eF-site ID 4m5i-A PDB Code 4m5i Chain A click to enlarge Title The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase Source Escherichia coli (strain K12) (HPPK_ECOLI) Sequence A:  MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSF YRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQ QGRVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMK NRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW Description Functional site 1) chain A residue 95 type sequence D description BINDING SITE FOR RESIDUE CA A 201 source : AC1 2) chain A residue 97 type sequence D description BINDING SITE FOR RESIDUE CA A 201 source : AC1 3) chain A residue 95 type sequence D description BINDING SITE FOR RESIDUE CA A 202 source : AC2 4) chain A residue 97 type sequence D description BINDING SITE FOR RESIDUE CA A 202 source : AC2 5) chain A residue 26 type sequence G description BINDING SITE FOR RESIDUE CA A 203 source : AC3 6) chain A residue 28 type sequence I description BINDING SITE FOR RESIDUE CA A 203 source : AC3 7) chain A residue 31 type sequence S description BINDING SITE FOR RESIDUE CA A 203 source : AC3 8) chain A residue 74 type sequence Q description BINDING SITE FOR RESIDUE APC A 204 source : AC4 9) chain A residue 82 type sequence R description BINDING SITE FOR RESIDUE APC A 204 source : AC4 10) chain A residue 84 type sequence R description BINDING SITE FOR RESIDUE APC A 204 source : AC4 11) chain A residue 89 type sequence W description BINDING SITE FOR RESIDUE APC A 204 source : AC4 12) chain A residue 92 type sequence R description BINDING SITE FOR RESIDUE APC A 204 source : AC4 13) chain A residue 95 type sequence D description BINDING SITE FOR RESIDUE APC A 204 source : AC4 14) chain A residue 97 type sequence D description BINDING SITE FOR RESIDUE APC A 204 source : AC4 15) chain A residue 98 type sequence I description BINDING SITE FOR RESIDUE APC A 204 source : AC4 16) chain A residue 110 type sequence R description BINDING SITE FOR RESIDUE APC A 204 source : AC4 17) chain A residue 111 type sequence L description BINDING SITE FOR RESIDUE APC A 204 source : AC4 18) chain A residue 112 type sequence T description BINDING SITE FOR RESIDUE APC A 204 source : AC4 19) chain A residue 115 type sequence H description BINDING SITE FOR RESIDUE APC A 204 source : AC4 20) chain A residue 116 type sequence Y description BINDING SITE FOR RESIDUE APC A 204 source : AC4 21) chain A residue 121 type sequence R description BINDING SITE FOR RESIDUE APC A 204 source : AC4 22) chain A residue 145 type sequence Q description BINDING SITE FOR RESIDUE APC A 204 source : AC4 23) chain A residue 148 type sequence H description BINDING SITE FOR RESIDUE APC A 204 source : AC4 24) chain A residue 42 type sequence T description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 25) chain A residue 43 type sequence P description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 26) chain A residue 44 type sequence P description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 27) chain A residue 45 type sequence L description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 28) chain A residue 53 type sequence Y description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 29) chain A residue 55 type sequence N description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 30) chain A residue 89 type sequence W description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 31) chain A residue 121 type sequence R description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 32) chain A residue 123 type sequence F description BINDING SITE FOR RESIDUE YH6 A 205 source : AC5 33) chain A residue 64 type sequence L description BINDING SITE FOR RESIDUE CL A 206 source : AC6 34) chain A residue 65 type sequence A description BINDING SITE FOR RESIDUE CL A 206 source : AC6 35) chain A residue 68 type sequence E description BINDING SITE FOR RESIDUE CL A 206 source : AC6 36) chain A residue 82 type catalytic sequence R description 151 source MCSA : MCSA1 37) chain A residue 92 type catalytic sequence R description 151 source MCSA : MCSA1 38) chain A residue 95 type catalytic sequence D description 151 source MCSA : MCSA1 39) chain A residue 97 type catalytic sequence D description 151 source MCSA : MCSA1 40) chain A residue 88-99 type prosite sequence RWGPRTLDLDIM description HPPK 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase signature. RwGPRtlDLDIM source prosite : PS00794

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