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5TE0

Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues22
Detailsbinding site for residue XIN A 401
ChainResidue
AMET26
AVAL104
AMET126
AASP127
APHE128
ACYS129
AARG130
AGLY132
AGLN133
AASN136
ALEU183
ASER32
AASP194
AHOH645
AHOH668
AILE35
AASP49
AGLU50
ALEU52
AALA53
AALA72
AMET94

site_idAC2
Number of Residues8
Detailsbinding site for residue PEG A 402
ChainResidue
ALYS242
AASP299
ALYS300
AARG301
AGLN306
ASER327
AHOH532
AHOH553

site_idAC3
Number of Residues9
Detailsbinding site for residue GOL A 403
ChainResidue
ALEU142
AGLN143
AGLY145
ACYS256
APHE258
APRO322
AGOL407
AHOH529
AHOH571

site_idAC4
Number of Residues8
Detailsbinding site for residue GOL A 404
ChainResidue
ALEU97
AHIS100
AARG164
AASP278
AGLN284
AHIS287
AHOH513
AHOH517

site_idAC5
Number of Residues9
Detailsbinding site for residue GOL A 405
ChainResidue
APHE202
ATHR240
ATHR241
AASP303
AGLN325
AGOL408
AHOH531
AHOH532
AHOH568

site_idAC6
Number of Residues6
Detailsbinding site for residue GOL A 406
ChainResidue
AVAL210
AASN211
AGLU264
ASER265
AGLN266
AHOH551

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 407
ChainResidue
ATYR257
ASER280
AARG281
AGOL403
AHOH540

site_idAC8
Number of Residues8
Detailsbinding site for residue GOL A 408
ChainResidue
ALYS237
AILE238
ATHR240
ALYS242
AASP299
AGOL405
AHOH524
AHOH577

site_idAC9
Number of Residues11
Detailsbinding site for residue GOL A 409
ChainResidue
ASER98
AHIS100
ALYS101
AILE103
AVAL104
AGLY105
AASP127
AHIS189
AHOH526
AHOH587
AHOH685

site_idAD1
Number of Residues4
Detailsbinding site for residue GOL A 410
ChainResidue
ALYS218
AARG226
AHOH618
AHOH652

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKveNILL
ChainResidueDetails
AILE172-LEU184

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP176

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU52
ALYS74

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18669648
ChainResidueDetails
ATYR234

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648
ChainResidueDetails
ASER235

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ATHR354

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PDB entries from 2024-04-24

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