eF-site ID 1oo6-AB PDB Code 1oo6 Chain A, B click to enlarge Title Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862 Classification OXIDOREDUCTASE Compound Oxygen-insensitive NAD(P)H nitroreductase Source Escherichia coli (strain K12) (NFNB_ECOLI) Sequence A:  MDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSS TNSQPWHFIVASTEEGKARVAKSAAGNYVFNERKMLDASH VVVFCAKTAMDDVWLKLVVDQEDADGRFATPEAKAANDKG RKFFADMHRKDLHDDAEWMAKQVYLNVGNFLLGVAALGLD AVPIEGFDAAILDAEFGLKEKGYTSLVVVPVGHHSVEDFN ATLPKSRLPQNITLTEV B:  MDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSS TNSQPWHFIVASTEEGKARVAKSAAGNYVFNERKMLDASH VVVFCAKTAMDDVWLKLVVDQEDADGRFATPEAKAANDKG RKFFADMHRKDLHDDAEWMAKQVYLNVGNFLLGVAALGLD AVPIEGFDAAILDAEFGLKEKGYTSLVVVPVGHHSVEDFN ATLPKSRLPQNITLTEV Description Functional site 1) chain A residue 10 type sequence R description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 2) chain A residue 11 type sequence H description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 3) chain A residue 12 type sequence S description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 4) chain A residue 14 type sequence K description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 5) chain A residue 71 type sequence N description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 6) chain A residue 163 type sequence P description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 7) chain A residue 164 type sequence I description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 8) chain A residue 165 type sequence E description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 9) chain A residue 166 type sequence G description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 10) chain A residue 205 type sequence K description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 11) chain A residue 207 type sequence R description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 12) chain B residue 38 type sequence P description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 13) chain B residue 39 type sequence S description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 14) chain B residue 40 type sequence S description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 15) chain B residue 41 type sequence T description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 16) chain B residue 42 type sequence N description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 17) chain B residue 142 type sequence Q description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 18) chain B residue 145 type sequence L description BINDING SITE FOR RESIDUE FMN A 218 source : AC1 19) chain A residue 41 type sequence T description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 20) chain A residue 116 type sequence A description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 21) chain A residue 119 type sequence K description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 22) chain A residue 120 type sequence G description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 23) chain A residue 124 type sequence F description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 24) chain B residue 14 type sequence K description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 25) chain B residue 74 type sequence K description BINDING SITE FOR RESIDUE SN2 A 219 source : AC2 26) chain A residue 38 type sequence P description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 27) chain A residue 39 type sequence S description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 28) chain A residue 40 type sequence S description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 29) chain A residue 42 type sequence N description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 30) chain A residue 142 type sequence Q description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 31) chain A residue 145 type sequence L description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 32) chain B residue 10 type sequence R description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 33) chain B residue 11 type sequence H description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 34) chain B residue 12 type sequence S description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 35) chain B residue 14 type sequence K description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 36) chain B residue 74 type sequence K description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 37) chain B residue 163 type sequence P description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 38) chain B residue 164 type sequence I description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 39) chain B residue 165 type sequence E description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 40) chain B residue 166 type sequence G description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 41) chain B residue 205 type sequence K description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 42) chain B residue 207 type sequence R description BINDING SITE FOR RESIDUE FMN B 220 source : AC3 43) chain A residue 14 type sequence K description BINDING SITE FOR RESIDUE SN2 A 221 source : AC4 44) chain A residue 70 type sequence F description BINDING SITE FOR RESIDUE SN2 A 221 source : AC4 45) chain A residue 71 type sequence N description BINDING SITE FOR RESIDUE SN2 A 221 source : AC4 46) chain A residue 74 type sequence K description BINDING SITE FOR RESIDUE SN2 A 221 source : AC4 47) chain A residue 199 type sequence F description BINDING SITE FOR RESIDUE SN2 A 221 source : AC4 48) chain A residue 14 type catalytic sequence K description 211 source MCSA : MCSA1 49) chain A residue 74 type catalytic sequence K description 211 source MCSA : MCSA1 50) chain A residue 165 type catalytic sequence E description 211 source MCSA : MCSA1 51) chain B residue 14 type catalytic sequence K description 211 source MCSA : MCSA2 52) chain B residue 74 type catalytic sequence K description 211 source MCSA : MCSA2 53) chain B residue 165 type catalytic sequence E description 211 source MCSA : MCSA2

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