Difference between revisions of "AtomSets/Carbohydrate"
AngelHerraez (talk | contribs) |
AngelHerraez (talk | contribs) (table redesign) |
||
(4 intermediate revisions by the same user not shown) | |||
Line 1: | Line 1: | ||
= 'carbohydrate' atom set = | = 'carbohydrate' atom set = | ||
+ | ''(Updated to Jmol 16.1.9)'' | ||
+ | |||
Atoms are included in this set according to the name of the residue (group) they belong to: | Atoms are included in this set according to the name of the residue (group) they belong to: | ||
Line 11: | Line 13: | ||
[AHR] = alpha-L-arabinofuranose | [AHR] = alpha-L-arabinofuranose | ||
+ | |||
+ | [ALL] = beta-D-allopyranose | ||
+ | |||
+ | [AMU] = N-acetyl-beta-muramic acid | ||
[ARA] = alpha-L-arabinopyranose | [ARA] = alpha-L-arabinopyranose | ||
Line 53: | Line 59: | ||
[GUP] = alpha-L-gulopyranose | [GUP] = alpha-L-gulopyranose | ||
+ | |||
+ | [GXL] = alpha-L-galactopyranose | ||
[LAT] = beta-lactose | [LAT] = beta-lactose | ||
+ | |||
+ | [LBT] = alpha-lactose | ||
[LXC] = beta-L-xylopyranose | [LXC] = beta-L-xylopyranose | ||
Line 70: | Line 80: | ||
[MTT] = maltotetraose | [MTT] = maltotetraose | ||
− | [NAG] = N- | + | [NAG] = N-acetyl-beta-D-glucosamine = β-GlcNAc = 2-(acetylamino)-2-deoxy-beta-D-glucopyranose) (see also NDG) |
[NAN] = <sialic> obsolete, replaced with SIA | [NAN] = <sialic> obsolete, replaced with SIA | ||
+ | |||
+ | [NDG] = N-acetyl-alpha-D-glucosamine = α-GlcNAc = 2-(acetylamino)-2-deoxy-alpha-D-glucopyranose) (see also NAG) | ||
[NGA] = N-acetyl-beta-D-galactosamine = GalNAc = 2-(acetylamino)-2-deoxy-beta-D-galactopyranose (see also A2G) | [NGA] = N-acetyl-beta-D-galactosamine = GalNAc = 2-(acetylamino)-2-deoxy-beta-D-galactopyranose (see also A2G) | ||
Line 89: | Line 101: | ||
[SLB] = 5-N-acetyl-beta-D-neuraminic acid (see also SIA) | [SLB] = 5-N-acetyl-beta-D-neuraminic acid (see also SIA) | ||
+ | |||
+ | [SOE] = α-L-sorbopyranose | ||
+ | |||
+ | [SOL] = L-sorbose | ||
[SOR] = D-glucitol = D-sorbitol | [SOR] = D-glucitol = D-sorbitol | ||
Line 103: | Line 119: | ||
== Cathegorized == | == Cathegorized == | ||
− | |||
<table> | <table> | ||
<tr> | <tr> | ||
− | <th | + | <th></th> |
− | < | + | <th style="border-bottom:1px solid #09E;">linear</th> |
− | + | <th style="border-bottom:1px solid #09E;">pyranose</th> | |
− | + | <th style="border-bottom:1px solid #09E;">furanose</th> | |
+ | </tr> | ||
+ | <tr> | ||
+ | <th rowspan="2" style="border-bottom:1px solid #09E;">glucose</th> | ||
+ | <td></td> | ||
+ | <td>α-D-Glc<sub>p</sub> <br>[GLC]</td> | ||
+ | <td> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>β-D-Glc<sub>p</sub></td> | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">β-D-Glc<sub>p</sub><br>[BGC]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <th | + | <th style="border-bottom:1px solid #09E;">fructose</th> |
− | <td> | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td>β-D-Fru<sub> | + | <td style="border-bottom:1px solid #09E;">β-D-Fru<sub>p</sub><br>[BDF]</td> |
− | <td>[FRU]</td> | + | <td style="border-bottom:1px solid #09E;">β-D-Fru<sub>f</sub><br>[FRU]</td> |
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td> | + | <th rowspan="3" style="border-bottom:1px solid #09E;">galactose</th> |
− | <td>& | + | <td> </td> |
− | <td> | + | <td>α-D-Gal<sub>p</sub><br>[GLA]</td> |
+ | <td> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | + | <td> </td> | |
− | <td | + | <td>β-D-Gal<sub>p</sub><br> [GAL]</td> |
− | <td>& | + | <td> </td> |
− | <td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">α-L-Gal<sub>p</sub><br> [GXL]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <th rowspan="2">mannose</th> | + | <th rowspan="2" style="border-bottom:1px solid #09E;">mannose</th> |
− | <td | + | <td> </td> |
− | <td>α-D-Man<sub>p</sub></td> | + | <td>α-D-Man<sub>p</sub><br> [MAN]</td> |
− | <td> | + | <td> </td> |
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>β-D-Man<sub>p</sub></td> | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">β-D-Man<sub>p</sub><br> [BMA]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <th rowspan=" | + | <th rowspan="2" style="border-bottom:1px solid #09E;">ribose</th> |
− | <td | + | <td> </td> |
− | <td>α-D-Rib<sub>f</sub>< | + | <td> </td> |
− | + | <td>α-D-Rib<sub>f</sub><br> [RIB]</td> | |
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>β-D-Rib<sub> | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td>[BDR]</td> | + | <td style="border-bottom:1px solid #09E;">β-D-Rib<sub>p</sub><br>[RIP]</td> |
+ | <td style="border-bottom:1px solid #09E;">β-D-Rib<sub>f</sub><br> [BDR]</td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td> | + | <th rowspan="4" style="border-bottom:1px solid #09E;">fucose</th> |
− | <td>& | + | <td> </td> |
− | <td> | + | <td>α-D-Fuc<sub>p</sub><br> [FCA]</td> |
+ | <td> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | + | <td> </td> | |
− | <td | + | <td>β-D-Fuc<sub>p</sub><br> [FCB]</td> |
− | <td>& | + | <td> </td> |
− | <td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <td> </td> |
− | <td> | + | <td>α-L-Fuc<sub>p</sub><br> [FUC]</td> |
+ | <td> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">β-L-Fuc<sub>p</sub><br> [FUL]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <th rowspan="3" style="border-bottom:1px solid #09E;">xylose</th> |
− | <td> | + | <td> </td> |
+ | <td>α-D-Xyl<sub>p</sub><br> [XYS]</td> | ||
+ | <td> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | + | <td> </td> | |
− | <td | + | <td>β-D-Xyl<sub>p</sub><br> [XYP]</td> |
− | <td>& | + | <td> </td> |
− | <td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>β- | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">β-L-Xyl<sub>p</sub><br> [LXC]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <th rowspan="2" style="border-bottom:1px solid #09E;">arabinose</th> |
− | <td>[ | + | <td> </td> |
+ | <td>α-L-Ara<sub>p</sub><br> [ARA]</td> | ||
+ | <td>α-L-Ara<sub>f</sub><br>[AHR]</td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | < | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | + | <td style="border-bottom:1px solid #09E;">β-L-Ara<sub>p</sub><br> [ARB]</td> | |
− | <td>& | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td | + | <th style="border-bottom:1px solid #09E;">gulose</th> |
− | <td>α-L- | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">α-L-Gul<sub>p</sub><br> [GUP]</td> |
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <td>& | + | <th style="border-bottom:1px solid #09E;">rhamnose</th> |
− | <td> | + | <td style="border-bottom:1px solid #09E;"> </td> |
+ | <td style="border-bottom:1px solid #09E;">α-L-Rha<sub>p</sub><br> [RAM]</td> | ||
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
<tr> | <tr> | ||
− | <th> | + | <th rowspan="2" style="border-bottom:1px solid #09E;">sorbose</th> |
− | <td> | + | <td>L-sorbose<br> [SOL] <br></td> |
− | <td>& | + | <td> </td> |
− | <td> | + | <td> </td> |
</tr> | </tr> | ||
<tr> | <tr> | ||
− | < | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td> | + | <td style="border-bottom:1px solid #09E;">α-L-sorbopyranose<br> [SOE]</td> |
− | <td>& | + | <td style="border-bottom:1px solid #09E;"> </td> |
− | <td>[ | + | </tr> |
+ | <tr> | ||
+ | <th style="border-bottom:1px solid #09E;">allose</th> | ||
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
+ | <td style="border-bottom:1px solid #09E;">β-D-allopyranose<br> [ALL]</td> | ||
+ | <td style="border-bottom:1px solid #09E;"> </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
=== Amino sugars === | === Amino sugars === | ||
− | [NAG] = β-GlcNAc = N- | + | |
+ | [NDG] = α-GlcNAc = N-acetyl-α-D-glucosamine = 2-(acetylamino)-2-deoxy-α-D-glucopyranose | ||
+ | |||
+ | [NAG] = β-GlcNAc = N-acetyl-β-D-glucosamine = 2-(acetylamino)-2-deoxy-β-D-glucopyranose | ||
[A2G] = α-GalNAc = N-acetyl-α-D-galactosamine = 2-(acetylamino)-2-deoxy-α-D-galactopyranose | [A2G] = α-GalNAc = N-acetyl-α-D-galactosamine = 2-(acetylamino)-2-deoxy-α-D-galactopyranose | ||
[NGA] = β-GalNAc = N-acetyl-β-D-galactosamine = 2-(acetylamino)-2-deoxy-β-D-galactopyranose | [NGA] = β-GalNAc = N-acetyl-β-D-galactosamine = 2-(acetylamino)-2-deoxy-β-D-galactopyranose | ||
− | |||
− | |||
− | |||
− | |||
=== Sugar alcohols === | === Sugar alcohols === | ||
Line 244: | Line 281: | ||
[RHA] = 6-deoxy-mannose-1'-phosphate | [RHA] = 6-deoxy-mannose-1'-phosphate | ||
+ | |||
+ | [SIA] = α-NeuNAc = 5-N-acetyl-α-D-neuraminic acid | ||
+ | |||
+ | [SLB] = β-NeuNAc = 5-N-acetyl-β-D-neuraminic acid | ||
+ | |||
+ | [AMU] = N-acetyl-β-muramic acid | ||
=== Disaccharides === | === Disaccharides === | ||
Line 273: | Line 316: | ||
== References == | == References == | ||
− | * RCSB PDB [http://ligand-expo.rcsb.org/ld-search.html `Ligand | + | * RCSB PDB [http://ligand-expo.rcsb.org/ld-search.html `Ligand Expo´ Chemical Component Search Tools] |
+ | * [PDBe ligand dictionary https://www.ebi.ac.uk/pdbe-srv/pdbechem/] |
Latest revision as of 18:02, 24 April 2023
Contents
'carbohydrate' atom set
(Updated to Jmol 16.1.9)
Atoms are included in this set according to the name of the residue (group) they belong to:
Alphabetic
[A2G] = N-acetyl-alpha-D-galactosamine = GalNAc = 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose (see also NGA)
[AFL] = <fucose> obsolete, replaced with FUL
[AGC] = <glucose> obsolete, replaced with GLC
[AHR] = alpha-L-arabinofuranose
[ALL] = beta-D-allopyranose
[AMU] = N-acetyl-beta-muramic acid
[ARA] = alpha-L-arabinopyranose
[ARB] = beta-L-arabinopyranose
[BDF] = beta-D-fructopyranose (see also FRU)
[BDR] = beta-D-ribofuranose
[BGC] = beta-D-glucopyranose (see also GLC)
[BMA] = beta-D-mannopyranose (see also MAN)
[CBI] = cellobiose
[CT3] = beta-cellotriose
[CTR] = cellotriose
[CTT] = cellotetraose
[FCA] = alpha-D-fucose (see also FCB, FUC, FUL)
[FCB] = beta-D-fucose (see also FCA, FUC, FUL)
[FRU] = beta-D-fructofuranose (see also BDF)
[FUC] = alpha-L-fucose (see also FCA, FCB, FUL)
[FUL] = beta-L-fucose (see also FCA, FCB, FUC)
[GAL] = beta-D-galactopyranose (see also GLA)
[GCU] = alpha-D-glucopyranuronic acid (glucuronic acid)
[GLA] = alpha-D-galactopyranose (see also GAL)
[GLB] = <galactose> obsolete, replaced with GAL
[GLC] = alpha-D-glucopyranose (see also BGC)
[GUP] = alpha-L-gulopyranose
[GXL] = alpha-L-galactopyranose
[LAT] = beta-lactose
[LBT] = alpha-lactose
[LXC] = beta-L-xylopyranose
[MAB] = mannobiose
[MAL] = maltose
[MAN] = alpha-D-mannopyranose (see also BMA)
[MLR] = maltotriose
[MTL] = D-mannitol
[MTT] = maltotetraose
[NAG] = N-acetyl-beta-D-glucosamine = β-GlcNAc = 2-(acetylamino)-2-deoxy-beta-D-glucopyranose) (see also NDG)
[NAN] = <sialic> obsolete, replaced with SIA
[NDG] = N-acetyl-alpha-D-glucosamine = α-GlcNAc = 2-(acetylamino)-2-deoxy-alpha-D-glucopyranose) (see also NAG)
[NGA] = N-acetyl-beta-D-galactosamine = GalNAc = 2-(acetylamino)-2-deoxy-beta-D-galactopyranose (see also A2G)
[RAA] = <rhamnose> obsolete, replaced with RAM
[RAM] = alpha-L-rhamnose
[RHA] = 6-deoxy-mannose-1'-phosphate
[RIB] = alpha-D-ribofuranose
[RIP] = beta-D-ribopyranose
[SIA] = 5-N-acetyl-alpha-D-neuraminic acid (see also SLB)
[SLB] = 5-N-acetyl-beta-D-neuraminic acid (see also SIA)
[SOE] = α-L-sorbopyranose
[SOL] = L-sorbose
[SOR] = D-glucitol = D-sorbitol
[SUC] = sucrose
[TRE] = trehalose
[XYL] = D-xylitol
[XYP] = beta-D-xylopyranose
[XYS] = alpha-D-xylopyranose
Cathegorized
linear | pyranose | furanose | |
---|---|---|---|
glucose | α-D-Glcp [GLC] |
||
β-D-Glcp [BGC] |
|||
fructose | β-D-Frup [BDF] |
β-D-Fruf [FRU] |
|
galactose | α-D-Galp [GLA] |
||
β-D-Galp [GAL] |
|||
α-L-Galp [GXL] |
|||
mannose | α-D-Manp [MAN] |
||
β-D-Manp [BMA] |
|||
ribose | α-D-Ribf [RIB] |
||
β-D-Ribp [RIP] |
β-D-Ribf [BDR] |
||
fucose | α-D-Fucp [FCA] |
||
β-D-Fucp [FCB] |
|||
α-L-Fucp [FUC] |
|||
β-L-Fucp [FUL] |
|||
xylose | α-D-Xylp [XYS] |
||
β-D-Xylp [XYP] |
|||
β-L-Xylp [LXC] |
|||
arabinose | α-L-Arap [ARA] |
α-L-Araf [AHR] |
|
β-L-Arap [ARB] |
|||
gulose | α-L-Gulp [GUP] |
||
rhamnose | α-L-Rhap [RAM] |
||
sorbose | L-sorbose [SOL] |
||
α-L-sorbopyranose [SOE] |
|||
allose | β-D-allopyranose [ALL] |
Amino sugars
[NDG] = α-GlcNAc = N-acetyl-α-D-glucosamine = 2-(acetylamino)-2-deoxy-α-D-glucopyranose
[NAG] = β-GlcNAc = N-acetyl-β-D-glucosamine = 2-(acetylamino)-2-deoxy-β-D-glucopyranose
[A2G] = α-GalNAc = N-acetyl-α-D-galactosamine = 2-(acetylamino)-2-deoxy-α-D-galactopyranose
[NGA] = β-GalNAc = N-acetyl-β-D-galactosamine = 2-(acetylamino)-2-deoxy-β-D-galactopyranose
Sugar alcohols
[MTL] = D-mannitol
[SOR] = D-glucitol = D-sorbitol
[XYL] = D-xylitol
Sugar acids
[GCU] = D-glucuronic acid = α-D-glucopyranuronic acid
[RHA] = 6-deoxy-mannose-1'-phosphate
[SIA] = α-NeuNAc = 5-N-acetyl-α-D-neuraminic acid
[SLB] = β-NeuNAc = 5-N-acetyl-β-D-neuraminic acid
[AMU] = N-acetyl-β-muramic acid
Disaccharides
[MAL] = maltose = [α-D-Glcp(1->4)]2
[CBI] = cellobiose = [β-D-Glcp(1->4)]2
[TRE] = trehalose = α-D-Glcp(1->1)α-D-Glcp
[MAB] = mannobiose = [β-D-Manp(1->4)]2
[LBT] = alpha-lactose = β-D-Galp(1->4)α-D-Glcp
[LAT] = beta-lactose = β-D-Galp(1->4)β-D-Glcp
[SUC] = sucrose = β-D-Fruf(2->1)α-D-Glcp
Trisaccharides
[MLR] = maltotriose = [α-D-Glcp(1->4)]3
[CTR] = cellotriose = [β-D-Glcp(1->4)]2α-D-Glcp
[CT3] = beta-cellotriose = [β-D-Glcp(1->4)]3
Tetrasaccharides
[MTT] = maltotetraose = [α-D-Glcp(1->4)]4
[CTT] = cellotetraose = [β-D-Glcp(1->4)]4
References
- RCSB PDB `Ligand Expo´ Chemical Component Search Tools
- [PDBe ligand dictionary https://www.ebi.ac.uk/pdbe-srv/pdbechem/]