2024-10-12_00000037|medium|8K1X

Biochemical and structural characterization of a multifunctional cytochrome P450 SpcN in staurosporine biosynthesis; X-ray diffraction 2.27Å
Protein #1 440 residues (89% resolved)

HHHHHHSSGLVPRGSHMNVTTKTGLAEAPEAHMPTDPGPFDCMPELLAAARVAPVVRIPYLGRHAWVVCDPELVRTALTHPLLAKDVTLVPDWMRKPGLMLGSQPDPEFARTMIMSDGAHHARIRRLHASILSPRNTERWGERVEAKVGGFLDELEASRSTETAEVNVVTAYTHRIPLAFISEMLGLPLEAERRLRSITDVILYSDDYPARGAAVGALYGAVESWVRDPAPLREGVITDLLAPADSPEDQVTEGEAIVWTFAMIITGYETTGSLISASLFEALRRPPEERPRTDEEIKGWVEEALRVHPPFPHPTWRFATEDIDLGGYLIPEGAPVQVNLAAANRGPEEGPDCFTPERQGRGHLSFGLGMHYCIGASLARLEAQIALRGFLRRFPEARLSPATQAATEAGGGVEWESEWMIRRMIVLPAEVGLEHHHHHH

HHHHHHSSGLVPRGSHMNVTTKTGLAEAPEAHMPTDPGPFDCMPELLAAARVAPVVRIPYLGRHAWVVCDPELVRTALTHPLLAKDVTLVPDWMRKPGLMLGSQPDPEFARTMIMSDGAHHARIRRLHASILSPRNTERWGERVEAKVGGFLDELEASRSTETAEVNVVTAYTHRIPLAFISEMLGLPLEAERRLRSITDVILYSDDYPARGAAVGALYGAVESWVRDPAPLREGVITDLLAPADSPEDQVTEGEAIVWTFAMIITGYETTGSLISASLFEALRRPPEERPRTDEEIKGWVEEALRVHPPFPHPTWRFATEDIDLGGYLIPEGAPVQVNLAAANRGPEEGPDCFTPERQGRGHLSFGLGMHYCIGASLARLEAQIALRGFLRRFPEARLSPATQAATEAGGGVEWESEWMIRRMIVLPAEVGLEHHHHHH
Non polymer #2 HEM

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
Non polymer #3 VI4

InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)N)O
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Reference