2024-06-08_00000090|medium|8RPH

JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP; X-ray diffraction 2.96Å
Protein #1 619 residues (98% resolved)

MMQDNKVKVAELVAEALENLGIQHAFGIIGAGNVHLFEAIARRGYTEIVCVHHEQAACMAVQTYYRTNGRIAAALLTTGAGSTNGVTGVVSAWADSIPCIVIAGNENSKFTFPENPLRMWGVQGYDSCQMVERVSKYQMRVTKMERAVYELEKGVHLALEGRPGPTWIEIPMDIQSGRIDPATLEHYVAPPAPDYLTPAVAAQVDSVLAALAKAERPVLWLGNGIRLAGGERLLKPLLEKLGSPALVSWAGIDMLDSSHPLVFGRAGVYGQRAANFILQNSDYVLAIGTRLAIPQIGYDLNELARLARIDVVDIDGDEAIKHAKRTQENIVCDARVFIEALLARLNAADAPAIASKADWVAKCRAYEEQFPWVGAEHADPEGFINSYRFMERLNGFFKDDQVVVTDMGTALLSGHQVLRFKEGQRFMTSTGLGEMGYGLPAALGVSFANDRGEVMCLNCDGGMMMNLQELQTMVHHNLPIKLFIFNNDGYLMIKHTQKSLFKSDYVGTDRKSGVSCPDFSRLAAAFDIPAYQIRGWDECDATLAKVQAHTGPVICEVFMHPQQLFSPKLGVVSRADGTLVSPPLEDLSPLIPRDVLEQAMIGGMHEKSKTLLEHHHHHH

MMQDNKVKVAELVAEALENLGIQHAFGIIGAGNVHLFEAIARRGYTEIVCVHHEQAACMAVQTYYRTNGRIAAALLTTGAGSTNGVTGVVSAWADSIPCIVIAGNENSKFTFPENPLRMWGVQGYDSCQMVERVSKYQMRVTKMERAVYELEKGVHLALEGRPGPTWIEIPMDIQSGRIDPATLEHYVAPPAPDYLTPAVAAQVDSVLAALAKAERPVLWLGNGIRLAGGERLLKPLLEKLGSPALVSWAGIDMLDSSHPLVFGRAGVYGQRAANFILQNSDYVLAIGTRLAIPQIGYDLNELARLARIDVVDIDGDEAIKHAKRTQENIVCDARVFIEALLARLNAADAPAIASKADWVAKCRAYEEQFPWVGAEHADPEGFINSYRFMERLNGFFKDDQVVVTDMGTALLSGHQVLRFKEGQRFMTSTGLGEMGYGLPAALGVSFANDRGEVMCLNCDGGMMMNLQELQTMVHHNLPIKLFIFNNDGYLMIKHTQKSLFKSDYVGTDRKSGVSCPDFSRLAAAFDIPAYQIRGWDECDATLAKVQAHTGPVICEVFMHPQQLFSPKLGVVSRADGTLVSPPLEDLSPLIPRDVLEQAMIGGMHEKSKTLLEHHHHHH
Non polymer #2 A1H2A

InChI=1S/C16H24N4O10P2S/c1-4-16(23,15(21)22)14-20(8-11-7-18-10(3)19-13(11)17)9(2)12(33-14)5-6-29-32(27,28)30-31(24,25)26/h7,23H,4-6,8H2,1-3H3,(H5-,17,18,19,21,22,24,25,26,27,28)/p+1/t16-/m1/s1

CC[C@@](c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)(C(=O)O)O
Non polymer #3 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
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Reference