- PDB-6da6: Crystal structure of the TtnD decarboxylase from the tautomycetin... -
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データベース: PDB / ID: 6da6
タイトル
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes, apo form at 2.6 A resolution (P212121)
解像度: 2.59→26.13 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.906 / 交差検証法: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.696 / SU Rfree Blow DPI: 0.272 詳細: 1. TLS GROUPS WERE ASSIGNED WITH THE AID OF TLSMD. 2. ZERO OCCUPANCY HYDROGENS IN THEIR RIDING POSITION WERE USED AS ANTI-BUMPING RESTRAINTS. 3. LSSR TARGET RESTRAINTS TO THE HIGHER ...詳細: 1. TLS GROUPS WERE ASSIGNED WITH THE AID OF TLSMD. 2. ZERO OCCUPANCY HYDROGENS IN THEIR RIDING POSITION WERE USED AS ANTI-BUMPING RESTRAINTS. 3. LSSR TARGET RESTRAINTS TO THE HIGHER RESOLUTION APO TTND STRUCTURE (PDBID 6DA7) WERE INCLUDED ALONG WITH NCS RESTRAINTS. 4. AN UNKNOWN LIGAND (UNL) IS MODELED. THERE ARE 2 UNL'S BOUND IN THE TETRAMER. THE SHAPE IN THE HIGHER RESOLUTION I222 CRYSTAL FORM LOOKS LIKE BENZOATE OR NIACIN. IT WAS MOLDELED IN A SIMILAR CONFIGURATION. 5. MAGNESIUM SITES INCLUDED GEOMETRIC RESTRAINTS. 6. DENSITY IS POOR IN PARTS OF CHAINS C AND D. MODELING WAS BASED ON THE NCS AND HIGH RESOLUTION TARGET STRUTURE FOR THESE REGIOINS.