Ligand · HSD

HSD · (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

HSD, (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol (C7 H13 N O4, 175.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component: HSD
Formula: C7 H13 N O4
Class: ligand
Structures: 4
PDB entries: 3

Binding sites

HSD in 4 structures; the first of them:

1UH3 · Thermoactinomyces vulgaris R-47 alpha-amylase/acarbose complex · HSD A810 · binds ASN400, ASP418, GLY451, ASN455
3OLG · Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 · HSD A500 · binds ALA106, ASP147, THR163, GLY164
3OLI · Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 · HSD A500 · binds ALA106, ASP147, THR163
1UH3 · Thermoactinomyces vulgaris R-47 alpha-AMYLASE/ACARBOSE complex · HSD A810 · binds ASN400, ASP418, GLY451, ASN455

Residues it binds most

ASP 6, ALA 4, ASN 2, HIS 2, LEU 2, GLY 3, ARG 2, GLU 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

CA · Calcium ion
BGC · beta-D-glucopyranose
GLC · alpha-D-glucopyranose
ACI · 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol
PCA · Pyroglutamic acid
G6D · alpha-D-quinovopyranose
GLD · 4,6-dideoxy-alpha-D-xylo-hexopyranose
CL · Chloride ion
SO4 · Sulfate ion
MPD · (4S)-2-methyl-2,4-pentanediol

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