PDB entry 3kc3

View 3kc3 on RCSB PDB site
Description: MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
Class: transferase
Keywords: MAPKAP-K2, MK2, TNFalpha, diaminopyrimidine, ATP-binding, Kinase, Nucleotide-binding, Phosphoprotein, Serine/threonine-protein kinase, Transferase
Deposited on 2009-10-20, released 2010-01-12
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.233
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3a_
  • Chain 'B':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3b_
  • Chain 'C':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3c_
  • Chain 'D':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3d_
  • Chain 'E':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3e_
  • Chain 'F':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3f_
  • Chain 'G':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3g_
  • Chain 'H':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3h_
  • Chain 'I':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3i_
  • Chain 'J':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3j_
  • Chain 'K':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3k_
  • Chain 'L':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3kc3l_
  • Heterogens: MK2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kc3A (A:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3A (A:)
    fpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkar
    revelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrafterease
    imksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvapevlg
    pekydkscdmwslgvimyillcgyppfysnhispgmktrirmgqyefpnpewsevseevk
    mlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3kc3B (B:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3B (B:)
    pqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarr
    evelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvapev
    lgpekydkscdmwslgvimyillcgyppfysispgmktrirmgqyefpnpewsevseevk
    mlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedkerw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3kc3C (C:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3C (C:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfaketpyyvapevl
    gpekydkscdmwslgvimyillcgyppfysmktrirmgqyefpnpewsevseevkmlirn
    llkteptqrmtitefmnhpwimqstkvpqtplhtsrvlked
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3kc3D (D:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3D (D:)
    fhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarrev
    elhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdtereaseimksig
    eaiqylhsiniahrdvkpenllytskrpnailkltdfgfaketvapevlgpekydkscdm
    wslgvimyillcgyppfispgmktrirmgqyefpnpewsevseevkmlirnllkteptqr
    mtitefmnhpwimqstkvpqtplhtsrvl
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3kc3E (E:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3E (E:)
    pqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarr
    evelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvapev
    lgpekydkscdmwslgvimyillcgyppfysnispgmktrirmgqyefpnpewsevseev
    kmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlked
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3kc3F (F:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3F (F:)
    pqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarr
    evelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvapev
    lgpekydkscdmwslgvimyillcgyppfysnhispgmktrirmgqyefpnpewsevsee
    vkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedkerwe
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3kc3G (G:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3G (G:)
    fpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkar
    revelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrftereasei
    mksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettvapevlgpeky
    dkscdmwslgvimyillcgyppfysnhgmktrirmgqyefpnpewsevseevkmlirnll
    kteptqrmtitefmnhpwimqstkvpqtplhtsrvl
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3kc3H (H:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3H (H:)
    pqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarr
    evelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvapev
    lgekydkscdmwslgvimyillcgyppfysnspgmktrirmgqyefpnpewsevseevkm
    lirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedkerwe
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >3kc3I (I:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3I (I:)
    qfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarre
    velhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqaftereas
    eimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettyvapevlgp
    ekydkscdmwslgvimyillcgyppfysnispgmktrirmgqyefpnpewsevseevkml
    irnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedkerwedvkeem
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >3kc3J (J:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3J (J:)
    fpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkar
    revelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrafterease
    imksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshpyyvapev
    lgpekydkscdmwslgvimyillcgyppfysnpgmktrirmgqyefpnpewsevseevkm
    lirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedker
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >3kc3K (K:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3K (K:)
    pqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarr
    evelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafterea
    seimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettvapevlgp
    ekydkscdmwslgvimyillcgyppfysgmktrirmgqyefpnpewsevseevkmlirnl
    lkteptqrmtitefmnhpwimqstkvpqtplhtsrvlked
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >3kc3L (L:)
    qqfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpk
    arrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafte
    reaseimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettshnsl
    ttpcytpyyvapevlgpekydkscdmwslgvimyillcgyppfysnhglaispgmktrir
    mgqyefpnpewsevseevkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsr
    vlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kc3L (L:)
    qfpqfhvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpka
    rrevelhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqafter
    easeimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettpyyvap
    evlgpekydkscdmwslgvimyillcgyppfysispgmktrirmgqyefpnpewsevsee
    vkmlirnllkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedker