qplwesrdryeelkriddamkelqkk