NDB ID: UR0055


Title:CRYSTAL STRUCTURE OF SELENIUM-MODIFIED DIELS-ALDER RIBOZYME COMPLEXED WITH THE PRODUCT OF THE REACTION BETWEEN N-PENTYLMALEIMIDE AND COVALENTLY ATTACHED 9-HYDROXYMETHYLANTHRACENE
Molecular Description:ribozyme

(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE
Structural Features:T SINGLE STRAND, LOOPS, HAIRPIN LOOP, HAMMERHEAD DNA-RNA RIBOZYME
Nucleic Acid Sequence:
ChainsA, C: G G A G C (UMS) C G C (CSL) C
ChainsB, D: G G G (CSL) G A G G (CSL) C G U G C C G G C (UMS) C U (UMS) C G G A G C A A U A C U C G G C
Primary Citation:Serganov, A., Keiper, S., Malinina, L., Tereshko, V., Skripkin, E., Hobartner, C., Polonskaia, A., Phan, A.T., Wombacher, R., Micura, R., Dauter, Z., Jaschke, A., Patel, D.J.
Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol. , 12, pp. 218 - 224, 2005.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   1
Cell Constants:
a = 77.873b = 43.269c = 79.928(Ångstroms)
= 90.00 = 106.19 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:PEG 00 sodium HEPES, H2O
Reservoir:PEG 00 sodium HEPES, 2-methyl-2,4-pentadiol, magnesim chloride, sodium chloride, rubidium chloride, H2O
Refinement:The structure was refined using the REFMAC 5.1.9999 program. The R value is 20.881 for 9979 reflections in the resolution range 20.00 to 3.00 Ångstroms with Fobs > 0 sigma(Fobs).

Biological Unit 1
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Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Unit coordinates (pdb format)12

Structure Factors (cif format)

XML | Complete with coordinates (xml format, GNU compressed(.gz))
XML | Coordinates only (xml format, GNU compressed(.gz))
XML | Header only (xml format, GNU compressed(.gz))

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Base Pair Step Parameters

Hydrogen Bonding Classification

Links

The Protein Data Bank: 1YLS

PubMed: 15723077




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