Structure of PDB 7otp Chain A Binding Site BS02
Receptor Information
>7otp Chain A (length=3656) Species:
9606
(Homo sapiens) [
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RCSLLRLQETLSAADRCGAALAGHQLIRGLGQECVLSSSPAVLALQTSLV
FSRDFGLLVFVRKSLNSIEFRECREEILKFLCIFLEKMGQKIAPYSVEIK
NTCTSVYTKDALDLLIKLLQTFRSSRLMDEFKIGELFSKFYGELALKKKI
PDTVLEKVYELLGLLGEVHPSEMINNAENLFRAFLGELKTQMLPVLAGCL
KGLSSLLCNFTKSMEEDPQTSREIFNFVLKAIRPQIDLKRYAVPSAGLRL
FALHASQFSTCLLDNYVSLFEVLLKWCAHTNVELKKAALSALESFLKQVS
NMVAKNAEMHKNKLQYFMEQFYGIIRNVDSNNKELSIAIRGYGLFAGPCK
VINAKDVDFMYVELIQRCKQMFLTQTDTGDDRVYQMPSFLQSVASVLLYL
DTVPEVYTPVLEHLVVMQIDSFPQYSPKMQLVCCRAIVKVFLALAAKGPV
LRNCISTVVHQGLIRICSKPVVLPWKVPTYKDYVDLFRHLLSSDQMMDSI
LADEAFFSVNSSSESLNHLLYDEFVKSVLKIVEKLDLTLEIQMIPTSDPA
ANLHPAKPKDFSAFINLVEFCREILPEKQAEFFEPWVYSFSYELILQSTR
LPLISGFYKLLSITVRNAKKIKYFEGVSPDPEKYSCFALFVKFGKEVAVK
MKQYKDELLASCLTFLLSLPHNIIELDVRAYVPALQMAFKLGLSYTPLAE
VGLNALEEWSIYIDRHVMQPYYKDILPCLDGYLKTSALSLEEIRIRVVQM
LGSLGGQINKNLLTVTSSDEMMKSYVAWDREKRLSFAVPFREMKPVIFLD
VFLPRVTELALTASDRQTKVAACELLHSMVMFMLGKATQMGAPPMYQLYK
RTFPVLLRLACDVDQVTRQLYEPLVMQLIHWFTNNKKFESQDTVALLEAI
LDGIVDPVDSTLRDFCGRCIREFLKWSIKQITPQQQEKSPVNTKSLFKRL
YSLALHPNAFKRLGASLAFNNIYREFREEESLVEQFVFEALVIYMESLAL
AHADEKSLGTIQQCCDAIDHLCRIIEKKHVSLNKAKKRRLPRGFPPSASL
CLLDLVKWLLAHCGRPQTECRHKSIELFYKFVPLLPGNRSPNLWLKDVLK
EEGVSFLINTFEGGGCGQPSGILAQPTLLYLRGPFSLQATLCWLDLLLAA
LECYNTFIGERTVGALQVLGTEAQSSLLKAVAFFLESIAMHDIIAAEKCT
GAAGNRTSPQEGERYNYSKCTVVVRIMEFTTTLLNTSPEGWKLLKKDLCN
THLMRVLVQTLCEPASIGFNIGDVQVMAHLPDVCVNLMKALKMSPYKDIL
ETHLREKITAQSIEELCAVNLYGPDAQVDRSRLAAVVSACKQLHRAGLLH
NILPSQSTDLHHSVGTELLSLVYKGIAPGDERQCLPSLDLSCKQLASGLL
ELAFAFGGLCERLVSLLLNPAVLSTASVIHFSHGEYFYSLFSETINTELL
KNLDLAVLELMQSSVDNTKMVSAVLNGMLDQSFRERANQKHQGLKLATTI
LQHWKKCDSWWAKDSPLETKMAVLALLAKILQIDSSVSFNTSHGSFPEVF
TTYISLLADTKLDLHLKGQAVTLLPFFTSLTGGSLEELRRVLEQLIVAHF
PMQSREFPPGTPRFNNYVDCMKKFLDALELSQSPMLLELMTEVLCREQQH
VMEELFQSSFRRIARRGSCVTQVGLLESVYEMFRKDDPRLSFTRQSFVDR
SLLTLLWHCSLDALREFFSTIVVDAIDVLKSRFTKLNESTFDTQITKKMG
YYKILDVMYSRLPKDDVHAKESKINQVFHGSCITEGNELTKTLIKLCYDA
FTENMAGENQLLERRRLYHCAAYNCAISVICCVFNELKFYQGFLFSEKPE
KNLLIFENLIDLKMDELNRHECMAPLTALVKHMHRSLPRDLPSWMKFLHG
KLGNPIVPLNIRLFLAKLVINTEEVFRPYAKHWLSPLLQLAASENNGGEG
IHYMVVEIVATILSWTGLATPTGVPKDEVLANRLLNFLMKHVFHPKRAVF
RHNLEIIKTLVECWKDCLSIPYRLIFEKFSGKDPNSKDNSVGIQLLGIVM
ANDLPPYDPQCGIQSSEYFQALVNNMSFVRYKEVYAAAAEVLGLILRYVM
ERKNILEESLCELVAKQLKQHQNTMEDKFIVCLNKVTKSFPPLADRFMNA
VFFLLPKFHGVLKTLCLEVVLCRVEGMTELYFQLKSKDFVQVMRHRDDER
QKVCLDIIYKMMPKLKPVELRELLNPVVEFVSHPSTTCREQMYNILMWIH
DNYRDPESETDNDSQEIFKLAKDVLIQGLIDENPGLQLIIRNFWSHETRL
PSNTLDRLLALNSLYSPKIEVHFLSLATNFLLEMTSMSPDYPNPMFEIQI
KHSSLITPLQAVAQRDPIIAKQLFSSLFSGILKEMDKFKTLSEKNNITQK
LLQDFNRFLNTTFSFFPPFVSCIQDISCQHAALLSLDPAAVSAGCLASLQ
QPVGIRLLEEALLRLLPLPPDVLRWVELAKLYRSIGEYDVLRGIFTSEIG
TKQITQSALLAEARSDYSEAAKQYDEALNKQDWVDGEPTEAEKDFWELAS
LDCYNHLAEWKSLEYCSTASIDSENPPDLNKIWSEPFYQETYLPYMIRSK
LKLLLQGEADQSLLTFIDKAMHGELQKAILELHYSQELSLLYLLQDDVDR
AKYYIQNGIQSFMQNYSSIDVLLHQSRLTKLQSVQALTEIQEFISFISKQ
GNLSSQVPLKRLLNTWTNRYPDAKMDPMNIWDDIITNRCFFLSKIEEKLD
ISSLIRSCKFSMKMKMIDSARKQNNFSLAMKLLKELHKESKTRDDWLVSW
VQSYCRLSHCRSRSQGCSEQVLTVLKTVSLLDENNVSSYLSKNILAFRDQ
NILLGTTYRIIANALSSEPACLAEIEEDKARRILELSGSSSEDSEKVIAG
LYQRAFQHLSEAVQAAEEEAPAAGVIDAYMTLADFCDQQLRKEEENLQAY
PALVVEKMLKALKLNSNEARLKFPRLLQIIERYPEETLSLMTKEISSVPC
WQFISWISHMVALLDKDQAVAVQHSVEEITDNYPQAIVYPFIISSESYSF
KDTSTGHKNKEFVARIKSKLDQGGVIQDFINALDQLSNPELLFKDWSNDV
RAELAKTPVNKKNIEKMYERMYAALGDPKAPGLGAFRRKFIQTFGKEFDK
HFGKGGSKLLRMKLSDFNDITNMLLLKMNKDSKPPGNLKECSPWMSDFKV
EFLRNELEIPGQYDGRGKPLPEYHVRIAGFDERVTVMASLRRPKRIIIRG
HDEREHPFLVKGGEDLRQDQRVEQLFQVMNGILAQDSACSQRALQLRTYS
VVPMTSRLGLIEWLENTVTLKDLLLNTMSQEEKAAYLSDPRAPPCEYKDW
LTKMSGKHDVGAYMLMYKGANRTETVTSFRKRESKVPADLLKRAFVRMST
SPEAFLALRSHFASSHALICISHWILGIGDRHLNNFMVAMETGGVIGIDF
GHAFGSATQFLPVPELMPFRLTRQFINLMLPMKETGLMYSIMVHALRAFR
SDPGLLTNTMDVFVKEPSFDWKNFEQKMLKKGGSWIQEINVAEKNWYPRQ
KICYAKRKLAGANPAVITCDELLLGHEKAPAFRDYVAVARGSKDHNIRAQ
EPESGLSEETQVKCLMDQATDPNILGRTWEGWEPWMAAAAAAAAAAAAAA
AAAAAA
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
7otp Chain A Residue 6102 [
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Receptor-Ligand Complex Structure
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PDB
7otp
Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Resolution
3.4 Å
Binding residue
(original residue number in PDB)
N3927 D3941
Binding residue
(residue number reindexed from 1)
N3435 D3449
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.11.1
: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0003690
double-stranded DNA binding
GO:0003723
RNA binding
GO:0004672
protein kinase activity
GO:0004674
protein serine/threonine kinase activity
GO:0004677
DNA-dependent protein kinase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016301
kinase activity
GO:0019899
enzyme binding
GO:0019904
protein domain specific binding
GO:0034511
U3 snoRNA binding
GO:0035979
histone H2AXS139 kinase activity
GO:0044024
histone H2AS1 kinase activity
GO:0061629
RNA polymerase II-specific DNA-binding transcription factor binding
GO:0106310
protein serine kinase activity
Biological Process
GO:0000460
maturation of 5.8S rRNA
GO:0000723
telomere maintenance
GO:0001756
somitogenesis
GO:0001933
negative regulation of protein phosphorylation
GO:0002218
activation of innate immune response
GO:0002326
B cell lineage commitment
GO:0002327
immature B cell differentiation
GO:0002328
pro-B cell differentiation
GO:0002360
T cell lineage commitment
GO:0006281
DNA repair
GO:0006302
double-strand break repair
GO:0006303
double-strand break repair via nonhomologous end joining
GO:0006310
DNA recombination
GO:0006338
chromatin remodeling
GO:0006468
protein phosphorylation
GO:0006974
DNA damage response
GO:0007420
brain development
GO:0007507
heart development
GO:0008630
intrinsic apoptotic signaling pathway in response to DNA damage
GO:0010212
response to ionizing radiation
GO:0010332
response to gamma radiation
GO:0016233
telomere capping
GO:0016310
phosphorylation
GO:0018105
peptidyl-serine phosphorylation
GO:0018107
peptidyl-threonine phosphorylation
GO:0019219
regulation of nucleobase-containing compound metabolic process
GO:0030098
lymphocyte differentiation
GO:0031571
mitotic G1 DNA damage checkpoint signaling
GO:0031648
protein destabilization
GO:0032869
cellular response to insulin stimulus
GO:0033077
T cell differentiation in thymus
GO:0033151
V(D)J recombination
GO:0033152
immunoglobulin V(D)J recombination
GO:0033153
T cell receptor V(D)J recombination
GO:0034462
small-subunit processome assembly
GO:0035234
ectopic germ cell programmed cell death
GO:0036211
protein modification process
GO:0042254
ribosome biogenesis
GO:0042752
regulation of circadian rhythm
GO:0043065
positive regulation of apoptotic process
GO:0043066
negative regulation of apoptotic process
GO:0045087
innate immune response
GO:0045621
positive regulation of lymphocyte differentiation
GO:0045648
positive regulation of erythrocyte differentiation
GO:0045727
positive regulation of translation
GO:0045944
positive regulation of transcription by RNA polymerase II
GO:0048511
rhythmic process
GO:0048660
regulation of smooth muscle cell proliferation
GO:0050678
regulation of epithelial cell proliferation
GO:0080135
regulation of cellular response to stress
GO:0097681
double-strand break repair via alternative nonhomologous end joining
GO:0160049
negative regulation of cGAS/STING signaling pathway
GO:1902036
regulation of hematopoietic stem cell differentiation
GO:1905221
positive regulation of platelet formation
GO:2001034
positive regulation of double-strand break repair via nonhomologous end joining
Cellular Component
GO:0000781
chromosome, telomeric region
GO:0000785
chromatin
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005667
transcription regulator complex
GO:0005730
nucleolus
GO:0005829
cytosol
GO:0005958
DNA-dependent protein kinase-DNA ligase 4 complex
GO:0016020
membrane
GO:0032040
small-subunit processome
GO:0032991
protein-containing complex
GO:0032993
protein-DNA complex
GO:0070418
DNA-dependent protein kinase complex
GO:0070419
nonhomologous end joining complex
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7otp
,
PDBe:7otp
,
PDBj:7otp
PDBsum
7otp
PubMed
34987222
UniProt
P78527
|PRKDC_HUMAN DNA-dependent protein kinase catalytic subunit (Gene Name=PRKDC)
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