- PDB-6da9: Crystal structure of the TtnD decarboxylase from the tautomycetin... -
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データベース: PDB / ID: 6da9
タイトル
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with FMN bound at 2.05 A resolution
解像度: 2.05→19.98 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.93 / SU R Cruickshank DPI: 0.299 / 交差検証法: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.17 / SU Rfree Blow DPI: 0.143 / SU Rfree Cruickshank DPI: 0.143 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 APO TTND ...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 APO TTND STRUCTURE (PDBID 6DA7) WERE INCLUDED. 4. CRYSTAL WAS SOAKED WITH FMN AS A MIMIC OF THE REQUIRED CO-FACTOR, PRENYLATED-FMN (prFMN). 4. AN UNKNOWN LIGAND (UNL) IS MODELED. THERE ARE 2 UNL's BOUND IN THE TETRAMER. THE SHAPE LOOKS LIKE BENZOATE OR NIACIN. THE SITE IS ON A CRYSTALLOGRPAHIC TWO-FOLD AXIS.