2024-12-14_00000274|medium|8VC9

Hybrid response regulator LvrB from Leptospira / phosphorylated REC form; X-ray diffraction 2.65Å

Protein #1 382 residues (99% resolved)

Raw Sequence ...

MNKWKFLFLEDSLVDLELIQRQLNRAKIDYYPIHVSDSEGFSQAILDQKPHLILSDFSLPKYDGFSALKLAKKICPTTPFIFVSGTYGEEAAIQTLTMGATDYVLKDRIEKLLPAVQRALHELEDHELRIKAEKERYELEEQLRQSQKLEAMGVMAGTMAHEINNPLIAISEYAAMIAKGEVDSEKAKQLASKIRDESARISTIMKNLLRFSRDDKGSLYPVEVGEILVKLESITQQIFKMNRIDASWKNVEPGHSIQCREGQILQILLNLVNNAVDSLNQKYPEYDTEKRIILENSIVEENHKKYAEFSIQDFGTGIPIDIQKSIFKTFFTTKSADKGTGLGLSVSLGIAKEHGGSLNFESEPGRYTRFYLRVPIFDPSVQ

Canonical Sequence ...

Non polymer #2 ACP

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N

Non polymer #3 BEF

InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3

SMILES: [Be-](F)(F)F

[Be-](F)(F)F

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Biounit #3 homo-dimer

Reference