2024-01-20_00000154|medium|8JBR

Structure of McyA2-CAPCP; X-ray diffraction 2.50Å
Protein #1 1041 residues (98% resolved)

MISQEVRLNLPEEVEDAYPLTALQLGMIFHSEYQGNLSVYHDVFTYHIRADFSFPALHSAIQEIVQRHPVLRTSFALFEYQEPLQLVHRQIDVPLGLDDLTHLSTSEQDTAIDDWIEREKIRTFDWNIPPLFRFHLHRRSQDNFNLTFSFHHSILDGWSVASLLTELLQQYLYLLDKKVLPLSPTPALSFRDFVALEKKTIQSPECQNYWQEKLRDVTLTKLPQWSKSNQVNQDWDWLVPISSQVSQGLKQLGKQVGVPLKSVLLAAHFRVLSLLNNQRDIVTGLVSNGRLEAADGEKILGLFLNTLPLRLELSGGPWSDLVKQAFDVERECLSWRRYPLAELQKSGQPLFDTAFNFIHFHVYQGIIGVKDLEVLGGKFFNQTNFTLLANFSLHPLSSQIELTLKYDGNYLGEKQMELIGGYYEKTLIAMATEGLERYETCCLLSEQEQHQLLKEWNDTEVHYPDGCIHQLFEEQVKRSPDAIAIITENEQLTYRQLNEKANQLGRYLARKGVKSESLVGICLERTPEMVIGLLAILKAGGAYVPLDPAYPTERLNVILEDAQVSLLLTQAKLVEKLGNYPGNLVILEAEQKNIALESPENLSLPVSSSNTAYVIYTSGSTGKPKGVVIEHHSTTTLLNWSKEVFSSEELAGVLGSTSICFDLSVFELFLPLAVGGKIILAQNVLDLPSLSAAKEVTLINTVPTAIAQLLEIEAIPETVRTVNLAGEALSNQLVQKLYQQENIKNVYNLYGPSEDTTYSTFSLVPKGHHGQPSIGRPIANTQVYILDSFKQPVPLGTIGDLYIGGEGLARCYLNQPELTAEKFISNPFSNEPNAKLYKTGDLARYLPDGNIDFLGRGDNQVKLRGFRIELGEIEATLGTYPPVKQAVVKVWEDSYRNKRLVAYLVAENDPINTEDLRRFLGQKLPEYMIPALFVSLEALPLTPNGKIDRSRLPIPEIPSTSEQDFVPPHTQKEKILASIWQDILSIKQVSRYDRFFEVGGDSIISIQVVARARQAGLKITPKQIFEYPTLAELATVADYST

MISQEVRLNLPEEVEDAYPLTALQLGMIFHSEYQGNLSVYHDVFTYHIRADFSFPALHSAIQEIVQRHPVLRTSFALFEYQEPLQLVHRQIDVPLGLDDLTHLSTSEQDTAIDDWIEREKIRTFDWNIPPLFRFHLHRRSQDNFNLTFSFHHSILDGWSVASLLTELLQQYLYLLDKKVLPLSPTPALSFRDFVALEKKTIQSPECQNYWQEKLRDVTLTKLPQWSKSNQVNQDWDWLVPISSQVSQGLKQLGKQVGVPLKSVLLAAHFRVLSLLNNQRDIVTGLVSNGRLEAADGEKILGLFLNTLPLRLELSGGPWSDLVKQAFDVERECLSWRRYPLAELQKSGQPLFDTAFNFIHFHVYQGIIGVKDLEVLGGKFFNQTNFTLLANFSLHPLSSQIELTLKYDGNYLGEKQMELIGGYYEKTLIAMATEGLERYETCCLLSEQEQHQLLKEWNDTEVHYPDGCIHQLFEEQVKRSPDAIAIITENEQLTYRQLNEKANQLGRYLARKGVKSESLVGICLERTPEMVIGLLAILKAGGAYVPLDPAYPTERLNVILEDAQVSLLLTQAKLVEKLGNYPGNLVILEAEQKNIALESPENLSLPVSSSNTAYVIYTSGSTGKPKGVVIEHHSTTTLLNWSKEVFSSEELAGVLGSTSICFDLSVFELFLPLAVGGKIILAQNVLDLPSLSAAKEVTLINTVPTAIAQLLEIEAIPETVRTVNLAGEALSNQLVQKLYQQENIKNVYNLYGPSEDTTYSTFSLVPKGHHGQPSIGRPIANTQVYILDSFKQPVPLGTIGDLYIGGEGLARCYLNQPELTAEKFISNPFSNEPNAKLYKTGDLARYLPDGNIDFLGRGDNQVKLRGFRIELGEIEATLGTYPPVKQAVVKVWEDSYRNKRLVAYLVAENDPINTEDLRRFLGQKLPEYMIPALFVSLEALPLTPNGKIDRSRLPIPEIPSTSEQDFVPPHTQKEKILASIWQDILSIKQVSRYDRFFEVGGDSIISIQVVARARQAGLKITPKQIFEYPTLAELATVADYST
Non polymer #2 ATP

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #3 PNS

InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1

CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
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Reference