2026-05-02_00000093|ligand|9O7P

Crystal structure of human adenosine kinase (ADK) in complex with inhibitor BKI-1817; X-ray diffraction 2.51Å
Protein #1 465 residues (73% resolved)

MAHHHHHHMKSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGTLEAQTQGPGAAAMTSVRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH

MAHHHHHHMKSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGTLEAQTQGPGAAAMTSVRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH
Non polymer #2 A1B96

InChI=1S/C21H23N7O/c1-27-8-6-13(7-9-27)11-28-21-18(20(22)23-12-24-21)19(26-28)15-2-4-16-14(10-15)3-5-17(29)25-16/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29)(H2,22,23,24)

CN1CCC(CC1)Cn2c3c(c(n2)c4ccc5c(c4)C=CC(=O)N5)c(ncn3)N
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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