9L46: ATR-ATRIP-bound with AMP-PNP

ATR-ATRIP-bound with AMP-PNP. Determined by electron microscopy at 6.29 Å resolution. Released 21 May 2025.

Method
Electron microscopy
Resolution
6.29 Å
Organism
Homo sapiens
Chains
4
Atoms
25,675
Mol. weight
776.44 kDa
Ligands
AGS
Released
21 May 2025

Explore 9L46 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9L46 contains 292 α-helices and 35 β-strands across 4 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: 134 helices, 14 β-strands

ElementResiduesLengthSheet
α-helix92-11120
α-helix116-13722
α-helix139-16527
α-helix199-22022
α-helix227-23913
α-helix242-25918
α-helix266-28116
α-helix285-2906
α-helix293-30210
α-helix308-3125
α-helix315-32612
α-helix340-34910
α-helix350-3556
α-helix366-38015
α-helix393-41018
α-helix463-47917
α-helix486-4938
α-helix496-5005
α-helix501-5055
α-helix506-5083
α-helix534-5363
α-helix537-55317
α-helix561-57717
α-helix584-59512
α-helix615-6206
α-helix630-64213
α-helix649-66113
α-helix665-67814
α-helix680-6845
α-helix691-6955
α-helix701-71313
α-helix760-7634
α-helix765-7695
α-helix784-7874
α-helix800-81415
α-helix824-83310
α-helix842-86019
α-helix863-87917
α-helix884-89714
α-helix904-91815
α-helix923-9297
α-helix932-94615
α-helix965-98218
α-helix987-100519
α-helix1008-102114
α-helix1026-104217
α-helix1047-106014
α-helix1066-10705
α-helix1074-10829
α-helix1088-110114
α-helix1116-113924
α-helix1145-116218
α-helix1164-118320
α-helix1187-120216
α-helix1208-122518
α-helix1227-124115
α-helix1259-127517
α-helix1281-129212
α-helix1297-132226
α-helix1328-13292
α-helix1330-134314
α-helix1348-136114
α-helix1363-13653
α-helix1388-13925
α-helix1393-140614
α-helix1412-142716
α-helix1438-14458
α-helix1448-14547
α-helix1482-14854
α-helix1487-150115
α-helix1506-152015
α-helix1522-153716
α-helix1542-155716
α-helix1574-159825
α-helix1622-163514
α-helix1638-164811
α-helix1651-166414
α-helix1669-168315
α-helix1686-169510
α-helix1703-171210
α-helix1715-172814
α-helix1733-174614
α-helix1749-176214
α-helix1771-178111
α-helix1784-17929
α-helix1801-18099
α-helix1816-183520
α-helix1843-18464
α-helix1848-186821
α-helix1883-18897
α-helix1891-18922
α-helix1897-191115
α-helix1914-193421
α-helix1937-19459
α-helix1955-196612
α-helix1969-198315
α-helix1987-19904
α-helix1993-201220
α-helix2018-203114
α-helix2036-205419
α-helix2063-207816
α-helix2083-210725
α-helix2112-213221
α-helix2135-214713
α-helix2154-217017
α-helix2172-218514
α-helix2188-220417
α-helix2206-222722
α-helix2239-22435
α-helix2244-22518
α-helix2256-22572
β-strand225911
α-helix2260-22612
β-strand226812
α-helix2269-22724
α-helix2275-22795
β-strand228512
β-strand229211
β-strand230113
α-helix2302-23032
β-strand2311-231223
β-strand2324-232633
α-helix2332-235120
α-helix2353-23586
α-helix2366-23694
β-strand2376-237723
β-strand238514
α-helix2386-239712
α-helix2403-24097
α-helix2417-24237
α-helix2424-24285
α-helix2429-24313
α-helix2436-24438
α-helix2447-247125
β-strand248214
β-strand2483-248425
β-strand2489-249025
α-helix2501-25044
α-helix2518-25236
α-helix2536-254510
α-helix2547-255812
β-strand255916
β-strand256416
α-helix2567-25693
α-helix2585-260016
α-helix2612-26154
α-helix2616-262712
α-helix2632-26354
Chain B: 124 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix90-11223
α-helix117-13721
α-helix139-16527
β-strand173-17537
β-strand193-19427
α-helix199-21416
α-helix217-2204
α-helix223-23816
α-helix244-25815
α-helix266-27510
α-helix277-2848
α-helix286-30217
α-helix309-3124
α-helix318-33114
α-helix340-35617
α-helix365-38420
α-helix390-3923
α-helix393-40816
α-helix467-47913
α-helix487-50721
α-helix537-55216
α-helix562-57110
α-helix574-5796
α-helix586-5883
α-helix589-5935
α-helix631-64212
α-helix649-6557
α-helix665-68016
α-helix689-6979
α-helix704-7107
α-helix804-81411
α-helix819-83214
α-helix840-86021
α-helix863-87816
α-helix884-89714
α-helix902-91514
α-helix922-9298
α-helix931-94717
α-helix965-98218
α-helix993-100614
α-helix1010-102112
α-helix1035-10428
α-helix1074-10785
α-helix1081-10866
α-helix1088-10925
α-helix1124-113916
α-helix1145-116117
α-helix1168-118316
α-helix1190-120213
α-helix1210-122516
α-helix1227-125024
α-helix1261-127111
α-helix1281-129212
α-helix1297-132226
β-strand132518
α-helix1328-13292
α-helix1330-134011
α-helix1348-136114
α-helix1390-140011
α-helix1403-14097
α-helix1411-142717
α-helix1441-14455
α-helix1450-14589
α-helix1482-14843
α-helix1488-150114
α-helix1505-152016
α-helix1522-153817
α-helix1542-155716
α-helix1570-159728
α-helix1621-163515
α-helix1638-164811
α-helix1652-166413
α-helix1669-168315
α-helix1688-16958
α-helix1699-17013
α-helix1702-171211
α-helix1719-172810
α-helix1733-174412
α-helix1749-176113
α-helix1765-178117
α-helix1784-179310
α-helix1800-181314
α-helix1817-183721
α-helix1843-186826
α-helix1883-18897
α-helix1894-191017
α-helix1914-193421
α-helix1937-194610
α-helix1953-196614
α-helix1969-198315
α-helix1994-201219
α-helix2018-203114
α-helix2036-205419
α-helix2062-207817
α-helix2081-210727
α-helix2112-213221
α-helix2135-214915
α-helix2156-217015
α-helix2172-218413
α-helix2188-220417
α-helix2206-222722
β-strand2236-223729
α-helix2239-22424
α-helix2244-22518
α-helix2256-22572
α-helix2259-22613
α-helix2263-22664
α-helix2268-22703
β-strand227118
α-helix22721
α-helix2279-22824
β-strand2296110
β-strand2300-230129
β-strand2310-2313411
β-strand2314110
α-helix2315-23162
β-strand2323-2328611
α-helix2332-234110
α-helix2344-23518
α-helix2353-23586
β-strand2374-2378511
α-helix2379-23802
β-strand2385112
α-helix2386-239712
α-helix2403-24086
α-helix2417-243115
α-helix2436-24438
α-helix2447-245913
α-helix2463-24719
β-strand2474113
β-strand2482112
β-strand2497113
α-helix2501-25044
α-helix2517-25237
α-helix2531-254515
α-helix2547-255913
α-helix2586-260015
α-helix2616-262813
α-helix2630-26356
Chain C: 16 helices, 4 β-strands
ElementResiduesLengthSheet
α-helix302-31716
α-helix372-39120
β-strand411115
α-helix414-43926
α-helix465-48824
β-strand489115
α-helix490-4989
α-helix537-54711
α-helix557-57418
α-helix579-5835
α-helix586-5938
α-helix600-61516
β-strand625116
α-helix631-64111
α-helix650-66819
β-strand680116
α-helix681-70323
α-helix711-73323
α-helix737-7437
α-helix745-76117
Chain D: 18 helices, 2 β-strands
ElementResiduesLengthSheet
α-helix409-4102
β-strand411114
α-helix416-42813
α-helix470-48819
β-strand489114
α-helix490-4989
α-helix537-5448
α-helix559-57416
α-helix5761
α-helix579-5868
α-helix590-5934
α-helix602-6076
α-helix611-6155
α-helix621-6244
α-helix633-6419
α-helix649-66921
α-helix681-70424
α-helix711-73323
α-helix737-76125
α-helix767-77610

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine/threonine-protein kinase ATRA, Bprotein2644Homo sapiensQ13535 (AlphaFold model)
ATR-interacting proteinC, Dprotein791Homo sapiensQ8WXE1 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>9L46_1 Serine/threonine-protein kinase ATR (chains A, B)
MGEHGLELASMIPALRELGSATPEEYNTVVQKPRQILCQFIDRILTDVNVVAVELVKKTD
SQPTSVMLLDFIQHIMKSSPLMFVNVSGSHEAKGSCIEFSNWIITRLLRIAATPSCHLLH
KKICEVICSLLFLFKSKSPAIFGVLTKELLQLFEDLVYLHRRNVMGHAVEWPVVMSRFLS
QLDEHMGYLQSAPLQLMSMQNLEFIEVTLLMVLTRIIAIVFFRRQELLLWQIGCVLLEYG
SPKIKSLAISFLTELFQLGGLPAQPASTFFSSFLELLKHLVEMDTDQLKLYEEPLSKLIK
TLFPFEAEAYRNIEPVYLNMLLEKLCVMFEDGVLMRLKSDLLKAALCHLLQYFLKFVPAG
YESALQVRKVYVRNICKALLDVLGIEVDAEYLLGPLYAALKMESMEIIEEIQCQTQQENL
SSNSDGISPKRRRLSSSLNPSKRAPKQTEEIKHVDMNQKSILWSALKQKAESLQISLEYS
GLKNPVIEMLEGIAVVLQLTALCTVHCSHQNMNCRTFKDCQHKSKKKPSVVITWMSLDFY
TKVLKSCRSLLESVQKLDLEATIDKVVKIYDALIYMQVNSSFEDHILEDLCGMLSLPWIY
SHSDDGCLKLTTFAANLLTLSCRISDSYSPQAQSRCVFLLTLFPRRIFLEWRTAVYNWAL
QSSHEVIRASCVSGFFILLQQQNSCNRVPKILIDKVKDDSDIVKKEFASILGQLVCTLHG
MFYLTSSLTEPFSEHGHVDLFCRNLKATSQHECSSSQLKASVCKPFLFLLKKKIPSPVKL
AFIDNLHHLCKHLDFREDETDVKAVLGTLLNLMEDPDKDVRVAFSGNIKHILESLDSEDG
FIKELFVLRMKEAYTHAQISRNNELKDTLILTTGDIGRAAKGDLVPFALLHLLHCLLSKS
ASVSGAAYTEIRALVAAKSVKLQSFFSQYKKPICQFLVESLHSSQMTALPNTPCQNADVR
KQDVAHQREMALNTLSEIANVFDFPDLNRFLTRTLQVLLPDLAAKASPAASALIRTLGKQ
LNVNRREILINNFKYIFSHLVCSCSKDELERALHYLKNETEIELGSLLRQDFQGLHNELL
LRIGEHYQQVFNGLSILASFASSDDPYQGPRDIISPELMADYLQPKLLGILAFFNMQLLS
SSVGIEDKKMALNSLMSLMKLMGPKHVSSVRVKMMTTLRTGLRFKDDFPELCCRAWDCFV
RCLDHACLGSLLSHVIVALLPLIHIQPKETAAIFHYLIIENRDAVQDFLHEIYFLPDHPE
LKKIKAVLQEYRKETSESTDLQTTLQLSMKAIQHENVDVRIHALTSLKETLYKNQEKLIK
YATDSETVEPIISQLVTVLLKGCQDANSQARLLCGECLGELGAIDPGRLDFSTTETQGKD
FTFVTGVEDSSFAYGLLMELTRAYLAYADNSRAQDSAAYAIQELLSIYDCREMETNGPGH
QLWRRFPEHVREILEPHLNTRYKSSQKSTDWSGVKKPIYLSKLGSNFAEWSASWAGYLIT
KVRHDLASKIFTCCSIMMKHDFKVTIYLLPHILVYVLLGCNQEDQQEVYAEIMAVLKHDD
QHTINTQDIASDLCQLSTQTVFSMLDHLTQWARHKFQALKAEKCPHSKSNRNKVDSMVST
VDYEDYQSVTRFLDLIPQDTLAVASFRSKAYTRAVMHFESFITEKKQNIQEHLGFLQKLY
AAMHEPDGVAGVSAIRKAEPSLKEQILEHESLGLLRDATACYDRAIQLEPDQIIHYHGVV
KSMLGLGQLSTVITQVNGVHANRSEWTDELNTYRVEAAWKLSQWDLVENYLAADGKSTTW
SVRLGQLLLSAKKRDITAFYDSLKLVRAEQIVPLSAASFERGSYQRGYEYIVRLHMLCEL
EHSIKPLFQHSPGDSSQEDSLNWVARLEMTQNSYRAKEPILALRRALLSLNKRPDYNEMV
GECWLQSARVARKAGHHQTAYNALLNAGESRLAELYVERAKWLWSKGDVHQALIVLQKGV
ELCFPENETPPEGKNMLIHGRAMLLVGRFMEETANFESNAIMKKYKDVTACLPEWEDGHF
YLAKYYDKLMPMVTDNKMEKQGDLIRYIVLHFGRSLQYGNQFIYQSMPRMLTLWLDYGTK
AYEWEKAGRSDRVQMRNDLGKINKVITEHTNYLAPYQFLTAFSQLISRICHSHDEVFVVL
MEIIAKVFLAYPQQAMWMMTAVSKSSYPMRVNRCKEILNKAIHMKKSLEKFVGDATRLTD
KLLELCNKPVDGSSSTLSMSTHFKMLKKLVEEATFSEILIPLQSVMIPTLPSILGTHANH
ASHEPFPGHWAYIAGFDDMVEILASLQKPKKISLKGSDGKFYIMMCKPKDDLRKDCRLME
FNSLINKCLRKDAESRRRELHIRTYAVIPLNDECGIIEWVNNTAGLRPILTKLYKEKGVY
MTGKELRQCMLPKSAALSEKLKVFREFLLPRHPPIFHEWFLRTFPDPTSWYSSRSAYCRS
TAVMSMVGYILGLGDRHGENILFDSLTGECVHVDFNCLFNKGETFEVPEIVPFRLTHNMV
NGMGPMGTEGLFRRACEVTMRLMRDQREPLMSVLKTFLHDPLVEWSKPVKGHSKAPLNET
GEVVNEKAKTHVLDIEQRLQGVIKTRNRVTGLPLSIEGHVHYLIQEATDENLLCQMYLGW
TPYM
Sequence of entity 2 (C, D), FASTA
>9L46_2 ATR-interacting protein (chains C, D)
MAGTSAPGSKRRSEPPAPRPGPPPGTGHPPSKRARGFSAAAAPDPDDPFGAHGDFTADDL
EELDTLASQALSQCPAAARDVSSDHKVHRLLDGMSKNPSGKNRETVPIKDNFELEVLQAQ
YKELKEKMKVMEEEVLIKNGEIKILRDSLHQTESVLEEQRRSHFLLEQEKTQALSDKEKE
FSKKLQSLQSELQFKDAEMNELRTKLQTSERANKLAAPSVSHVSPRKNPSVVIKPEACSP
QFGKTSFPTKESFSANMSLPHPCQTESGYKPLVGREDSKPHSLRGDSIKQEEAQKSFVDS
WRQRSNTQGSILINLLLKQPLIPGSSLSLCHLLSSSSESPAGTPLQPPGFGSTLAGMSGL
RTTGSYDGSFSLSALREAQNLAFTGLNLVARNECSRDGDPAEGGRRAFPLCQLPGAVHFL
PLVQFFIGLHCQALQDLAAAKRSGAPGDSPTHSSCVSSGVETNPEDSVCILEGFSVTALS
ILQHLVCHSGAVVSLLLSGVGADSAAGEGNRSLVHRLSDGDMTSALRGVADDQGQHPLLK
MLLHLLAFSSAATGHLQASVLTQCLKVLVKLAENTSCDFLPRFQCVFQVLPKCLSPETPL
PSVLLAVELLSLLADHDQLAPQLCSHSEGCLLLLLYMYITSRPDRVALETQWLQLEQEVV
WLLAKLGVQSPLPPVTGSNCQCNVEVVRALTVMLHRQWLTVRRAGGPPRTDQQRRTVRCL
RDTVLLLHGLSQKDKLFMMHCVEVLHQFDQVMPGVSMLIRGLPDVTDCEEAALDDLCAAE
TDVEDPEVECG

Ligands and cofactors

IDNameFormulaCopies
AGSPhosphothiophosphoric acid-adenylate esterC10 H16 N5 O12 P3 S2

Primary citation

Molecular architecture and inhibition mechanism of human ATR-ATRIP. Wang, G., Wang, P., Zheng, Z. et al. Sci Bull (Beijing) (2025) 70:2137-2146. DOI 10.1016/j.scib.2025.05.009 · PubMed

Other PDB entries of the same protein (UniProt Q13535 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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