2026-04-11_00000034|ligand|7HK8

Crystal Structure of N-methylhydantoinase in complex with 1-methylimidazolidine-2,4-dione, C2221 form; X-ray diffraction 2.80Å
Protein #1 1288 residues (100% 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 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #5 NH4

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

[NH4+]
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Reference