2026-03-14_00000144
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hard
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9E72
HvrF methyltransferase with SAH and pantaphos;
X-ray diffraction 1.81Å
Protein #1
259 residues (99% resolved)
Raw Sequence ...
GSH(MSE)(MSE)KSEKFDGLADNYDKYRPRYPAILFKEIHDW(MSE)QPSAKNIYDIGAGTGIAIEG(MSE)TRVTGKHYDFTAIDISED(MSE)IKKGREKLPGTTWVKGKAEDILSDKSRIDVI(MSE)AAQSFQW(MSE)DRAKTLEVSIKSLNKGGVFAVLQNNRDYRNNE(MSE)LNKYEGLLEKFSPGYSRHYRDYDYENEITNVFKLPIANFKKVVTGWT(MSE)E(MSE)ISEDFFGFISSSTQVQRAIENDRNGFWKEIEILIDEHSVGGKISIDYISELFIAKKRDDS
Canonical Sequence ...
GSHMMKSEKFDGLADNYDKYRPRYPAILFKEIHDWMQPSAKNIYDIGAGTGIAIEGMTRVTGKHYDFTAIDISEDMIKKGREKLPGTTWVKGKAEDILSDKSRIDVIMAAQSFQWMDRAKTLEVSIKSLNKGGVFAVLQNNRDYRNNEMLNKYEGLLEKFSPGYSRHYRDYDYENEITNVFKLPIANFKKVVTGWTMEMISEDFFGFISSSTQVQRAIENDRNGFWKEIEILIDEHSVGGKISIDYISELFIAKKRDDS
Non polymer #2
A1BHZ
InChI=1S/C5H7O8P/c6-3(7)1-2(4(8)9)5(10)14(11,12)13/h1,5,10H,(H,6,7)(H,8,9)(H2,11,12,13)/b2-1+/t5-/m1/s1
InChI=1S/C5H7O8P/c6-3(7)1-2(4(8)9)5(10)14(11,12)13/h1,5,10H,(H,6,7)(H,8,9)(H2,11,12,13)/b2-1+/t5-/m1/s1
SMILES: C(=C(/[C@H](O)P(=O)(O)O)\C(=O)O)\C(=O)O
C(=C(/[C@H](O)P(=O)(O)O)\C(=O)O)\C(=O)O
Non polymer #3
NI
InChI=1S/Ni/q+2
InChI=1S/Ni/q+2
SMILES: [Ni+2]
[Ni+2]
Non polymer #4
SAH
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Biounit #1
homo-dimer
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Model
Reference
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