2024-01-06_00000002|ligand|8A7H

Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis); X-ray diffraction 3.15Å
Protein #1 388 residues (93% resolved)

MGSSHHHHHHSSGLVPRGSHMINAKLLQLMVEHSNDGIVVAEQEGNESILIYVNPAFERLTGYCADDILYQDCRFLQGEDHDQPGRAIIREAIREGRPCCQVLRNYRKDGSLFWNELSITPVHNEADQLTYYIGIQRDVTEHQQTQARLQELQSELVHVSRLSAMGEMASALAHELNQPLAAISNYMKGSRRLLAGSSDPNTPKVESALDRAAEQALRAGQIIRRLRDFVARGESEKRVESLSKLIEEAGALGLAGAREQNVQLRFSLDPGADLVLADRVQIQQVLVNLFRNALEAMAQSQRRELVVTNTPAADDMIEVEVSDTGSGFQDDVIPNLFQTFFTTKDTGMGVGLSISRSIIEAHGGRMWAESNASGGATFRFTLPAADEN

MGSSHHHHHHSSGLVPRGSHMINAKLLQLMVEHSNDGIVVAEQEGNESILIYVNPAFERLTGYCADDILYQDCRFLQGEDHDQPGRAIIREAIREGRPCCQVLRNYRKDGSLFWNELSITPVHNEADQLTYYIGIQRDVTEHQQTQARLQELQSELVHVSRLSAMGEMASALAHELNQPLAAISNYMKGSRRLLAGSSDPNTPKVESALDRAAEQALRAGQIIRRLRDFVARGESEKRVESLSKLIEEAGALGLAGAREQNVQLRFSLDPGADLVLADRVQIQQVLVNLFRNALEAMAQSQRRELVVTNTPAADDMIEVEVSDTGSGFQDDVIPNLFQTFFTTKDTGMGVGLSISRSIIEAHGGRMWAESNASGGATFRFTLPAADEN
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 JGC

InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-14,18,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,13+,14-/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
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Reference