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Literature summary for 2.8.2.23 extracted from

  • Sankaranarayanan, N.V.; Bi, Y.; Kuberan, B.; Desai, U.R.
    Combinatorial virtual library screening analysis of antithrombin binding oligosaccharide motif generation by heparan sulfate 3-O-Sulfotransferase 1 (2020), Comput. Struct. Biotechnol. J., 18, 933-941 .
    View publication on PubMedView publication on EuropePMC
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Organism

Organism UniProt Comment Textmining
Mus musculus O35310
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Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information combinatorial virtual library screening analysis of antithrombin binding oligosaccharide motif generation by heparan sulfate 3-O-sulfotransferase 1 (3OST-1). The enzyme prefers very well defined pentasaccharide sequences carrying distinct groups in each of the five residues to generate the antithrombin binding motif. Key residues include His271, Arg72, Arg197 and Lys173, which interact with 6-sulfate, 5-COO-, 2-/6-sulfates and 2-sulfate at the -2, -1, +2, and +1 positions of the precursor pentasaccharide, respectively. Additionally, uncharged residues, especially Gln163 and Asn167, are also identified as playing important roles in recognition, mechanism, overview Mus musculus ?
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Synonyms

Synonyms Comment Organism
3-O-sulfotransferase isoform 1
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 Mus musculus
3-O-sulfotransferase-1
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 Mus musculus
3OST-1
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 Mus musculus
Hs3st-1
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 Mus musculus

General Information

General Information Comment Organism
additional information enzyme structure modeling using the crystal structure of the 3OST-1-HS heptasaccharide complex (PDB ID 3UAN), overview. Heparan sulfate (HS) and heparin are sulfated glycosamino-glycans (GAG) composed of repeating disaccharide units of (1->4)-linked alpha-D-glucosamine and uronic acid. Whereas HS disaccharides are predominantly formed by beta-D-glucuronate and alpha-D-glucosamine that can be either N-acetylated or N-sulfated, heparin is more sulfated, composed mainly of alpha-L-iduronate 2-O-sulfate and alpha-D-glucosamine N,6-sulfate Mus musculus
physiological function pharmaceutical heparin's activity arises from a key high affinity and high selectivity antithrombin binding motif, which forms the basis for its use as an anticoagulant. Generation of the antithrombin-binding motif by the key enzyme involved in heparin biosynthesis, 3-O-sulfotransferase-1 (3OST-1). 3OST-1 recognize glycosaminoglycans with very high selectivity, analysis of the recognition of oligosaccharide sequences by 3OST-1 using combinatorial virtual library screening (CVLS) algorithm on hundreds of tetrasaccharide and hexasaccharide sequences, two libraries of tetrasaccharide and one library of hexasaccharide topologies are constructed using naturally occurring saccharide residues including GlcNS, GlcNS6S, GlcNAc, GlcNAc6S, IdoA, IdoA2S and GlcA. For tetrasaccharide sequences, the nonreducing end (NRE) residue is either a GlcN or a UA, identification of high affinity/high specificity sequences binding to 3OST-1 utilizing the CVLS algorithm, detailed overview. The antithrombin-binding motif (ABM) in heparin/heparan sulfate (Hp/HS) is introduced by 3OST-1 when it acts on the precursor sequence to convert the 3-OH group of central GlcN residue to the 3-O-sulfate group Mus musculus