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6S1J

Crystal Structure of DYRK1A with small molecule inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0046777biological_processprotein autophosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues12
Detailsbinding site for residue KRK A 501
ChainResidue
AILE165
ALEU294
AVAL306
AHOH677
AGLY166
APHE170
AVAL173
AALA186
ALYS188
APHE238
AGLU239
ALEU241

site_idAC2
Number of Residues11
Detailsbinding site for residue EDO A 502
ChainResidue
AASN198
AGLN199
AGLN199
AILE202
AILE202
ATYR319
ATYR319
AHOH610
AHOH610
AHOH639
AHOH639

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
ATHR466
AARG467
AILE468
AGLN469
ATYR472
AHOH778

site_idAC4
Number of Residues2
Detailsbinding site for residue EDO A 504
ChainResidue
AALA382
AHIS383

site_idAC5
Number of Residues4
Detailsbinding site for residue EDO A 505
ChainResidue
AVAL376
ALYS422
ALEU423
AHIS424

site_idAC6
Number of Residues5
Detailsbinding site for residue DMS A 506
ChainResidue
AASN365
AGLU366
AVAL367
ALYS393
ASO4511

site_idAC7
Number of Residues5
Detailsbinding site for residue EDO A 507
ChainResidue
AMET336
AASP463
APRO464
ALYS465
AHOH603

site_idAC8
Number of Residues6
Detailsbinding site for residue EDO A 508
ChainResidue
ATYR243
AASN251
ALEU274
AHOH625
AHOH652
AHOH774

site_idAC9
Number of Residues7
Detailsbinding site for residue SO4 A 509
ChainResidue
ASER169
ALYS193
ALYS194
AHOH613
AHOH675
AHOH701
AHOH745

site_idAD1
Number of Residues6
Detailsbinding site for residue SO4 A 510
ChainResidue
AASN144
ATYR145
ASER169
ALYS191
ALYS193
AHOH641

site_idAD2
Number of Residues5
Detailsbinding site for residue SO4 A 511
ChainResidue
AASN232
AARG325
AARG328
AGLU366
ADMS506

site_idAD3
Number of Residues4
Detailsbinding site for residue SO4 A 512
ChainResidue
ALYS264
AARG300
ASER301
AHOH805

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGKGSFGQVVkAydrveqew..........VAIK
ChainResidueDetails
AILE165-LYS188

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHcDLKpeNILL
ChainResidueDetails
AILE283-LEU295

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues6
DetailsModified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues1
DetailsModified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"UniProtKB","id":"Q63470","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues1
DetailsModified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"23665168","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

246333

PDB entries from 2025-12-17

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