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- PDB-3hya: HYALURONIC ACID, MOLECULAR CONFORMATIONS AND INTERACTIONS IN TWO ... -

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Entry
Database: PDB / ID: 3hya
TitleHYALURONIC ACID, MOLECULAR CONFORMATIONS AND INTERACTIONS IN TWO SODIUM SALTS
Components
  • (0) x D-GLUCURONIC ACID
  • (1) x N-ACETYL-D-GLUCOSAMINE
  • (2) x BETA-D-GLUCOPYRANURONIC ACID
  • (3) x SODIUM ION
  • (4) x water
KeywordsTEXTURE OF CONNECTIVE TISSUE
MethodFIBER DIFFRACTION / Resolution: 3 Å
AuthorsArnott, S.
Citation
Journal: J.Mol.Biol. / Year: 1975
Title: Hyaluronic acid: molecular conformations and interactions in two sodium salts.
Authors: Guss, J.M. / Hukins, D.W. / Smith, P.J. / Winter, W.T. / Arnott, S.
#1: Journal: Acta Crystallogr.,Sect.A / Year: 1978
Title: Lals, a Linked-Atom Least-Squares Reciprocal-Space Refinement System Incorporating Stereochemical Restraints to Supplement Sparse Diffraction Data
Authors: Smith, P.J.C. / Arnott, S.
#2: Journal: J.Mol.Biol. / Year: 1975
Title: Hyaluronic Acid, Structure of a Fully Extended 3-Fold Helical Sodium Salt and Comparison with the Less Extended 4-Fold Helical Forms
Authors: Winter, W.T. / Smith, P.J.C. / Arnott, S.
Validation Report
SummaryFull reportAbout validation report
History
DepositionNov 20, 1977-
Revision 1.0Mar 28, 1980Provider: repository / Type: Initial release
Revision 1.1Mar 21, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Non-polymer description / Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,75312
Polymers0
Non-polymers1,75312
Water1448
Unit cell
γ
α
β
Length a, b, c (Å)11.530, 9.890, 33.860
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
DetailsTHE EIGHT-RESIDUE CHAIN SEGMENT GIVEN HERE WAS GENERATED FROM THE PUBLISHED FOUR-RESIDUE SEGMENT BY APPLICATION OF THE 21 SCREW AXIS AS DEFINED IN THE FOOTNOTE TO TABLE 8 OF THE PAPER CITED IN THE JRNL RECORDS ABOVE.

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Components

#1: Chemical ChemComp-GCU / D-GLUCURONIC ACID / Glucuronic acid


Mass: 194.139 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H10O7
#2: Sugar
ChemComp-NAG / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Mass: 221.208 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
#3: Chemical ChemComp-BDP / BETA-D-GLUCOPYRANURONIC ACID / D-GLUCURONIC ACID / Glucuronic acid


Mass: 194.139 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C6H10O7
#4: Chemical
ChemComp-NA / SODIUM ION / Sodium


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: FIBER DIFFRACTION

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Data collection

Radiation wavelengthRelative weight: 1

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Processing

Software
NameVersionClassification
LINKED-ATOMLEAST-SQUARES MODEL-BUILDING PROCEDURErefinement
LALSrefinement
RefinementHighest resolution: 3 Å
Details: THE SPACE GROUP USED FOR THIS ANALYSIS WAS P 21 21 21 IN A NON STANDARD SETTING WITH THE 21 AXIS PARALLEL TO Z PASSING THROUGH X=0,Y=0 AND THE 21 AXIS PARALLEL TO X IN THE Z=0 PLANE.
Refinement stepCycle: LAST / Highest resolution: 3 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 0 108 8 116
Refinement
*PLUS
Highest resolution: 3 Å
Solvent computation
*PLUS
Displacement parameters
*PLUS

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