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- ChemComp-PBW: (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol -

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Basic information

EntryDatabase: PDB chemical components / ID: PBW
NameName: (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

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Chemical information

Composition
Formula: C7H14O6 / Number of atoms: 27 / Formula weight: 194.182 / Formal charge: 0
Others

6yqc

Type: non-polymer / PDB classification: HETAIN / Three letter code: PBW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YQC
History
Create componentApr 20, 2020
Initial releaseApr 28, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(C1O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-

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InChIKey

InChI 1.03QFYQIWDMMSKNFF-VQPJZGIOSA-N

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PDB entries

Showing all 6 items

PDB-6zbw:
Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor

PDB-6zbx:
Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor

PDB-9fyz:
Crystal structure of SusA amylase from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

PDB-9fz0:
Crystal structure of SusG from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

PDB-9fz2:
Crystal structure of Amylase 5 (Amy5) from Ruminococcus bromii covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

PDB-9fz3:
Crystal structure of K38 amylase from Bacillus sp. strain KSM-K38 covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

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