Structure of PDB 7pw4 Chain A

Receptor sequence

>7pw4A (length=1944) Species: 9606 (Homo sapiens)

AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAGAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAFSTNFRDTVDILVGSLTQQVSGWLQSLEA
FSTTLLGQFLEDMEAYAEDLSSVSLPKLAALLRVFSTVVRSIAYVTDVLY
RVMRCVTAANQVFFSEAVLTAANECVGVLLGSLDPSMTIHCDMVITYGLD
QLENCQTCGTDYIISVLNLLTLIVEQINTKLPSSFVEKLFIPSSKLLFLR
YHKEKEVVAVAHAVYQAVLSLKNIPVLETAYKLILGEMTCALNNLLHSLQ
LPEACSEIKHEAFKNHVFNVDNAKFVVIFDLSALTTIGNAKNWALSPTVF
ALLSKNLMIVHSDLAVHFPAIQYAVLYTLYSHCTRHDHFISSSTVTTATK
KHFSIILNLLGILLKKDNLNQDTRKLLMTWALEAAVLMRKSETYAPLFSL
PSFHKFCKGLLANTLVEDVNICLQACSSLHALSSSLPDDLLQRCVDVCRV
QLVHSGTRIRQAFGKLLKSIPLDVVLSNNNHTEIQEISLALRSHMSKAPS
NTFHPQDFSDVISFILYGNSHRTNWLERLFYSCQRLDKTIPRNLLKTDAV
LWQWAIWEAAQFTVLSKLRTPLGRAQDTFQTIEGIIRSLAAHTLNPDQDV
SQWTTADNDEGHGNNQLRLVLLLQYLENLEKLMYNAYEGCANALTSPPKV
IRTFFYTNRQTCQDWLTRIRLSIMRVGLLAGQPAVTVRHGFDLLTEMKTN
ELEVTIMMVVEALCELHCPEAIQGIAVWSSSINLLWINSVAQQAEGRFEK
ASVEYQEHLCAMTGVDCCISSFDKSVLTLANSSPEVINYLGNKACECYIS
IADWAAVQEWQNSIHDLKKSTSSTSLNLKADFNYIKSLSSFESGKFVECT
EQLELLPGENINLDMKKLLPNMLSPDPRELQKSIEVQLLRSSVCLATALN
WQSITENVVKYLKQTSRIAIGPLRLSTLTVSQSLPVLSTLQLYCSSALEN
TVSNRLSTEDCLIPLFSEALRSCKQHDVRPWMQALRYTMYQNQLLEKIKE
QTVPIRSHLMELGLTAAKFARKRGNVSLATRLLAQCSETTAQDLVQHFKK
WGPELDIEKTKLLYTAGQSTHAMEMLSSCAISFCKSVKAEYAVAKSILTL
AKWIQAEWKEISGQLKQVYRAQHQLSTLSKNILTLIELPSIESESTVHIG
VGEPDFILGQLYHLSSVQAPEVAKSWAALASWAYRWGRKVVDNASAAAAA
AAAAAAAAAAAAAAAGAAGAAAAAAAAAAAAAAAAAAEGVIKVWRKVVDR
IFSLYKLSCSAYFTFLKLNAQSTDDMIVMATLRLLRLLVKHAGELRQYLE
HGLETTPTAPWRGIIPQLFSRLNHPEVYVRQSICNLLCRVAQDSPHLILY
PAIVGTIQAMMQDCYSKIVDKLSSANPTMVLQVQMLVAELRRVTWDELWL
GVLLQQHMYVLAAAAAAAAAAAAAAAAPHEKWFQDNYGDAIENALEKLKA
AAAAAAAAAAAAAAAYILRLEEIAAMTNTEIALPGEVSARDTVTIHSVGG
TITILPTKTKPKKLLFLGSDGKSYPYLFKGLEDLHLDERIMQFLSIVNTM
FATINRQETPRFHARHYSVTPLGTRSGLIQWVDGATPLFGLYKRWQQREA
ALQAQKIVPRPSELYYSKIGPALKTVGLSLDVSRRDWPLHVMKAVLEELM
EATPPNLLAKELWSSCTTPDEWWRVTQSYARSTAVMSMVGYIIGLGDRHL
DNVLIDMTTGEVVHIDYNVCFEKGKSLRVPEKVPFRMTQNIETALGVTGV
EGVFRLSCEQVLHIMRRGRETLLTLLEAFVYDPLVDWTASYAVSVWKRVK
AKLEGRDVDPNRRMSVAEQVDYVIKEATNLDNLAQLYEGWTAWV

3D structure

• PDB: 7pw4 Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
• Chain: A
• Resolution: 3.27 Å

Enzymatic activity

• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	IHP	A	K1386 K1434 K1489 Y1519 K1523 K1530 K1617	K1074 K1122 K1161 Y1191 K1195 K1202 K1274
BS02	88C	A	K2155 L2160 D2163 I2205 Q2206 W2207 V2208 L2342 I2353 D2354 N2356	K1629 L1634 D1637 I1679 Q1680 W1681 V1682 L1804 I1815 D1816 N1818	BindingDB: IC50=0.110000nM

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0004697 diacylglycerol-dependent serine/threonine kinase activity
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0042162 telomeric DNA binding
• GO:0044024 histone H2AS1 kinase activity
• GO:0046872 metal ion binding
• GO:0106310 protein serine kinase activity

Biological Process

• GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
• GO:0006281 DNA repair
• GO:0006338 chromatin remodeling
• GO:0006406 mRNA export from nucleus
• GO:0006974 DNA damage response
• GO:0016310 phosphorylation
• GO:0018105 peptidyl-serine phosphorylation
• GO:0019219 regulation of nucleobase-containing compound metabolic process
• GO:0032204 regulation of telomere maintenance
• GO:0046777 protein autophosphorylation
• GO:0046854 phosphatidylinositol phosphate biosynthetic process

Cellular Component

• GO:0005634 nucleus
• GO:0005654 nucleoplasm
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0033391 chromatoid body

External links

• PDB: RCSB:7pw4, PDBe:7pw4, PDBj:7pw4
• PDBsum: 7pw4
• PubMed: 34698635
• UniProt: Q96Q15|SMG1_HUMAN Serine/threonine-protein kinase SMG1 (Gene Name=SMG1)