7PW7: Human SMG1-9 kinase complex

Human SMG1-9 kinase complex bound to a SMG1 inhibitor. Determined by electron microscopy at 3.59 Å resolution. Released 1 Dec 2021.

Method
Electron microscopy
Resolution
3.59 Å
Organism
Homo sapiens
Chains
2
Atoms
16,227
Mol. weight
456.87 kDa
Ligands
MG, ATP, 88C, IHP
Released
1 Dec 2021

Explore 7PW7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7PW7 contains 131 α-helices and 32 β-strands across 2 chains. 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: 118 helices, 15 β-strands

ElementResiduesLengthSheet
α-helix148-1558
α-helix166-1694
α-helix171-1733
α-helix192-1976
α-helix208-21811
α-helix230-24314
α-helix249-26416
α-helix271-28414
α-helix291-30212
α-helix314-3229
α-helix336-34611
α-helix356-37520
α-helix395-41016
α-helix429-44315
α-helix450-46617
α-helix476-48611
α-helix494-51017
α-helix517-5215
α-helix530-5323
α-helix539-55315
α-helix558-58225
α-helix590-5923
α-helix595-5973
α-helix604-61714
α-helix619-6224
α-helix638-6403
α-helix641-6455
α-helix648-6503
α-helix653-6564
α-helix658-67316
α-helix676-6783
α-helix699-7024
α-helix707-71913
α-helix725-74218
α-helix746-7527
α-helix755-76713
α-helix773-78513
α-helix792-80514
β-strand80811
α-helix812-82211
α-helix826-8294
α-helix836-85015
α-helix852-8532
α-helix859-87012
α-helix882-8898
α-helix903-9053
β-strand90811
α-helix909-92618
α-helix936-95520
α-helix970-99829
α-helix1006-10094
α-helix1010-10189
α-helix1020-104021
α-helix1044-105714
α-helix1070-108314
α-helix1086-109611
α-helix1107-11159
α-helix1118-113316
α-helix1144-11507
α-helix1180-119617
α-helix1200-121718
α-helix1228-123912
α-helix1242-12509
α-helix1256-12583
α-helix1282-130423
α-helix1318-133013
α-helix1333-13408
α-helix1348-136619
α-helix1371-13733
α-helix1379-13824
α-helix1391-140616
α-helix1407-14093
α-helix1418-143316
α-helix1438-144912
α-helix1459-14668
α-helix1480-149314
α-helix1497-151216
α-helix1521-153414
α-helix1536-155015
α-helix1560-156910
α-helix1589-15913
α-helix1598-161114
α-helix1616-163621
α-helix1647-16559
α-helix1664-167310
α-helix1704-171613
α-helix1729-173911
α-helix1743-175614
α-helix1782-179817
α-helix1804-18107
α-helix1823-18286
α-helix1836-184914
α-helix1857-18648
α-helix1925-193713
α-helix1942-195716
α-helix1963-197715
α-helix2007-201913
α-helix2036-20438
α-helix2047-20559
α-helix2069-208214
β-strand2090-209122
α-helix21071
β-strand210813
α-helix21091
α-helix2118-21192
β-strand212013
β-strand2121-212444
β-strand2127-212822
β-strand2129-213024
β-strand2138-214474
β-strand2149-215574
α-helix2161-217515
α-helix2180-21823
β-strand2195-219734
β-strand2203-220644
β-strand2212-221325
α-helix2214-223118
α-helix2249-226416
α-helix2277-228812
α-helix2294-230310
α-helix2307-233125
α-helix2338-23403
β-strand2341-234335
β-strand2350-235235
α-helix2362-23643
α-helix2377-23815
α-helix2391-240515
α-helix2407-241812
α-helix3608-362114
α-helix3629-36313
α-helix3633-364513
α-helix3647-36504
α-helix3655-36573
Chain C: 13 helices, 17 β-strands
ElementResiduesLengthSheet
β-strand181-18446
β-strand19016
α-helix195-1973
β-strand20217
β-strand205-21176
α-helix217-2259
α-helix243-2486
β-strand256-26056
β-strand265-26846
α-helix276-2838
α-helix296-31318
β-strand317-32266
α-helix330-3389
β-strand366-37496
α-helix376-3794
α-helix381-39414
β-strand40116
β-strand40318
β-strand40719
α-helix408-4114
α-helix419-4213
β-strand42618
β-strand42719
β-strand428-43256
α-helix466-47813
β-strand486110
β-strand488110
β-strand49117
α-helix492-50716
α-helix511-5177

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
SMG1,Serine/threonine-protein kinase SMG1,SMG1,Serine/threonine-protein kinase…Aprotein3657Homo sapiensQ96Q15 (AlphaFold model)
Protein SMG9Cprotein520Homo sapiensQ9H0W8 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7PW7_1 SMG1,Serine/threonine-protein kinase SMG1,SMG1,Serine/threonine-protein kinase SMG1,SMG1,Serine/threonine-protein kinase SMG1,SMG1,Serine/threonine-protein kinase SMG1 (chains A)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Sequence of entity 2 (C), FASTA
>7PW7_2 Protein SMG9 (chains C)
MSESGHSQPGLYGIERRRRWKEPGSGGPQNLSGPGGRERDYIAPWERERRDASEETSTSV
MQKTPIILSKPPAERSKQPPPPTAPAAPPAPAPLEKPIVLMKPREEGKGPVAVTGASTPE
GTAPPPPAAPAPPKGEKEGQRPTQPVYQIQNRGMGTAAPAAMDPVVGQAKLLPPERMKHS
IKLVDDQMNWCDSAIEYLLDQTDVLVVGVLGLQGTGKSMVMSLLSANTPEEDQRTYVFRA
QSAEMKERGGNQTSGIDFFITQERIVFLDTQPILSPSILDHLINNDRKLPPEYNLPHTYV
EMQSLQIAAFLFTVCHVVIVVQDWFTDLSLYRFLQTAEMVKPSTPSPSHESSSSSGSDEG
TEYYPHLVFLQNKARREDFCPRKLRQMHLMIDQLMAHSHLRYKGTLSMLQCNVFPGLPPD
FLDSEVNLFLVPFMDSEAESENPPRAGPGSSPLFSLLPGYRGHPSFQSLVSKLRSQVMSM
ARPQLSHTILTEKNWFHYAARIWDGVRKSSALAEYSRLLA

Ligands and cofactors

IDNameFormulaCopies
MGMagnesium ionMg1
ATPAdenosine-5'-triphosphateC10 H16 N5 O13 P31
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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