eF-site ID 3ske-AB PDB Code 3ske Chain A, B click to enlarge Title I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles Classification transferase/transferase INHIBITOR Compound HCV NS5B RNA_DEPENDENT RNA POLYMERASE Source Hepatitis C virus genotype 1b (strain HC-J4) (HCV) (POLG_HCVJ4) Sequence A:  SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYAT TSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKA KLLSIEEACKLTPPHSAKSKFGYGAKDVRNLSSRAVNHIR SVWEDLLEDTETPIDTTIMAKSEVFCVQRKPARLIVFPDL GVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQRVEFLV NTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDL APEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVL TTSCGNTLTCYLKATAACRAAKLQDCTMLVNGDDLVVICE SAGTQEDAAALRAFTEAMTRYSAPPGDPPQPEYDLELITS CSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPI NSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLGKALDC QIYGACYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRV ASCLRKLGVPPLRTWRHRARSVRAKLLSQGGRAAICGRYL FNWAVRTKLKLTPIPAASQLDLSGWFVAGYSGGDIYHSLS RAR B:  SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYAT TSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKA KLLSIEEACKLTPPHSAKSKFGYGAKDVRNLSSRAVNHIR SVWEDLLEDTETPIDTTIMAKSEVFCVQRKPARLIVFPDL GVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQRVEFLV NTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDL APEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVL TTSCGNTLTCYLKATAACRAAKLQDCTMLVNGDDLVVICE SAGTQEDAAALRAFTEAMTRYSAPPGDPPQPEYDLELITS CSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPI NSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLGKALDC QIYGACYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRV ASCLRKLGVPPLRTWRHRARSVRAKLLSQGGRAAICGRYL FNWAVRTKLKLTPIPAASQLDLSGWFVAGYSGGDIYHS Description (1)  HCV NS5B RNA_DEPENDENT RNA POLYMERASE E.C.2.7.7.48 Functional site 1) chain A residue 265 type sequence P description BINDING SITE FOR RESIDUE PO4 A 577 source : AC1 2) chain A residue 505 type sequence R description BINDING SITE FOR RESIDUE PO4 A 577 source : AC1 3) chain A residue 530 type sequence V description BINDING SITE FOR RESIDUE PO4 A 577 source : AC1 4) chain A residue 531 type sequence R description BINDING SITE FOR RESIDUE PO4 A 577 source : AC1 5) chain A residue 532 type sequence T description BINDING SITE FOR RESIDUE PO4 A 577 source : AC1 6) chain A residue 197 type sequence P description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 7) chain A residue 316 type sequence N description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 8) chain A residue 366 type sequence C description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 9) chain A residue 368 type sequence S description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 10) chain A residue 384 type sequence L description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 11) chain A residue 407 type sequence S description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 12) chain A residue 410 type sequence G description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 13) chain A residue 411 type sequence N description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 14) chain A residue 414 type sequence M description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 15) chain A residue 415 type sequence Y description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 16) chain A residue 446 type sequence Q description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 17) chain A residue 447 type sequence I description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 18) chain A residue 448 type sequence Y description BINDING SITE FOR RESIDUE 054 A 578 source : AC2 19) chain B residue 197 type sequence P description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 20) chain B residue 316 type sequence N description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 21) chain B residue 366 type sequence C description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 22) chain B residue 368 type sequence S description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 23) chain B residue 384 type sequence L description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 24) chain B residue 407 type sequence S description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 25) chain B residue 410 type sequence G description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 26) chain B residue 411 type sequence N description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 27) chain B residue 414 type sequence M description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 28) chain B residue 415 type sequence Y description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 29) chain B residue 446 type sequence Q description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 30) chain B residue 447 type sequence I description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 31) chain B residue 448 type sequence Y description BINDING SITE FOR RESIDUE 054 B 577 source : AC3 32) chain A residue 29 type MOD_RES sequence S description Phosphoserine; by host => ECO:0000250|UniProtKB:P26662 source Swiss-Prot : SWS_FT_FI2 33) chain A residue 42 type MOD_RES sequence S description Phosphoserine; by host => ECO:0000250|UniProtKB:P26662 source Swiss-Prot : SWS_FT_FI2 34) chain B residue 29 type MOD_RES sequence S description Phosphoserine; by host => ECO:0000250|UniProtKB:P26662 source Swiss-Prot : SWS_FT_FI2 35) chain B residue 42 type MOD_RES sequence S description Phosphoserine; by host => ECO:0000250|UniProtKB:P26662 source Swiss-Prot : SWS_FT_FI2 36) chain A residue 220 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1 37) chain A residue 318 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1 38) chain A residue 319 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1 39) chain B residue 220 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1 40) chain B residue 318 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1 41) chain B residue 319 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P26663 source Swiss-Prot : SWS_FT_FI1

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