eF-site ID 1qhi-AB PDB Code 1qhi Chain A, B click to enlarge Title HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE Classification TRANSFERASE Compound PROTEIN (THYMIDINE KINASE) Source Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus 1) (KITH_HSV11) Sequence A:  MPTLLRVYIDGPHGMGKTTTTQLLVDIVYVPEPMTYWRVL GASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMP YAVTDAVLAPHIGGEAGPPALTLIFDRHPIAALLCYPAAR YLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDR LAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWR EDWGQLSGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWA LDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTH VTTPGSIPTICDLARTFAREMGEA B:  MPTLLRVYIDGPHGMGKTTTTQLLVALGDIVYVPEPMTYW RVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITM GMPYAVTDAVLAPHIGGEAGPPALTLIFDRHPIAALLCYP AARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRH IDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGG SWREDWGQLSAGPRPHIGDTLFTLFRAPELLAPNGDLYNV FAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGM VQTHVTTPGSIPTICDLARTFAREMGEA Description Functional site 1) chain A residue 58 type sequence H description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 2) chain A residue 59 type sequence G description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 3) chain A residue 60 type sequence M description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 4) chain A residue 61 type sequence G description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 5) chain A residue 62 type sequence K description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 6) chain A residue 63 type sequence T description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 7) chain A residue 222 type sequence R description BINDING SITE FOR RESIDUE SO4 A 3 source : AC1 8) chain B residue 58 type sequence H description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 9) chain B residue 59 type sequence G description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 10) chain B residue 60 type sequence M description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 11) chain B residue 61 type sequence G description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 12) chain B residue 62 type sequence K description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 13) chain B residue 63 type sequence T description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 14) chain B residue 222 type sequence R description BINDING SITE FOR RESIDUE SO4 B 4 source : AC2 15) chain A residue 58 type sequence H description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 16) chain A residue 83 type sequence E description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 17) chain A residue 100 type sequence I description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 18) chain A residue 101 type sequence Y description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 19) chain A residue 125 type sequence Q description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 20) chain A residue 128 type sequence M description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 21) chain A residue 132 type sequence Y description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 22) chain A residue 163 type sequence R description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 23) chain A residue 168 type sequence A description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 24) chain A residue 172 type sequence Y description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 25) chain A residue 176 type sequence R description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 26) chain A residue 222 type sequence R description BINDING SITE FOR RESIDUE BPG A 1 source : AC3 27) chain B residue 83 type sequence E description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 28) chain B residue 88 type sequence W description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 29) chain B residue 100 type sequence I description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 30) chain B residue 101 type sequence Y description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 31) chain B residue 121 type sequence M description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 32) chain B residue 125 type sequence Q description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 33) chain B residue 128 type sequence M description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 34) chain B residue 132 type sequence Y description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 35) chain B residue 163 type sequence R description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 36) chain B residue 168 type sequence A description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 37) chain B residue 172 type sequence Y description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 38) chain B residue 176 type sequence R description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 39) chain B residue 222 type sequence R description BINDING SITE FOR RESIDUE BPG B 2 source : AC4 40) chain A residue 62 type catalytic sequence K description 588 source MCSA : MCSA1 41) chain A residue 83 type catalytic sequence E description 588 source MCSA : MCSA1 42) chain A residue 162 type catalytic sequence D description 588 source MCSA : MCSA1 43) chain A residue 163 type catalytic sequence R description 588 source MCSA : MCSA1 44) chain A residue 220 type catalytic sequence R description 588 source MCSA : MCSA1 45) chain A residue 222 type catalytic sequence R description 588 source MCSA : MCSA1 46) chain A residue 225 type catalytic sequence E description 588 source MCSA : MCSA1 47) chain B residue 62 type catalytic sequence K description 588 source MCSA : MCSA2 48) chain B residue 83 type catalytic sequence E description 588 source MCSA : MCSA2 49) chain B residue 162 type catalytic sequence D description 588 source MCSA : MCSA2 50) chain B residue 163 type catalytic sequence R description 588 source MCSA : MCSA2 51) chain B residue 220 type catalytic sequence R description 588 source MCSA : MCSA2 52) chain B residue 222 type catalytic sequence R description 588 source MCSA : MCSA2 53) chain B residue 225 type catalytic sequence E description 588 source MCSA : MCSA2 54) chain A residue 83 type ACT_SITE sequence E description Proton acceptor => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI1 55) chain B residue 83 type ACT_SITE sequence E description Proton acceptor => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI1 56) chain A residue 56 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 57) chain B residue 222 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 58) chain A residue 101 type BINDING sequence Y description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 59) chain A residue 125 type BINDING sequence Q description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 60) chain A residue 216 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 61) chain A residue 222 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 62) chain B residue 56 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 63) chain B residue 101 type BINDING sequence Y description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 64) chain B residue 125 type BINDING sequence Q description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2 65) chain B residue 216 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_04029 source Swiss-Prot : SWS_FT_FI2

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