HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE

Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.

SAFDQAARSRGHNNRRTALRPRRQQEATEVRPEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRV
LGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALL
CYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQ
CGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRSMHVFILDYD
QSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN

Herpes simplex virus (type 1 / strain 17)

PUBLISHED IN BENNETT, M.S. ET AL. FEBS LETT., VOL.443 (1999) 121-125, pH 7.5

NCS RESTRAINTS NOT USED IN FINAL CYCLES.

NCS RESTRAINT NOT USED IN FINAL REFINEMENT STAGES.

TRANSFERASE, TRANSFERASE (PHOSPHOTRANSFERASE) THYMIDINE, TRANSFERASE (PHOSPHOTRANSFERASE) THYMIDINE KINASE; VIRIDAE; DS-DNA ENVELOPED VIRUSES; HERPESVIRIDAE; ALPHAHERPESVIRINAE NOVEL INHIBITOR