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- PDB-1car: I-CARRAGEENAN. MOLECULAR STRUCTURE AND PACKING OF POLYSACCHARIDE ... -

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Entry
Database: PDB / ID: 1car
TitleI-CARRAGEENAN. MOLECULAR STRUCTURE AND PACKING OF POLYSACCHARIDE DOUBLE HELICES IN ORIENTED FIBRES OF DIVALENT CATION SALTS
Components(0) x 4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose
KeywordsTEXTURE OF CONNECTIVE TISSUE
MethodFIBER DIFFRACTION / Resolution: 3 Å
AuthorsArnott, S.
Citation
Journal: J.Mol.Biol. / Year: 1974
Title: Iota-carrageenan: molecular structure and packing of polysaccharide double helices in oriented fibres of divalent cation salts.
Authors: Arnott, S. / Scott, W.E. / Rees, D.A. / McNab, C.G.
#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: Advisory / Atomic model ...Advisory / 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 / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_symm_contact / 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 / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_unobs_or_zero_occ_atoms.label_seq_id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_value_order / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_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)2,8342
Polymers00
Non-polymers2,8342
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)13.730, 13.730, 13.280
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number153
Space group name H-MP3212
DetailsTHE TWO SIX-RESIDUE CHAIN-SEGMENTS GIVEN HERE WERE OBTAINED FROM THE PUBLISHED COORDINATES FOR A TWO-RESIDUE FRAGMENT OF THE DOUBLE-HELICAL STRUCTURE. THE CHAIN LABELLED *A* WAS GENERATED BY THE ACTION OF A 31 SCREW AXIS ON THE PUBLISHED COORDINATES. THE CHAIN DENOTED *B* WAS DERIVED USING THE NON-CRYSTALLOGRAPHIC EQUIPOINTS - Y-X,-X,Z+1.32/2.656-1/3 X,Y,Z+1.32/2.656 -Y,X-Y,Z+1.32/2.656+1/3

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Components

#1: Polysaccharide 4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O- ...4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose


Type: oligosaccharide / Mass: 1417.193 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
WURCS=2.0/2,6,5/[a2112h-1a_1-5_3-6_2*OSO/3=O/3=O][a2112h-1b_1-5_4*OSO/3=O/3=O]/1-2-1-2-1-2/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1WURCSPDB2Glycan 1.1.0
[][<C30O37S5>]{[(1+1)][b-D-3-deoxy-Galp4SO3]{}}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: other / Details: 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 0 174 0 174

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