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- PDB-1kes: CONFORMATION OF KERATAN SULPHATE -

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Entry
Database: PDB / ID: 1kes
TitleCONFORMATION OF KERATAN SULPHATE
Components(0) x 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose-(1-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose-(1-3)-6-O-sulfo-beta-D-galactopyranose
KeywordsTEXTURE OF CONNECTIVE TISSUE
MethodFIBER DIFFRACTION / Resolution: 3 Å
AuthorsArnott, S.
Citation
Journal: J.Mol.Biol. / Year: 1974
Title: Conformation of keratan sulphate.
Authors: Arnott, S. / Gus, J.M. / Hukins, D.W. / Dea, I.C. / Rees, D.A.
#1: Journal: J.Chem.Soc.,Perkin Trans.2 / Year: 1972
Title: Accurate X-Ray Diffraction Analysis of Fibrous Polysaccharides Containing Pyranose Rings. Part 1 the Linked-Atom Approach.
Authors: Arnott, S. / Scott, W.E.
History
DepositionMay 23, 1978Processing site: BNL
Revision 1.0Mar 28, 1980Provider: repository / Type: Initial release
Revision 1.1Mar 21, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly / pdbx_struct_oper_list / struct_asym / struct_conn / struct_ref / struct_ref_seq
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _pdbx_database_status.process_site / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_value_order / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Feb 7, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,0691
Polymers00
Non-polymers1,0691
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)1.000, 1.000, 1.000
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number1
Space group name H-MP1
DetailsTHE FOUR-RESIDUE CHAIN SEGMENT GIVEN HERE WAS GENERATED FROM THE PUBLISHED TWO-RESIDUE SEGMENT BY APPLICATION OF THE TWO-FOLD SCREW AXIS PARALLEL TO Z AND PASSING THROUGH X=0,Y=0.

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Components

#1: Polysaccharide 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose-(1-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-2- ...2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose-(1-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose-(1-3)-6-O-sulfo-beta-D-galactopyranose


Type: oligosaccharide / Mass: 1068.934 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAc[6S]b1-3DGalp[6S]b1-4DGlcpNAc[6S]b1-3DGalp[6S]b1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-1-2/a3-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[][b-D-Galp6SO3]{[(3+1)][b-D-GlcpNAc6SO3]{[(4+1)][b-D-Galp6SO3]{[(3+1)][b-D-4-deoxy-GlcpNAc6SO3]{}}}}LINUCSPDB-CARE

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Experimental details

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Experiment

ExperimentMethod: FIBER DIFFRACTION

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Sample preparation

Crystal grow
*PLUS
Method: unknown

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Processing

Software
NameVersionClassification
LINKED-ATOMLEAST-SQUARES MODEL-BUILDING PROCEDURErefinement
LALSrefinement
RefinementHighest resolution: 3 Å
Refinement stepCycle: LAST / Highest resolution: 3 Å /
ProteinNucleic acidLigandSolventTotal
Num. atoms0 0 66 0 66

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