2025-08-16_00000290
|
hard
|
9KHP
The crystal structure of XhnM1 with SAH;
X-ray diffraction 1.73Å
Protein #1
283 residues (91% resolved)
Raw Sequence ...
MTTDITEATGSTAVTEANGATTGITGPVPAGAAGAPGHEPLLGDPFGAVLRRCLDGGGTRDLAFEVVERDDGFIIAQDAGIYFAPPGEWPPTEQWAVERARGRVLDVGCGAGRHGLALREAGLDVLGVDSSPGAAEVARERGLDVLEARFTELPARLPDGAGPFDTFLLLGNGTGLLGTPAQARETLGALAEVAAPGAVILGDGLDVPVPPDRAAYERWNAERGRPEGFVRIRLRDRLLVGEWFDYAMISPDDLGRVLAGTRWDLASVERAGVRYLATLRLRD
Canonical Sequence ...
MTTDITEATGSTAVTEANGATTGITGPVPAGAAGAPGHEPLLGDPFGAVLRRCLDGGGTRDLAFEVVERDDGFIIAQDAGIYFAPPGEWPPTEQWAVERARGRVLDVGCGAGRHGLALREAGLDVLGVDSSPGAAEVARERGLDVLEARFTELPARLPDGAGPFDTFLLLGNGTGLLGTPAQARETLGALAEVAAPGAVILGDGLDVPVPPDRAAYERWNAERGRPEGFVRIRLRDRLLVGEWFDYAMISPDDLGRVLAGTRWDLASVERAGVRYLATLRLRD
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
CYS
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
SMILES: C([C@@H](C(=O)O)N)S
C([C@@H](C(=O)O)N)S
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #5
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #6
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
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