PDB entry 4mq1

View 4mq1 on RCSB PDB site
Description: The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Class: transferase/transferase inhibitor
Keywords: dyrk1a, dyrk1b, kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-09-15, released 2013-12-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-12-18, with a file datestamp of 2013-12-13.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.204
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dual specificity tyrosine-phosphorylation-regulated kinase 1a
    Species: Homo sapiens [TaxId:9606]
    Gene: DYRK1A, DYRK, MNB, MNBH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mq1a_
  • Chain 'B':
    Compound: dual specificity tyrosine-phosphorylation-regulated kinase 1a
    Species: Homo sapiens [TaxId:9606]
    Gene: DYRK1A, DYRK, MNB, MNBH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mq1b_
  • Chain 'C':
    Compound: dual specificity tyrosine-phosphorylation-regulated kinase 1a
    Species: Homo sapiens [TaxId:9606]
    Gene: DYRK1A, DYRK, MNB, MNBH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mq1c_
  • Chain 'D':
    Compound: dual specificity tyrosine-phosphorylation-regulated kinase 1a
    Species: Homo sapiens [TaxId:9606]
    Gene: DYRK1A, DYRK, MNB, MNBH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4mq1d_
  • Heterogens: 2C3, 1PE, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4mq1A (A:)
smsshkkerkvyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqew
vaikiiknkkaflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsyn
lydllrntnfrgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaik
ivdfgsscqlgqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsga
nevdqmnkivevlgippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklh
nilgvetggpggrragesghtvadylkfkdlilrmldydpktriqpyyalqhsffkktad
e

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq1A (A:)
vyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqewvaikiiknkk
aflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsynlydllrntnf
rgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaikivdfgsscql
gqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsganevdqmnkiv
evlgippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklhnilgvetggp
ggrragesghtvadylkfkdlilrmldydpktriqpyyalqhsffk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4mq1B (B:)
smsshkkerkvyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqew
vaikiiknkkaflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsyn
lydllrntnfrgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaik
ivdfgsscqlgqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsga
nevdqmnkivevlgippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklh
nilgvetggpggrragesghtvadylkfkdlilrmldydpktriqpyyalqhsffkktad
e

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq1B (B:)
vyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqewvaikiiknkk
aflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsynlydllrntnf
rgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaikivdfgsscql
gqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsganevdqmnkiv
evlgippahildqapkarkffeklpdgtwnlkkteykppgtrklhnilgvetggpggrra
gesghtvadylkfkdlilrmldydpktriqpyyalqhsffk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4mq1C (C:)
smsshkkerkvyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqew
vaikiiknkkaflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsyn
lydllrntnfrgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaik
ivdfgsscqlgqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsga
nevdqmnkivevlgippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklh
nilgvetggpggrragesghtvadylkfkdlilrmldydpktriqpyyalqhsffkktad
e

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq1C (C:)
vyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqewvaikiiknkk
aflnqaqievrllelmnkhmkyyivhlkrhfmfrnhlclvfemlsynlydllrntnfrgv
slnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaikivdfgsscqlgqr
iyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsganevdqmnkivevl
gippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklhnilgvettvadyl
kfkdlilrmldydpktriqpyyalqhsff

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4mq1D (D:)
smsshkkerkvyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqew
vaikiiknkkaflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsyn
lydllrntnfrgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaik
ivdfgsscqlgqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsga
nevdqmnkivevlgippahildqapkarkffeklpdgtwnlkktkdgkreykppgtrklh
nilgvetggpggrragesghtvadylkfkdlilrmldydpktriqpyyalqhsffkktad
e

    Sequence, based on observed residues (ATOM records): (download) 
    >4mq1D (D:)
vyndgydddnydyivkngekwmdryeidsligkgsfgqvvkaydrveqewvaikiiknkk
aflnqaqievrllelmnkhdtemkyyivhlkrhfmfrnhlclvfemlsynlydllrntnf
rgvslnltrkfaqqmctallflatpelsiihcdlkpenillcnpkrsaikivdfgsscql
gqriyqyiqsrfyrspevllgmpydlaidmwslgcilvemhtgeplfsganevdqmnkiv
evlgippahildqapkarkffekwnlkktkkreykppgtrklhnilgvetggpggrrage
shtvadylkfkdlilrmldydpktriqpyyalqhsff