- PDB-2kk8: NMR Solution Structure of a Putative Uncharacterized Protein obta... -
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Basic information
Entry
Database: PDB / ID: 2kk8
Title
NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3449A
Components
Uncharacterized protein AT4g05270
Keywords
Structural Genomics / Unknown function / Arabidopsis thaliana / AR3449A / uncharacterized putative protein / NESG / Protein Structure Initiative / Northeast Structural Genomics Consortium
Function / homology
Function and homology information
proteasome binding / polyubiquitin modification-dependent protein binding / ubiquitin binding / proteasome-mediated ubiquitin-dependent protein catabolic process / nucleoplasm / cytosol Similarity search - Function
Method: simulated annealing / Software ordinal: 1 Details: The structure was obtained using triple resonance NMR spectroscopy. GFT-NMR experiments were used for backbone assignments. Automated NOESY assignments were made using AUTOSTRUCTURE and ...Details: The structure was obtained using triple resonance NMR spectroscopy. GFT-NMR experiments were used for backbone assignments. Automated NOESY assignments were made using AUTOSTRUCTURE and CYANA-2.1. Dihedral angle constraints were obteined from TALOS. The assignments were validated using AVS software. FInal structure factors determined using PSVS: ordered residues: alpha helices- 33.44, 67-70, beta strands- 22-27, 11-17, 78-82, 51-55, 58-59. Ramachandran statistics for ordered residues: 89.1% most favoured regions, 10.9% additionally favoured regions. Procheck scores for ordered residues (RAW/Z): phi/psi -0.43/-1.38, all -0.18/-1.06, MolProbity clashscores- 21.46/-2.16. RPF score for goodness fit to the NOESY data: Recall-0.998, Precision-0.93, final dp-score-0.869
NMR constraints
NOE constraints total: 1362 / NOE intraresidue total count: 237 / NOE long range total count: 454 / NOE medium range total count: 317 / NOE sequential total count: 354 / Protein phi angle constraints total count: 91 / Protein psi angle constraints total count: 91
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Maximum lower distance constraint violation: 0.01 Å / Maximum upper distance constraint violation: 0.2 Å
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