9L40: Kinase of ATR bound VE-822 state

kinase of ATR bound VE-822 state. Determined by electron microscopy at 2.87 Å resolution. Released 21 May 2025.

Method
Electron microscopy
Resolution
2.87 Å
Organism
Homo sapiens
Chains
2
Atoms
18,977
Mol. weight
605.37 kDa
Ligands
A1EIE
Released
21 May 2025

Explore 9L40 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9L40 contains 156 α-helices and 31 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: 78 helices, 15 β-strands

ElementResiduesLengthSheet
α-helix1282-129211
α-helix1297-131317
α-helix1315-13239
β-strand132511
α-helix1330-134213
α-helix1348-136114
α-helix1390-140718
α-helix1411-142717
α-helix1438-14458
α-helix1448-14547
α-helix1482-14843
α-helix1487-150115
α-helix1505-151410
α-helix1517-15204
α-helix1523-153715
α-helix1542-155716
α-helix1572-160029
α-helix1621-163515
α-helix1638-164811
α-helix1651-166414
α-helix1669-16724
α-helix1673-168210
α-helix1686-169510
α-helix1699-17013
α-helix1702-171211
α-helix1715-172814
α-helix1733-174513
α-helix1749-176214
α-helix1771-178111
α-helix1784-179310
α-helix1800-181314
α-helix1816-183722
α-helix1843-18464
α-helix1848-186821
α-helix1883-18897
α-helix1894-191017
α-helix1916-193419
α-helix1937-194610
α-helix1952-196514
α-helix1969-198315
α-helix1994-201219
α-helix2018-203114
α-helix2036-205318
α-helix2058-207821
α-helix2083-210725
α-helix2111-213222
α-helix2135-21395
α-helix2142-21476
α-helix2148-21503
α-helix2154-217017
α-helix2172-218413
α-helix2189-220416
α-helix2207-222721
α-helix2228-22303
β-strand2236-223832
α-helix2239-22424
α-helix2246-22516
α-helix2256-22583
β-strand225913
α-helix22601
α-helix2263-22664
α-helix22701
β-strand227111
α-helix22721
β-strand229213
β-strand2293-229642
β-strand2299-230242
β-strand2310-231672
β-strand2321-232662
β-strand232812
α-helix2333-235119
α-helix2353-23586
β-strand2367-237152
β-strand2374-237852
β-strand2383-238534
α-helix2386-239712
α-helix2403-24097
α-helix2417-24237
α-helix2424-24285
α-helix2429-24313
α-helix2436-24438
α-helix2447-247125
β-strand2481-248444
β-strand2490-249234
α-helix2502-25043
α-helix2517-25237
α-helix2531-254515
α-helix2547-255812
α-helix2567-25693
α-helix2588-260013
α-helix2612-26154
α-helix2616-262712
α-helix2630-26334
Chain B: 78 helices, 16 β-strands
ElementResiduesLengthSheet
α-helix1282-129211
α-helix1297-131317
α-helix1315-13239
β-strand132515
α-helix1330-134213
α-helix1348-136114
α-helix1390-140617
α-helix1411-142717
α-helix1442-14454
α-helix1448-14525
α-helix1455-14573
β-strand147916
β-strand148416
α-helix1487-150115
α-helix1505-151814
α-helix1522-153817
α-helix1542-155716
α-helix1567-160034
α-helix1621-163515
α-helix1638-164710
α-helix1651-166414
α-helix1673-168311
α-helix1686-169510
α-helix1699-17002
α-helix1702-171110
α-helix1716-172813
α-helix1733-174614
α-helix1749-176214
α-helix1765-178117
α-helix1784-17929
α-helix1800-181213
α-helix1816-183722
α-helix1843-18464
α-helix1848-186821
α-helix1883-18897
α-helix1894-191017
α-helix1916-193419
α-helix1937-194711
α-helix1954-196613
α-helix1969-198315
α-helix1993-201220
α-helix2018-203114
α-helix2036-205419
α-helix2058-20603
α-helix2061-207818
α-helix2083-210725
α-helix2113-213220
α-helix2135-21395
α-helix2142-21476
α-helix2148-21503
α-helix2154-217017
α-helix2172-218312
α-helix2188-220417
α-helix2207-222721
α-helix2228-22314
β-strand2236-223837
α-helix2239-22424
α-helix2244-22518
α-helix2255-22573
β-strand225918
α-helix2263-22664
β-strand227115
α-helix2279-22824
β-strand229218
β-strand2293-229647
β-strand2299-230247
β-strand2310-231677
β-strand2321-232887
α-helix2333-235119
α-helix2353-23586
β-strand2367-237157
β-strand2374-237857
α-helix2379-23802
β-strand2383-238539
α-helix2386-239712
α-helix2403-24097
α-helix2410-24123
α-helix2417-24237
α-helix2424-24285
α-helix2429-24313
α-helix2436-24438
α-helix2447-247125
α-helix2478-24803
β-strand2481-248449
β-strand2490-249239
α-helix2501-25044
α-helix2517-25237
α-helix2531-254515
α-helix2547-255812
α-helix2588-260013
α-helix2613-26153
α-helix2618-262710
α-helix2630-26334
α-helix2638-26403

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine/threonine-protein kinase ATRA, Bprotein2644Homo sapiensQ13535 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>9L40_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

Ligands and cofactors

IDNameFormulaCopies
A1EIEVE-822C24 H25 N5 O3 S4

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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