2026-04-11_00000032|ligand|7HK6

Crystal Structure of N-methylhydantoinase in complex with 1-methylimidazolidine-2,4-dione, iodide soak; X-ray diffraction 2.62Å
Protein #1 1288 residues (99% resolved)

MKRIGVDVGGTFTDLYFSDDDQRIAVVEKVPSTPHDPSEAVINGIKKLCEKAGVSLSEIDQLVHGTTVATNTALTHTGAEVGMITTEGFRDILHIARHKKPHNFSLQQDLPWQTKPLIKRRYRLTVKERITAPHGEILVPLDEDEVRQRVRELKTAGVQAIAVCLLHSYLNPEHEQRIGEIVNEEFPEAYLSLSSEIVPLYREYERFSTTALNAYVGPRVSRYLHRLQEQAENLGYQREILLMQSSGGMVPIGEAAKRPVTLMMSGPVGGLIGGMWAAKQSGFENVVTLDIGGTSADIGVAYQGELRMRHLLDTKIGDHQAMVPMVDIDTIGAGGGSIAYVDAGGVFRVGPQSAGAVPGPVCYGRGGTEPTSTDAQVLLGRMRPDRILAGSGLDMDLDGARAAMQGLADKLGMSIEEAALGALQIQKFGMTQAIEQNSVRRGYDPRDFTLVAAGGAGALFACEIAAELEVPHVLVPAHPGIIAGIGLLATDEQYEFVATNRFSFASADAAVIQASYEQLEREANAQLDAEEVPAERRKIVWLADARYEGQGYEIRFVVPEGPVTTAWLDQAEAAFHDAHFEEYGHRFKGGTVEVINIRVEARAVMDELPTPEATQSGSLENALVETRPVTFQQAGKPVTLDTGFYDRAKMGIGTTFAGPVVIEQYDSTTVIPPGFTGTVDDAGNLVIACPAVTQTVEKLATPILMRVIGGALNSAAKEMASVLFRMSYSSIIRESEDLGAGLFDKDGNVLAESDSTPMFMGSMPKIVKGVISVLGDDIHDGDVILHNDPYLGATHSPDVAIIEPIFHDGELVGFAGASGQLIDNGGAFSGLMVDIQDVQSEGTIFRAVKVYEKGVRQESLIRHILNNTRTPTSNEGDFQAMIAACDLAKSRYLALVERYGRDSVRDAGQFWIDYSERMLRQEIAKIPDGVYETETGYLDDDGRNYGKKLPIVVKVIVEGDEITYDLTGSSEQVPTAYNCAFEGTTVSAFTFITRMMFLDEVAFPVFVPQNEGMLKPLKVIAPKGTIFNPNYPAATFSRFSQVQRAVDLALRALAPVMPERVTAGNSAHIHFMSYSGWDEKQGEYWVYLEVNEGSYGARQDSDGPDSVDNLIANTRNNPIEELEWRFPMRTDRYELREDPAAAGEYRGGIGIVRENTFLEDTAVTCEGERHDSDVPWGAYGGHDGLNASLIKNPGRDGEESWPSKVTGRQLQAGDSLQITVPSGGGFGDPLKRNPLQVLEDVLDGFTTTEAASRDYGVILKTVNGQLTVDLAATAVKRENAVSELSHTN

MKRIGVDVGGTFTDLYFSDDDQRIAVVEKVPSTPHDPSEAVINGIKKLCEKAGVSLSEIDQLVHGTTVATNTALTHTGAEVGMITTEGFRDILHIARHKKPHNFSLQQDLPWQTKPLIKRRYRLTVKERITAPHGEILVPLDEDEVRQRVRELKTAGVQAIAVCLLHSYLNPEHEQRIGEIVNEEFPEAYLSLSSEIVPLYREYERFSTTALNAYVGPRVSRYLHRLQEQAENLGYQREILLMQSSGGMVPIGEAAKRPVTLMMSGPVGGLIGGMWAAKQSGFENVVTLDIGGTSADIGVAYQGELRMRHLLDTKIGDHQAMVPMVDIDTIGAGGGSIAYVDAGGVFRVGPQSAGAVPGPVCYGRGGTEPTSTDAQVLLGRMRPDRILAGSGLDMDLDGARAAMQGLADKLGMSIEEAALGALQIQKFGMTQAIEQNSVRRGYDPRDFTLVAAGGAGALFACEIAAELEVPHVLVPAHPGIIAGIGLLATDEQYEFVATNRFSFASADAAVIQASYEQLEREANAQLDAEEVPAERRKIVWLADARYEGQGYEIRFVVPEGPVTTAWLDQAEAAFHDAHFEEYGHRFKGGTVEVINIRVEARAVMDELPTPEATQSGSLENALVETRPVTFQQAGKPVTLDTGFYDRAKMGIGTTFAGPVVIEQYDSTTVIPPGFTGTVDDAGNLVIACPAVTQTVEKLATPILMRVIGGALNSAAKEMASVLFRMSYSSIIRESEDLGAGLFDKDGNVLAESDSTPMFMGSMPKIVKGVISVLGDDIHDGDVILHNDPYLGATHSPDVAIIEPIFHDGELVGFAGASGQLIDNGGAFSGLMVDIQDVQSEGTIFRAVKVYEKGVRQESLIRHILNNTRTPTSNEGDFQAMIAACDLAKSRYLALVERYGRDSVRDAGQFWIDYSERMLRQEIAKIPDGVYETETGYLDDDGRNYGKKLPIVVKVIVEGDEITYDLTGSSEQVPTAYNCAFEGTTVSAFTFITRMMFLDEVAFPVFVPQNEGMLKPLKVIAPKGTIFNPNYPAATFSRFSQVQRAVDLALRALAPVMPERVTAGNSAHIHFMSYSGWDEKQGEYWVYLEVNEGSYGARQDSDGPDSVDNLIANTRNNPIEELEWRFPMRTDRYELREDPAAAGEYRGGIGIVRENTFLEDTAVTCEGERHDSDVPWGAYGGHDGLNASLIKNPGRDGEESWPSKVTGRQLQAGDSLQITVPSGGGFGDPLKRNPLQVLEDVLDGFTTTEAASRDYGVILKTVNGQLTVDLAATAVKRENAVSELSHTN
Non polymer #2 A1BC1

InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)

CN1CC(=O)NC1=O
Non polymer #3 BTB

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

C(CO)N(CCO)C(CO)(CO)CO
Non polymer #4 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #5 IOD

InChI=1S/HI/h1H/p-1

[I-]
Non polymer #6 NH4

InChI=1S/H3N/h1H3/p+1

[NH4+]
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Reference