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6YZ4

Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site

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 Residues3
Detailsbinding site for residue EDO A 501
ChainResidue
AHIS160
AVAL161
AHOH606

site_idAC2
Number of Residues4
Detailsbinding site for residue EDO A 502
ChainResidue
AGLU213
AMET215
AASP277
AHOH761

site_idAC3
Number of Residues3
Detailsbinding site for residue EDO A 503
ChainResidue
AHOH826
ATHR201
AEDO504

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 504
ChainResidue
ATHR201
AILE203
AILE305
AASP306
AEDO503
AHOH605
AHOH714

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 505
ChainResidue
APRO231
AGLU232
AMET363
AGLY364
AHOH796
AHOH806

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 506
ChainResidue
AGLU251
ALYS252
AHIS253
AGLY254

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
AARG156
ATYR247
AASN388
ALEU391

site_idAC8
Number of Residues2
Detailsbinding site for residue EDO A 508
ChainResidue
ATYR338
ACYS341

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO A 509
ChainResidue
AGLN353
AGLU354
AGLU355
ALYS379
AHOH803

site_idAD1
Number of Residues7
Detailsbinding site for residue DMS A 510
ChainResidue
AALA131
AGLU132
AILE133
ALEU136
APHE202
A1E8514
AHOH631

site_idAD2
Number of Residues1
Detailsbinding site for residue DMS A 511
ChainResidue
ATHR158

site_idAD3
Number of Residues6
Detailsbinding site for residue DMS A 512
ChainResidue
ATHR123
ALEU187
ACYS198
APHE199
AGLY200
AHOH609

site_idAD4
Number of Residues4
Detailsbinding site for residue DMS A 513
ChainResidue
AGLU141
AVAL150
ATRP151
ALYS416

site_idAD5
Number of Residues12
Detailsbinding site for residue 1E8 A 514
ChainResidue
ATYR121
ALEU122
AILE133
AASN138
ATRP151
AMET153
AGLY200
ATHR201
APHE209
AGLN227
ADMS510
AHOH645

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ViHrDVKpsNILL
ChainResidueDetails
AVAL255-LEU267

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
AASP259

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALYS165
AMET142

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphoserine; by MAP3K => ECO:0000250
ChainResidueDetails
ASER287

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphothreonine; by MAP3K => ECO:0000250
ChainResidueDetails
ATHR291

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PDB entries from 2024-06-12

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