eF-site ID 4rlt-A PDB Code 4rlt Chain A click to enlarge Title Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin Classification LYASE/LYASE INHIBITOR Compound (3R)-hydroxyacyl-ACP dehydratase subunit HadA Source Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (I6WYY7_MYCTU) Sequence A:  VALSADIVGMHYRYPDHYEVEREKIREYAVAVQNDDAWYF EEDGAAELGYKGLLAPLTFICVFGYKAQAAFFKHANIATA EAQIVQVDQVLKFEKPIVAGDKLYCDVYVDSVREAHGTQI IVTKNIVTNEEGDLVQETYTTLAGRAGGEGFSDGA Description Functional site 1) chain A residue 60 type sequence I description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 2) chain A residue 61 type sequence C description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 3) chain A residue 64 type sequence G description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 4) chain A residue 68 type sequence Q description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 5) chain A residue 86 type sequence Q description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 6) chain A residue 89 type sequence Q description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 7) chain A residue 91 type sequence L description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 8) chain A residue 125 type sequence N description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 9) chain A residue 140 type sequence T description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 10) chain A residue 142 type sequence L description BINDING SITE FOR RESIDUE FSE A 201 source : AC1 11) chain A residue 55 type sequence A description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 12) chain A residue 56 type sequence P description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 13) chain A residue 93 type sequence F description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 14) chain A residue 95 type sequence K description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 15) chain A residue 96 type sequence P description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 16) chain A residue 97 type sequence I description BINDING SITE FOR RESIDUE GOL A 202 source : AC2 17) chain A residue 13 type sequence R description BINDING SITE FOR RESIDUE GOL B 201 source : AC3 18) chain A residue 104 type sequence Y description BINDING SITE FOR RESIDUE GOL B 201 source : AC3 19) chain A residue 128 type sequence T description BINDING SITE FOR RESIDUE GOL B 201 source : AC3 20) chain A residue 129 type sequence N description BINDING SITE FOR RESIDUE GOL B 201 source : AC3 21) chain A residue 130 type sequence E description BINDING SITE FOR RESIDUE GOL B 201 source : AC3

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