2026-06-20_00000044|ligand|24UH

Crystal structure of Haspin (GSG2) with an ATP-mimicking competitive inhibitor; X-ray diffraction 1.73Å
Protein #1 342 residues (100% resolved)

ASDAEKVYGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK

ASDAEKVYGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
Non polymer #2 A1MFS

InChI=1S/C13H14N7O2S/c14-1-6-5-20(8-3-17-2-7(15)10(6)8)13-12(22)11(21)9(23-13)4-18-19-16/h2-3,5,9,11-13,16,21-22H,4,15H2/q+1/t9-,11-,12-,13-/m1/s1

c1c(c2c(cn1)n(cc2C#N)[C@H]3[C@@H]([C@@H]([C@H](S3)CN=[N+]=N)O)O)N
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Reference