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PDBsum entry 1l2q

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Transferase PDB id
1l2q
Contents
Protein chain
458 a.a.
Ligands
NH4
Waters ×536

References listed in PDB file
Key reference
Title A new uag-Encoded residue in the structure of a methanogen methyltransferase.
Authors B.Hao, W.Gong, T.K.Ferguson, C.M.James, J.A.Krzycki, M.K.Chan.
Ref. Science, 2002, 296, 1462-1466. [DOI no: 10.1126/science.1069556]
PubMed id 12029132
Abstract
Genes encoding methanogenic methylamine methyltransferases all contain an in-frame amber (UAG) codon that is read through during translation. We have identified the UAG-encoded residue in a 1.55 angstrom resolution structure of the Methanosarcina barkeri monomethylamine methyltransferase (MtmB). This structure reveals a homohexamer comprised of individual subunits with a TIM barrel fold. The electron density for the UAG-encoded residue is distinct from any of the 21 natural amino acids. Instead it appears consistent with a lysine in amide-linkage to (4R,5R)-4-substituted-pyrroline-5-carboxylate. We suggest that this amino acid be named l-pyrrolysine.
Figure 2.
Fig. 2. (A) Fit of (4R,5R)-4-substituted-pyrroline-5-carboxylate to the 2F[O] - F[C] 3 density of the NaCl crystal form (orientation 1). The substituent attached to the C-4 carbon is shown as a methyl, but it could also be an ammonium or hydroxyl group. (B) Stick-diagram of proposed L-pyrrolysine amino acid. (C) Residual F[O] - F[C] difference map of NH[4]SO[4] crystal form after incorporation of a 40% occupancy model consisting of L-pyrrolysine in orientation 1 and an exogenous ammonium ion. This remaining omit density suggests that L-pyrrolysine adopts a different orientation (orientation 2) at 60% occupancy in NH[4]SO[4] with an amine added to the C-2 carbon of the pyrroline ring. These figures were prepared with the programs XtalView, MOLSCRIPT, and Raster3D (22-24).
Figure 3.
Fig. 3. Stereoview of primary forms of the active site around the amber-encoded ligand: (A) NaCl crystals; (B) (NH[4])[2]SO[4] crystals, 40% occupancy orientation that is similar to NaCl crystals; (C) (NH[4])[2]SO[4] crystals, 60% occupancy orientation with amine added to ring. These figures were prepared with the programs XtalView, MOLSCRIPT, and Raster3D. (22-24).
The above figures are reprinted by permission from the AAAs: Science (2002, 296, 1462-1466) copyright 2002.
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