PDB entry 3qi3

View 3qi3 on RCSB PDB site
Description: Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691
Class: hydrolase/hydrolase inhibitor
Keywords: Mutation, glutamine switch, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-01-26, released 2011-04-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-02-19, with a file datestamp of 2014-02-14.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.222
AEROSPACI score: 0.28 (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: PDE, PDE9A
    Database cross-references and differences (RAF-indexed):
    • Uniprot O76083
      • engineered mutation (452)
    Domains in SCOPe 2.07: d3qi3a_
  • Chain 'B':
    Compound: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE, PDE9A
    Database cross-references and differences (RAF-indexed):
    • Uniprot O76083
      • engineered mutation (452)
    Domains in SCOPe 2.07: d3qi3b_
  • Heterogens: PDB, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qi3A (A:)
    mgsgsssyrpkaiyldidgriqkvifskycnssdimdlfciatglprnttisllttddam
    vsidptmpansertpykvrpvaikqlsereeliqsvlaqvaeqfsrafkinelkaevanh
    lavlekrveleglkvveiekcksdikkmreelaarssrtncpckysfldnhkkltprrdv
    ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
    cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
    ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
    latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
    leeyfmqsdrekseglpvapfmdrdkvtkataeigfikfvlipmfetvtklfpmveeiml
    qplwesrdryeelkriddamkelqkktdsltsgateksrersrdvknsegdca
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qi3A (A:)
    ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
    cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
    ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
    latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
    leeyfmqsdrekseglpvapfmdrdkvtkataeigfikfvlipmfetvtklfpmveeiml
    qplwesrdryeelkriddamkelqk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qi3B (B:)
    mgsgsssyrpkaiyldidgriqkvifskycnssdimdlfciatglprnttisllttddam
    vsidptmpansertpykvrpvaikqlsereeliqsvlaqvaeqfsrafkinelkaevanh
    lavlekrveleglkvveiekcksdikkmreelaarssrtncpckysfldnhkkltprrdv
    ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
    cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
    ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
    latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
    leeyfmqsdrekseglpvapfmdrdkvtkataeigfikfvlipmfetvtklfpmveeiml
    qplwesrdryeelkriddamkelqkktdsltsgateksrersrdvknsegdca
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qi3B (B:)
    ptypkyllspetiealrkptfdvwlwepnemlsclehmyhdlglvrdfsinpvtlrrwlf
    cvhdnyrnnpfhnfrhcfcvaqmmysmvwlcslqekfsqtdililmtaaichdldhpgyn
    ntyqinartelavryndisplenhhcavafqilaepecnifsnippdgfkqirqgmitli
    latdmarhaeimdsfkekmenfdysneehmtllkmilikccdisnevrpmevaepwvdcl
    leeyfmqsdrekseglpvapfmdrdkvtkataeigfikfvlipmfetvtklfpmveeiml
    qplwesrdryeelkriddamkelqk