7OTY: DNA-PKcs

DNA-PKcs in complex with M3814. Determined by electron microscopy at 2.96 Å resolution. Released 12 Jan 2022.

Method
Electron microscopy
Resolution
2.96 Å
Organism
Homo sapiens
Chains
1
Atoms
29,034
Mol. weight
471.86 kDa
Ligands
1IX
Released
12 Jan 2022

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

Secondary structure: helices and β-sheets

7OTY contains 218 α-helices and 22 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: 218 helices, 22 β-strands

ElementResiduesLengthSheet
α-helix12-2211
α-helix35-4410
α-helix50-523
α-helix54-574
α-helix59-624
α-helix64-707
α-helix76-9621
α-helix104-11512
α-helix129-14517
α-helix154-1618
α-helix174-1774
α-helix180-1845
α-helix192-20615
α-helix218-2225
α-helix224-2318
α-helix242-25413
α-helix267-27711
α-helix285-2884
α-helix290-30112
α-helix308-32922
α-helix335-35016
α-helix357-36812
α-helix371-3766
α-helix380-39213
α-helix393-3975
α-helix407-4093
α-helix410-42314
α-helix432-44413
α-helix454-46815
α-helix473-4742
α-helix475-4806
α-helix481-49212
α-helix494-4963
α-helix525-5273
α-helix528-5347
α-helix540-5445
α-helix560-57718
β-strand583-58531
β-strand612-61431
α-helix617-63317
α-helix639-6424
α-helix643-6453
α-helix646-65914
α-helix664-67815
α-helix698-71720
α-helix718-7203
α-helix725-7339
α-helix738-75821
α-helix763-77917
α-helix782-7854
α-helix786-7883
α-helix789-7924
α-helix793-7953
α-helix797-7993
α-helix848-86114
α-helix867-8715
α-helix873-8764
β-strand893-89532
β-strand904-90632
α-helix908-9103
α-helix911-92010
α-helix926-94419
α-helix959-97315
α-helix978-99619
α-helix1008-10147
α-helix1024-104320
α-helix1046-10494
α-helix1056-106712
α-helix1072-108514
α-helix1093-111321
α-helix1114-11163
α-helix1123-114018
α-helix1142-11454
β-strand114913
α-helix1152-11543
β-strand116313
α-helix1165-117410
α-helix1175-11773
α-helix1181-119414
α-helix1195-11973
α-helix1204-121411
α-helix1218-12258
α-helix1253-127220
α-helix1278-12814
α-helix1290-12989
α-helix1327-135024
α-helix1355-13584
α-helix1365-137713
α-helix1379-13824
α-helix1391-140818
α-helix1412-14209
α-helix1425-14328
α-helix1442-146120
α-helix1464-14674
α-helix1477-14804
α-helix14821
α-helix1483-14875
α-helix1488-14903
α-helix1507-151913
α-helix1525-15328
β-strand153714
β-strand154015
β-strand155115
β-strand155414
α-helix1555-157319
α-helix1575-158410
α-helix1592-160615
α-helix1612-162413
α-helix1626-16294
α-helix1639-165517
α-helix1668-167912
α-helix1686-16927
α-helix1696-16983
α-helix1707-172115
α-helix1734-175320
α-helix1756-176611
α-helix1775-178511
α-helix1791-180515
α-helix1814-18185
α-helix1819-18246
α-helix1825-18284
α-helix1835-185218
α-helix1863-188119
α-helix1886-18894
β-strand189816
β-strand190216
α-helix1911-192414
α-helix1934-195522
α-helix1971-19733
α-helix2094-210512
α-helix2124-213411
α-helix2140-215213
α-helix2161-217111
α-helix2184-219512
α-helix2206-222116
α-helix2228-224417
α-helix2255-22606
α-helix2269-228214
α-helix2297-23059
α-helix2306-23083
α-helix2313-233220
α-helix2338-235316
α-helix2358-236811
α-helix2372-23776
α-helix2379-23857
α-helix2386-23883
α-helix2392-240312
α-helix2413-24175
α-helix2420-24245
α-helix2430-244213
α-helix2443-24453
α-helix2448-245811
α-helix2470-248314
α-helix2495-250814
α-helix2509-25113
α-helix2515-252511
α-helix2535-25439
α-helix2548-25503
α-helix2551-256313
α-helix2788-279811
α-helix2802-282322
α-helix2826-284621
α-helix2852-286413
α-helix2873-288311
α-helix2886-289813
α-helix2918-293215
α-helix2936-294611
α-helix2952-296110
α-helix2965-297612
α-helix2988-300417
α-helix3008-30136
α-helix3041-305414
α-helix3060-306910
α-helix3075-30795
α-helix3083-309210
α-helix3096-311621
α-helix3122-31309
α-helix3133-314513
α-helix3154-316613
α-helix3176-319318
α-helix3231-324818
α-helix3252-32609
α-helix3272-328615
α-helix3294-330613
α-helix3319-33235
α-helix3324-334320
α-helix3346-33516
α-helix3354-336310
α-helix3370-339223
α-helix3407-342822
α-helix3442-345514
α-helix3459-34624
α-helix3465-34717
α-helix3476-34794
α-helix3481-34877
α-helix3494-34985
α-helix3499-35057
α-helix3515-352410
α-helix3530-35378
α-helix3548-356215
α-helix3567-35759
α-helix3576-35783
α-helix3581-359313
α-helix3609-36168
α-helix3627-36359
α-helix3640-36434
α-helix3658-367013
β-strand370017
β-strand371817
β-strand3719-372248
β-strand3736-374278
β-strand3746-375278
α-helix3759-377719
α-helix3779-37835
β-strand3793-379758
β-strand3800-380458
α-helix3805-38062
β-strand3809-381139
α-helix3812-38176
α-helix3822-38298
α-helix3835-384511
α-helix3854-38618
α-helix3864-387512
α-helix3882-38898
α-helix3894-391825
β-strand3928-393149
β-strand3937-393939
α-helix3948-39514
α-helix3965-39706
α-helix3979-399315
α-helix3995-400713
α-helix4009-40113
α-helix4013-40219
α-helix4041-405010
α-helix4056-406712
α-helix4074-40829
α-helix4100-411213
α-helix4114-41174
α-helix6003-60097
α-helix6011-60144

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
DNA-dependent protein kinase catalytic subunit,DNA-PKcsAprotein4148Homo sapiensP78527
Sequence of entity 1 (A), FASTA
>7OTY_1 DNA-dependent protein kinase catalytic subunit,DNA-PKcs (chains A)
MAGSGAGVRCSLLRLQETLSAADRCGAALAGHQLIRGLGQECVLSSSPAVLALQTSLVFS
RDFGLLVFVRKSLNSIEFRECREEILKFLCIFLEKMGQKIAPYSVEIKNTCTSVYTKDRA
AKCKIPALDLLIKLLQTFRSSRLMDEFKIGELFSKFYGELALKKKIPDTVLEKVYELLGL
LGEVHPSEMINNAENLFRAFLGELKTQMTSAVREPKLPVLAGCLKGLSSLLCNFTKSMEE
DPQTSREIFNFVLKAIRPQIDLKRYAVPSAGLRLFALHASQFSTCLLDNYVSLFEVLLKW
CAHTNVELKKAALSALESFLKQVSNMVAKNAEMHKNKLQYFMEQFYGIIRNVDSNNKELS
IAIRGYGLFAGPCKVINAKDVDFMYVELIQRCKQMFLTQTDTGDDRVYQMPSFLQSVASV
LLYLDTVPEVYTPVLEHLVVMQIDSFPQYSPKMQLVCCRAIVKVFLALAAKGPVLRNCIS
TVVHQGLIRICSKPVVLPKGPESESEDHRASGEVRTGKWKVPTYKDYVDLFRHLLSSDQM
MDSILADEAFFSVNSSSESLNHLLYDEFVKSVLKIVEKLDLTLEIQTVGEQENGDEAPGV
WMIPTSDPAANLHPAKPKDFSAFINLVEFCREILPEKQAEFFEPWVYSFSYELILQSTRL
PLISGFYKLLSITVRNAKKIKYFEGVSPKSLKHSPEDPEKYSCFALFVKFGKEVAVKMKQ
YKDELLASCLTFLLSLPHNIIELDVRAYVPALQMAFKLGLSYTPLAEVGLNALEEWSIYI
DRHVMQPYYKDILPCLDGYLKTSALSDETKNNWEVSALSRAAQKGFNKVVLKHLKKTKNL
SSNEAISLEEIRIRVVQMLGSLGGQINKNLLTVTSSDEMMKSYVAWDREKRLSFAVPFRE
MKPVIFLDVFLPRVTELALTASDRQTKVAACELLHSMVMFMLGKATQMPEGGQGAPPMYQ
LYKRTFPVLLRLACDVDQVTRQLYEPLVMQLIHWFTNNKKFESQDTVALLEAILDGIVDP
VDSTLRDFCGRCIREFLKWSIKQITPQQQEKSPVNTKSLFKRLYSLALHPNAFKRLGASL
AFNNIYREFREEESLVEQFVFEALVIYMESLALAHADEKSLGTIQQCCDAIDHLCRIIEK
KHVSLNKAKKRRLPRGFPPSASLCLLDLVKWLLAHCGRPQTECRHKSIELFYKFVPLLPG
NRSPNLWLKDVLKEEGVSFLINTFEGGGCGQPSGILAQPTLLYLRGPFSLQATLCWLDLL
LAALECYNTFIGERTVGALQVLGTEAQSSLLKAVAFFLESIAMHDIIAAEKCFGTGAAGN
RTSPQEGERYNYSKCTVVVRIMEFTTTLLNTSPEGWKLLKKDLCNTHLMRVLVQTLCEPA
SIGFNIGDVQVMAHLPDVCVNLMKALKMSPYKDILETHLREKITAQSIEELCAVNLYGPD
AQVDRSRLAAVVSACKQLHRAGLLHNILPSQSTDLHHSVGTELLSLVYKGIAPGDERQCL
PSLDLSCKQLASGLLELAFAFGGLCERLVSLLLNPAVLSTASLGSSQGSVIHFSHGEYFY
SLFSETINTELLKNLDLAVLELMQSSVDNTKMVSAVLNGMLDQSFRERANQKHQGLKLAT
TILQHWKKCDSWWAKDSPLETKMAVLALLAKILQIDSSVSFNTSHGSFPEVFTTYISLLA
DTKLDLHLKGQAVTLLPFFTSLTGGSLEELRRVLEQLIVAHFPMQSREFPPGTPRFNNYV
DCMKKFLDALELSQSPMLLELMTEVLCREQQHVMEELFQSSFRRIARRGSCVTQVGLLES
VYEMFRKDDPRLSFTRQSFVDRSLLTLLWHCSLDALREFFSTIVVDAIDVLKSRFTKLNE
STFDTQITKKMGYYKILDVMYSRLPKDDVHAKESKINQVFHGSCITEGNELTKTLIKLCY
DAFTENMAGENQLLERRRLYHCAAYNCAISVICCVFNELKFYQGFLFSEKPEKNLLIFEN
LIDLKRRYNFPVEVEVPMERKKKYIEIRKEAREAANGDSDGPSYMSSLSYLADSTLSEEM
SQFDFSTGVQSYSYSSQDPRPATGRFRRREQRDPTVHDDVLELEMDELNRHECMAPLTAL
VKHMHRSLGPPQGEEDSVPRDLPSWMKFLHGKLGNPIVPLNIRLFLAKLVINTEEVFRPY
AKHWLSPLLQLAASENNGGEGIHYMVVEIVATILSWTGLATPTGVPKDEVLANRLLNFLM
KHVFHPKRAVFRHNLEIIKTLVECWKDCLSIPYRLIFEKFSGKDPNSKDNSVGIQLLGIV
MANDLPPYDPQCGIQSSEYFQALVNNMSFVRYKEVYAAAAEVLGLILRYVMERKNILEES
LCELVAKQLKQHQNTMEDKFIVCLNKVTKSFPPLADRFMNAVFFLLPKFHGVLKTLCLEV
VLCRVEGMTELYFQLKSKDFVQVMRHRDDERQKVCLDIIYKMMPKLKPVELRELLNPVVE
FVSHPSTTCREQMYNILMWIHDNYRDPESETDNDSQEIFKLAKDVLIQGLIDENPGLQLI
IRNFWSHETRLPSNTLDRLLALNSLYSPKIEVHFLSLATNFLLEMTSMSPDYPNPMFEHP
LSECEFQEYTIDSDWRFRSTVLTPMFVETQASQGTLQTRTQEGSLSARWPVAGQIRATQQ
QHDFTLTQTADGRSSFDWLTGSSTDPLVDHTSPSSDSLLFAHKRSERLQRAPLKSVGPDF
GKKRLGLPGDEVDNKVKGAAGRTDLLRLRRRFMRDQEKLSLMYARKGVAEQKREKEIKSE
LKMKQDAQVVLYRSYRHGDLPDIQIKHSSLITPLQAVAQRDPIIAKQLFSSLFSGILKEM
DKFKTLSEKNNITQKLLQDFNRFLNTTFSFFPPFVSCIQDISCQHAALLSLDPAAVSAGC
LASLQQPVGIRLLEEALLRLLPAELPAKRVRGKARLPPDVLRWVELAKLYRSIGEYDVLR
GIFTSEIGTKQITQSALLAEARSDYSEAAKQYDEALNKQDWVDGEPTEAEKDFWELASLD
CYNHLAEWKSLEYCSTASIDSENPPDLNKIWSEPFYQETYLPYMIRSKLKLLLQGEADQS
LLTFIDKAMHGELQKAILELHYSQELSLLYLLQDDVDRAKYYIQNGIQSFMQNYSSIDVL
LHQSRLTKLQSVQALTEIQEFISFISKQGNLSSQVPLKRLLNTWTNRYPDAKMDPMNIWD
DIITNRCFFLSKIEEKLTPLPEDNSMNVDQDGDPSDRMEVQEQEEDISSLIRSCKFSMKM
KMIDSARKQNNFSLAMKLLKELHKESKTRDDWLVSWVQSYCRLSHCRSRSQGCSEQVLTV
LKTVSLLDENNVSSYLSKNILAFRDQNILLGTTYRIIANALSSEPACLAEIEEDKARRIL
ELSGSSSEDSEKVIAGLYQRAFQHLSEAVQAAEEEAQPPSWSCGPAAGVIDAYMTLADFC
DQQLRKEEENASVIDSAELQAYPALVVEKMLKALKLNSNEARLKFPRLLQIIERYPEETL
SLMTKEISSVPCWQFISWISHMVALLDKDQAVAVQHSVEEITDNYPQAIVYPFIISSESY
SFKDTSTGHKNKEFVARIKSKLDQGGVIQDFINALDQLSNPELLFKDWSNDVRAELAKTP
VNKKNIEKMYERMYAALGDPKAPGLGAFRRKFIQTFGKEFDKHFGKGGSKLLRMKLSDFN
DITNMLLLKMNKDSKPPGNLKECSPWMSDFKVEFLRNELEIPGQYDGRGKPLPEYHVRIA
GFDERVTVMASLRRPKRIIIRGHDEREHPFLVKGGEDLRQDQRVEQLFQVMNGILAQDSA
CSQRALQLRTYSVVPMTSRLGLIEWLENTVTLKDLLLNTMSQEEKAAYLSDPRAPPCEYK
DWLTKMSGKHDVGAYMLMYKGANRTETVTSFRKRESKVPADLLKRAFVRMSTSPEAFLAL
RSHFASSHALICISHWILGIGDRHLNNFMVAMETGGVIGIDFGHAFGSATQFLPVPELMP
FRLTRQFINLMLPMKETGLMYSIMVHALRAFRSDPGLLTNTMDVFVKEPSFDWKNFEQKM
LKKGGSWIQEINVAEKNWYPRQKICYAKRKLAGANPAVITCDELLLGHEKAPAFRDYVAV
ARGSKDHNIRAQEPESGLSEETQVKCLMDQATDPNILGRTWEGWEPWMXXXXXXXXXXXX
XXXXXXXX

Ligands and cofactors

IDNameFormulaCopies
1IX(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-m…C24 H21 Cl F N5 O31

Primary citation

Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Liang, S., Thomas, S.E., Chaplin, A.K. et al. Nature (2022) 601:643-648. DOI 10.1038/s41586-021-04274-9 · PubMed

Other PDB entries of the same protein (UniProt P78527), best resolution first:

Browse structure collections

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