2024-07-13_00000201
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ligand
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9FYB
Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies;
X-ray diffraction 1.84Å
Protein #1
214 residues (86% resolved)
Raw Sequence ...
NTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Canonical Sequence ...
NTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
NMN
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
SMILES: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #5
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Non polymer #6
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
homo-dimer
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Model
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