2024-09-28_00000012|ligand|8QKW

Crystal structure of Levansucrase from Pseudomonas syringae in complex with a tetravalent iminosugar; X-ray diffraction 1.65Å
Protein #1 431 residues (96% resolved)

MSTSSSALSQLKNSPLAGNINYEPTVWSRADALKVNENDPTTTQPLVSADFPVMSDTVFIWDTMPLRELDGTVVSVNGWSVILTLTADRHPDDPQYLDANGRYDIKRDWEDRHGRARMCYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDKGDIDLYYTCVTPGAAIAKVRGRIVTSDQGVELKDFTQVKKLFEADGTYYQTEAQNSSWNFRDPSPFIDPNDGKLYMVFEGNVAGERGSHTVGAAELGPVPPGHEDVGGARFQVGCIGLAVAKDLSGEEWEILPPLVTAVGVNDQTERPHYIFQDGKYYLFTISHKFTYAEGLTGPDGVYGFVGEHLFGPYRPMNASGLVLGNPPEQPFQTYSHCVMPNGLVTSFIDSVPTDGEDYRIGGTEAPTVRIVLKGDRSFVQEEYDYGYIPAMKDVQLS

MSTSSSALSQLKNSPLAGNINYEPTVWSRADALKVNENDPTTTQPLVSADFPVMSDTVFIWDTMPLRELDGTVVSVNGWSVILTLTADRHPDDPQYLDANGRYDIKRDWEDRHGRARMCYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDKGDIDLYYTCVTPGAAIAKVRGRIVTSDQGVELKDFTQVKKLFEADGTYYQTEAQNSSWNFRDPSPFIDPNDGKLYMVFEGNVAGERGSHTVGAAELGPVPPGHEDVGGARFQVGCIGLAVAKDLSGEEWEILPPLVTAVGVNDQTERPHYIFQDGKYYLFTISHKFTYAEGLTGPDGVYGFVGEHLFGPYRPMNASGLVLGNPPEQPFQTYSHCVMPNGLVTSFIDSVPTDGEDYRIGGTEAPTVRIVLKGDRSFVQEEYDYGYIPAMKDVQLS
Non polymer #2 15P

InChI=1S/C69H140O35/c1-71-4-5-73-8-9-75-12-13-77-16-17-79-20-21-81-24-25-83-28-29-85-32-33-87-36-37-89-40-41-91-44-45-93-48-49-95-52-53-97-56-57-99-60-61-101-64-65-103-68-69-104-67-66-102-63-62-100-59-58-98-55-54-96-51-50-94-47-46-92-43-42-90-39-38-88-35-34-86-31-30-84-27-26-82-23-22-80-19-18-78-15-14-76-11-10-74-7-6-72-3-2-70/h70H,2-69H2,1H3

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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 VXT

InChI=1S/C61H108N16O16/c78-33-49-57(86)53(82)29-70(49)17-9-1-5-13-21-74-26-45(63-67-74)37-90-41-61(42-91-38-46-27-75(68-64-46)22-14-6-2-10-18-71-30-54(83)58(87)50(71)34-79,43-92-39-47-28-76(69-65-47)23-15-7-3-11-19-72-31-55(84)59(88)51(72)35-80)44-93-40-48-25-62-66-77(48)24-16-8-4-12-20-73-32-56(85)60(89)52(73)36-81/h25-28,49-60,78-89H,1-24,29-44H2/t49?,50?,51?,52-,53?,54?,55?,56-,57?,58?,59?,60+,61?/m0/s1

c1c(n(nn1)CCCCCCN2C[C@@H]([C@@H]([C@@H]2CO)O)O)COCC(COCc3cn(nn3)CCCCCCN4CC(C(C4CO)O)O)(COCc5cn(nn5)CCCCCCN6CC(C(C6CO)O)O)COCc7cn(nn7)CCCCCCN8CC(C(C8CO)O)O
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Reference