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6YG2

Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes

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 Residues2
Detailsbinding site for residue EDO A 501
ChainResidue
ATHR201
ADMS511

site_idAC2
Number of Residues5
Detailsbinding site for residue EDO A 502
ChainResidue
AARG156
ATYR247
AASN388
AGLU392
AHOH687

site_idAC3
Number of Residues2
Detailsbinding site for residue EDO A 503
ChainResidue
ALYS244
AHOH674

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AHIS160
AVAL161
ALEU214
AHOH725

site_idAC5
Number of Residues2
Detailsbinding site for residue EDO A 505
ChainResidue
ATHR158
AHIS160

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 506
ChainResidue
ALYS223
AGLY334
AGLN335
APHE336

site_idAC7
Number of Residues5
Detailsbinding site for residue EDO A 507
ChainResidue
AMET142
AGLY216
ATHR217
ALYS221
A8E8514

site_idAC8
Number of Residues3
Detailsbinding site for residue EDO A 508
ChainResidue
ALYS252
AHIS253
AGLY254

site_idAC9
Number of Residues6
Detailsbinding site for residue DMS A 509
ChainResidue
AARG270
AGLY271
AVAL404
AASP405
AVAL406
AALA407

site_idAD1
Number of Residues6
Detailsbinding site for residue DMS A 510
ChainResidue
AGLY120
AALA131
AGLU132
ALEU136
APHE202
A1E8513

site_idAD2
Number of Residues7
Detailsbinding site for residue DMS A 511
ChainResidue
ATHR123
ALEU187
ACYS198
APHE199
AGLY200
AEDO501
AHOH707

site_idAD3
Number of Residues6
Detailsbinding site for residue DMS A 512
ChainResidue
APRO231
AGLU232
AMET363
AGLY364
AHOH718
AHOH742

site_idAD4
Number of Residues13
Detailsbinding site for residue 1E8 A 513
ChainResidue
ATYR121
ALEU122
AILE133
ALEU136
AASN138
AMET153
AGLY200
ATHR201
APHE202
APHE209
AGLN227
ADMS510
AHOH633

site_idAD5
Number of Residues16
Detailsbinding site for residue 8E8 A 514
ChainResidue
AMET142
ASER144
AGLY145
ALYS165
AILE179
AASP182
ALEU183
AMET212
AGLU213
ALEU214
AMET215
ACYS218
ALYS221
AASP277
APHE278
AEDO507

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 Residues23
DetailsRegion: {"description":"DVD domain"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

243911

PDB entries from 2025-10-29

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