PDB entry 5u00

View 5u00 on RCSB PDB site
Description: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluoro-3-iodophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
Class: Hydrolase/Hydrolase Inhibitor
Keywords: phosphodiesterase, Hydrolase-Hydrolase Inhibitor complex
Deposited on 2016-11-22, released 2017-02-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.41 Å
R-factor: N/A
AEROSPACI score: 0.53 (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):
    • Uniprot O00408 (3-End)
      • expression tag (0-2)
    Domains in SCOPe 2.07: d5u00a1, d5u00a2
  • Chain 'B':
    Compound: cGMP-dependent 3',5'-cyclic phosphodiesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE2A
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00408 (3-End)
      • expression tag (2)
    Domains in SCOPe 2.07: d5u00b1, d5u00b2
  • Chain 'C':
    Compound: cGMP-dependent 3',5'-cyclic phosphodiesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE2A
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00408 (3-End)
      • expression tag (2)
    Domains in SCOPe 2.07: d5u00c1, d5u00c2
  • Chain 'D':
    Compound: cGMP-dependent 3',5'-cyclic phosphodiesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE2A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5u00d_
  • Heterogens: 7OV, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5u00A (A:)
    samddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
    cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
    hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
    rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
    wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
    dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldee
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u00A (A:)
    samddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
    cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
    hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
    rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
    wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
    dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5u00B (B:)
    samddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
    cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
    hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
    rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
    wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
    dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldee
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u00B (B:)
    mddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykidcp
    tlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmchd
    ldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyqrm
    ldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkgwk
    ttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllqdl
    fpkaaelyervasnrehwtkvshkftirglpsnnsldfl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5u00C (C:)
    samddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
    cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
    hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
    rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
    wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
    dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldee
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u00C (C:)
    mddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykidcp
    tlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmchd
    ldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyqrm
    ldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkgwk
    ttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllqdl
    fpkaaelyervasnrehwtkvshkftirglpsnnsldfl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5u00D (D:)
    samddeytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykid
    cptlarfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmc
    hdldhrgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyq
    rmldlmrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkg
    wkttrkiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllq
    dlfpkaaelyervasnrehwtkvshkftirglpsnnsldfldee
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u00D (D:)
    eytkllhdgiqpvaaidsnfasftytprslpeddtsmailsmlqdmnfinnykidcptla
    rfclmvkkgyrdppyhnwmhafsvshfcyllyknleltnyledieifalfiscmchdldh
    rgtnnsfqvasksvlaalyssegsvmerhhfaqaiailnthgcnifdhfsrkdyqrmldl
    mrdiilatdlahhlrifkdlqkmaevgydrnnkqhhrlllcllmtscdlsdqtkgwkttr
    kiaeliykeffsqgdlekamgnrpmemmdrekayipelqisfmehiampiykllqdlfpk
    aaelyervasnrehwtkvshkftirglpsnnsldfl