7NI4: Serine-protein kinase ATM

Human ATM kinase domain with bound M4076 inhibitor. Determined by electron microscopy at 3.0 Å resolution. Released 1 Sept 2021.

Method
Electron microscopy
Resolution
3.0 Å
Organism
Homo sapiens
Chains
2
Atoms
23,236
Mol. weight
703.28 kDa
Ligands
ZN, UGK
Released
1 Sept 2021

Explore 7NI4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7NI4 contains 181 α-helices and 35 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: 88 helices, 17 β-strands

ElementResiduesLengthSheet
α-helix1517-152711
α-helix1532-154211
α-helix1543-15475
α-helix1553-15608
α-helix1563-15664
α-helix1569-15713
α-helix1572-158211
α-helix1590-160112
α-helix1607-16104
α-helix1611-162313
α-helix1625-163410
α-helix1639-16413
α-helix1643-165816
α-helix1664-167815
β-strand168711
α-helix1694-17029
α-helix1706-172116
α-helix1727-174216
α-helix1744-175310
α-helix1759-17646
α-helix1787-17893
α-helix1792-17954
α-helix1802-181413
α-helix1822-18254
α-helix1828-18336
α-helix1835-185117
α-helix1857-187317
α-helix1903-191816
α-helix1927-19315
α-helix1938-194710
α-helix1951-197121
α-helix1987-199610
α-helix2001-201212
α-helix2015-20206
α-helix2029-203810
α-helix2042-205110
α-helix2057-207014
α-helix2074-208411
α-helix2093-210614
α-helix2124-213714
α-helix2140-216021
β-strand216511
α-helix2166-21694
α-helix2170-219021
α-helix2195-221117
α-helix2217-223620
α-helix2244-226421
α-helix2269-228113
α-helix2290-230112
α-helix2305-232218
α-helix2331-234818
α-helix2353-23553
α-helix2356-23616
α-helix2362-23676
α-helix2377-240630
α-helix2408-241811
α-helix2443-247634
α-helix2481-24833
α-helix2484-249310
α-helix2500-25034
α-helix2504-25085
α-helix2513-25197
α-helix2520-25267
α-helix2537-255115
α-helix2553-256412
α-helix2568-25736
α-helix2593-261220
α-helix2614-263219
β-strand2645-264622
α-helix2647-26482
α-helix2652-26554
β-strand266313
α-helix2670-26723
β-strand268213
β-strand2685-268624
β-strand2689-269022
β-strand2691-269224
β-strand2700-270564
β-strand2711-271884
α-helix2723-274119
α-helix2743-27475
β-strand2757-275934
β-strand2764-276854
β-strand2773-277535
α-helix2776-27816
α-helix2787-27904
α-helix2798-280710
α-helix2808-28103
α-helix2813-282614
α-helix2833-28386
α-helix2842-286524
α-helix2873-28753
β-strand2876-287945
β-strand2885-288735
α-helix2912-29187
α-helix2922-29243
α-helix2926-294015
α-helix2942-295312
α-helix2964-29707
α-helix3001-301818
β-strand3020-302126
β-strand3024-302526
α-helix3028-303912
α-helix3042-30476
α-helix3050-30523
Chain B: 93 helices, 18 β-strands
ElementResiduesLengthSheet
α-helix1517-15248
α-helix1526-15283
α-helix1532-154615
α-helix1553-15608
α-helix1563-15664
α-helix1572-158211
α-helix1590-160213
α-helix1607-16104
α-helix1611-162313
α-helix1626-16349
α-helix1639-16413
α-helix1643-165816
α-helix1664-167815
β-strand168717
α-helix1694-17029
α-helix1706-172116
α-helix1727-174216
α-helix1744-175310
α-helix1759-17646
α-helix1788-17903
α-helix1792-17954
α-helix1802-181413
α-helix1828-18336
α-helix1836-185116
α-helix1857-187418
α-helix1903-191816
α-helix1920-19212
α-helix1927-19315
α-helix1938-194710
α-helix1951-197121
α-helix1987-199610
α-helix2001-201212
α-helix2015-20206
α-helix2024-20274
α-helix2029-203911
α-helix2042-205110
α-helix2057-207014
α-helix2074-208411
α-helix2091-20922
α-helix2093-210513
α-helix2124-213613
α-helix2140-216021
β-strand216517
α-helix2166-21683
α-helix2170-219021
α-helix2195-221117
α-helix2217-223620
α-helix2241-226424
α-helix2269-228113
α-helix2290-230112
α-helix2305-232218
α-helix2328-234821
α-helix2353-23553
α-helix2356-23616
α-helix2362-23676
α-helix2377-240630
α-helix2408-241811
α-helix2443-247634
α-helix2481-24833
α-helix2484-249310
α-helix2498-25036
α-helix2504-25085
α-helix2513-25197
α-helix2520-25256
α-helix2537-255115
α-helix2553-256412
α-helix2568-25736
α-helix2593-261220
α-helix2614-263219
β-strand2645-264628
α-helix2647-26482
α-helix2652-26554
β-strand265719
α-helix26621
β-strand2663110
α-helix26641
α-helix2670-26723
β-strand2682110
β-strand2683-268649
β-strand2689-269028
β-strand2691-269229
α-helix26991
β-strand2700-270679
β-strand2711-271889
α-helix2723-274119
α-helix2743-27486
β-strand2757-275939
β-strand2764-276859
β-strand2773-2775311
α-helix2776-27816
α-helix2787-27904
α-helix2798-280710
α-helix2808-28103
α-helix2813-282513
α-helix2833-28386
α-helix2842-286625
α-helix2873-28753
β-strand2876-2879411
β-strand2885-2887311
α-helix2896-28994
α-helix2912-29187
α-helix2922-29243
α-helix2926-294015
α-helix2942-295312
α-helix2964-29707
α-helix3001-301818
β-strand3020-3021212
β-strand3024-3025212
α-helix3028-304013
α-helix3042-30465
α-helix3050-30523

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine-protein kinase ATMA, Bprotein3056Homo sapiensQ13315
Sequence of entity 1 (A, B), FASTA
>7NI4_1 Serine-protein kinase ATM (chains A, B)
MSLVLNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDRHSDSKQGKYLNWDAV
FRFLQKYIQKETECLRIAKPNVSASTQASRQKKMQEISSLVKYFIKCANRRAPRLKCQEL
LNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQ
DVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFL
KTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEK
GAYESTKWRSILYNLYDLLVNEISHIGSRGKYSSGFRNIAVKENLIELMADICHQVFNED
TRSLEISQSYTTTQRESSDYSVPCKRKKIELGWEVIKDHLQKSQNDFDLVPWLQIATQLI
SKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDL
LKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVC
CLTLALTTSIVPGTVKMGIEQNMCEVNRSFSLKESIMKWLLFYQLEGDLENSTEVPPILH
SNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECEHHQKDKEELSFSEVEELFLQTTFDKM
DFLTIVRECGIEKHQSSIGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSR
LLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMM
QLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFIKKPFDRGEVESMED
DTNGNLMEVEDQSSMNLFNDYPDSSVSDANEPGESQSTIGAINPLAEEYLSKQDLLFLDM
LKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYP
LPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLT
VIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLAD
NHHQVRMLAAESINRLFQDTKGDSSRLLKALPLKLQQTAFENAYLKAQEGMREMSHSAEN
PETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSET
FGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLV
IRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYD
MLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPANSSASQSTDLCDFSGDLDPAPNPPH
FPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILK
IYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRPSCIMDVSLRSFSLCCDLLSQ
VCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIK
LLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQ
LELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGP
IDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNI
LATKTGHSFWEIYKMTTDPMLAYLQPFRTSRKKFLEVPRFDKENPFEGLDDINLWIPLSE
NHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRN
LLSTHVQGFFTSCLRHFSQTSRSTTPANLDSESEHFFRCCLDKKSQRTMLAVVDYMRRQK
RPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSLAFEEG
SQSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEA
MWGKALVTYDLETAIPSSTRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHY
QAAWRNMQWDHCTSVSKEVEGTSYHESLYNALQSLRDREFSTFYESLKYARVKEVEEMCK
RSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQ
EPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQ
YNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRV
CGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQR
IENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRK
RFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLM
YQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTKPEVARR
SRITKNVPKQSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKT
QRKGINIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGGVNLPK
IIDCVGSDGKERRQLVKGRDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPL
SQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVF
MDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDRHVQNILINE
QSAELVHIDLGVAFEQGKILPTPETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRN
SQETLLTIVEVLLYDPLFDWTMNPLKALYLQQRPEDETELHPTLNADDQECKRNLSDIDQ
SFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRLFPGWKAWV

Ligands and cofactors

IDNameFormulaCopies
ZNZinc ionZn2
UGK8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3…C23 H21 F N6 O32

Primary citation

Molecular basis of human ATM kinase inhibition. Stakyte, K., Rotheneder, M., Lammens, K. et al. Nat Struct Mol Biol (2021) 28:789-798. DOI 10.1038/s41594-021-00654-x · PubMed

Other PDB entries of the same protein (UniProt Q13315), best resolution first:

Browse structure collections

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