7PW6: Human SMG1-8-9 kinase complex

Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body. Determined by electron microscopy at 3.05 Å resolution. Released 1 Dec 2021.

Method
Electron microscopy
Resolution
3.05 Å
Organism
Homo sapiens
Chains
1
Atoms
10,393
Mol. weight
322.13 kDa
Ligands
88C, IHP
Released
1 Dec 2021

Explore 7PW6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7PW6 contains 80 α-helices and 14 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 80 helices, 14 β-strands

ElementResiduesLengthSheet
α-helix792-80514
β-strand80811
α-helix811-82212
α-helix826-8294
α-helix836-85015
α-helix852-8532
α-helix859-87113
α-helix882-8909
α-helix903-9075
β-strand90811
α-helix909-92618
α-helix936-95520
α-helix970-99829
α-helix1006-10094
α-helix1010-10189
α-helix1020-104021
α-helix1044-105714
α-helix1069-108315
α-helix1086-109611
α-helix1107-11148
α-helix1119-113315
α-helix1144-11507
α-helix1180-119617
α-helix1200-121718
α-helix1228-123811
α-helix1243-12497
α-helix1256-12583
α-helix1282-130423
α-helix1318-133114
α-helix1333-13408
α-helix1348-136619
α-helix1371-13733
α-helix1379-13835
α-helix1391-140616
α-helix1407-14093
α-helix1418-143316
α-helix1438-144912
α-helix1459-14657
α-helix1480-149314
α-helix1497-151115
α-helix1519-153416
α-helix1536-155015
α-helix1560-156910
α-helix1596-161116
α-helix1616-163621
α-helix1647-16559
α-helix1664-167310
α-helix1704-171613
α-helix1729-174012
α-helix1742-175615
α-helix1782-179817
α-helix1805-18117
α-helix1817-18193
α-helix1823-18286
α-helix1835-184915
α-helix1857-18648
α-helix1925-193814
α-helix1942-195716
α-helix1963-197513
α-helix2007-201913
α-helix2036-20449
α-helix2047-20559
α-helix2069-208214
β-strand2089-209132
α-helix21071
β-strand210813
α-helix21091
β-strand212013
β-strand2121-212442
β-strand2127-213042
β-strand2138-214472
β-strand2149-215572
α-helix2161-217515
α-helix2180-21823
β-strand2195-219622
β-strand2203-220642
α-helix2207-22093
β-strand2211-221334
α-helix2214-223118
α-helix2251-226414
α-helix2277-228812
α-helix2295-23039
α-helix2307-233125
α-helix2338-23403
β-strand2341-234444
β-strand2349-235244
α-helix2362-23643
α-helix2377-23815
α-helix2391-240515
α-helix2407-241812
α-helix3608-362114
α-helix3633-364513
α-helix3647-36515
α-helix3655-36573

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein…Aprotein2896Homo sapiensQ96Q15 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7PW6_1 Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1 (chains A)
ANTLVEDVNICLQACSSLHALSSSLPDDLLQRCVDVCRVQLVHSGTRIRQAFGKLLKSIP
LDVVLSNNNHTEIQEISLALRSHMSKAPSNTFHPQDFSDVISFILYGNSHRTGKDNWLER
LFYSCQRLDKRDQSTIPRNLLKTDAVLWQWAIWEAAQFTVLSKLRTPLGRAQDTFQTIEG
IIRSLAAHTLNPDQDVSQWTTADNDEGHGNNQLRLVLLLQYLENLEKLMYNAYEGCANAL
TSPPKVIRTFFYTNRQTCQDWLTRIRLSIMRVGLLAGQPAVTVRHGFDLLTEMKTTSLSQ
GNELEVTIMMVVEALCELHCPEAIQGIAVWSSSIVGKNLLWINSVAQQAEGRFEKASVEY
QEHLCAMTGVDCCISSFDKSVLTLANAGRNSASPKHSLNGESRKTVLSKPTDSSPEVINY
LGNKACECYISIADWAAVQEWQNSIHDLKKSTSSTSLNLKADFNYIKSLSSFESGKFVEC
TEQLELLPGENINLLAGGSKEKINMKKLLPNMLSPDPRELQKSIEVQLLRSSVCLATALN
PIEQDQKWQSITENVVKYLKQTSRIAIGPLRLSTLTVSQSLPVLSTLQLYCSSALENTVS
NRLSTEDCLIPLFSEALRSCKQHDVRPWMQALRYTMYQNQLLEKIKEQTVPIRSHLMELG
LTAAKFARKRGNVSLATRLLAQCSEVQLGKTTTAQDLVQHFKKLSTQGQVDEKWGPELDI
EKTKLLYTAGQSTHAMEMLSSCAISFCKSVKAEYAVAKSILTLAKWIQAEWKEISGQLKQ
VYRAQHQQNFTGLSTLSKNILTLIELPSVNTMEEEYPRIESESTVHIGVGEPDFILGQLY
HLSSVQAPEVAKSWAALASWAYRWGRKVVDNASXXXXXXXXXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
XEGVIKVWRKVVDRIFSLYKLSCSAYFTFLKLNAGQIPLDEDDPRLHLSHRVEQSTDDMI
VMATLRLLRLLVKHAGELRQYLEHGLETTPTAPWRGIIPQLFSRLNHPEVYVRQSICNLL
CRVAQDSPHLILYPAIVGTISLSSESQASGNKFSTAIPTLLGNIQGEELLVSECEGGSPP
ASQDSNKDEPKSGLNEDQAMMQDCYSKIVDKLSSANPTMVLQVQMLVAELRRVTVLWDEL
WLGVLLQQHMYVLXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
XXXXXXXXXPHEKWFQDNYGDAIENALEKLKXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
XXYILRLEEISPWLAAMTNTEIALPGEVSARDTVTIHSVGGTITILPTKTKPKKLLFLGS
DGKSYPYLFKGLEDLHLDERIMQFLSIVNTMFATINRQETPRFHARHYSVTPLGTRSGLI
QWVDGATPLFGLYKRWQQREAALQAQKAQDSYQTPQNPGIVPRPSELYYSKIGPALKTVG
LSLDVSRRDWPLHVMKAVLEELMEATPPNLLAKELWSSCTTPDEWWRVTQSYARSTAVMS
MVGYIIGLGDRHLDNVLIDMTTGEVVHIDYNVCFEKGKSLRVPEKVPFRMTQNIETALGV
TGVEGVFRLSCEQVLHIMRRGRETLLTLLEAFVYDPLVDWTAGGEAGFAGAVYGGGGQQA
ESKQSKREMEREITRSLFSSRVAEIKVNWFKNRDEMLVVLPKLDGSLDEYLSLQEQLTDV
EKLQGKLLEEIEFLEGAEGVDHPSHTLQHRYSEHTQLQTQQRAVQEAIQVKLNEFEQWIT
HYQAAFNNLEATQLASLLQEISTQMDLGPPSYVPATAFLQNAGQAHLISQCEQLEGEVGA
LLQQRRSVLRGCLEQLHHYATVALQYPKAIFQKHRIEQWKTWMEELICNTTVERCQELYR
KYEMQYAPQPPPTVCQFITATEMTLQRYAADINSRLIRQVERLKQEAVTVPVCEDQLKEI
ERCIKVFLHENGEEGSLSLASVIISALCTLTRRNLMMEGAASSAGEQLVDLTSRDGAWFL
EELCSMSGNVTCLVQLLKQCHLVPQDLDIPNPMEASETVHLANGVYTSLQELNSNFRQII
FPEALRCLMKGEYTLESMLHELDGLIEQTTDGVPLQTLVESLQAYLRNAAMGLEEETHAH
YIDVARLLHAQYGELIQPRNGSVDETPKMSAGQMLLVAFDGMFAQVETAFSLLVEKLNKM
EIPIAWRKIDIIREARSTQVNFFDDDNHRQVLEEIFFLKRLQTIKEFFRLCGTFSKTLSG
SSSLEDQNTVNGPVQIVNVKTLFRNSCFSEDQMAKPIKAFTADFVRQLLIGLPNQALGLT
LCSFISALGVDIIAQVEAKDFGAESKVSVDDLCKKAVEHNIQIGKFSQLVMNRATVLASS
YDTAWKKHDLVRRLETSISSCKTSLQRVQLHIAMFQWQHEDLLINRPQAMSVTPPPRSAI
LTSMKKKLHTLSQIETSIATVQEKLAALESSIEQRLKWAGGANPALAPVLQDFEATIAER
RNLVLKESQRASQVTFLCSNIIHFESLRTRTAEALNLDAALFELIKRCQQMCSFASQFNS
SVSELELRLLQRVDTGLEHPIGSSEWLLSAHKQLTQDMSTQRAIQTEKEQQIETVCETIQ
NLVDNIKTVLTGHNRQLGDVKHLLKAMAKDEEAALADGEDVPYENSVRQFLGEYKSWQDN
IQTVLFTLVQAMGQVRSQEHVEMLQEITPTLKELKTQSQSIYNNLVSFASPLVTDATNEC
SSPTSSATYQPSFAAAVRSNTGQKTQPDVMSQNARKLIQKNLATSADTPPSTVPGTGKSV
ACSPKKAVRDPKTGKAVQERNSYAVSVWKRVKAKLEGRDVDPNRRMSVAEQVDYVIKEAT
NLDNLAQLYEGWTAWV

Ligands and cofactors

IDNameFormulaCopies
88C1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridi…C27 H28 Cl N7 O3 S1
IHPInositol hexakisphosphateC6 H18 O24 P61

Primary citation

Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Langer, L.M., Bonneau, F., Gat, Y. et al. Elife (2021) 10. DOI 10.7554/eLife.72353 · PubMed

Other PDB entries of the same protein (UniProt Q96Q15 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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