Ligand · BBK

BBK · 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose

BBK, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose (C8 H15 N O5 S, 237.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component: BBK
Formula: C8 H15 N O5 S
Class: sugar
Structures: 4
PDB entries: 2

Binding sites

BBK in 4 structures; the first of them:

4D0Z · GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) · BBK A1581 · binds ASP458, LEU460, GLY461, TYR471, HIS474, GLY477, GLY478, ASN479 and 3 more
4D11 · GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution… · BBK A1571 · binds ASP458, LEU460, GLY461, TYR471, HIS474, GLY478, ASN479, GLN480 and 2 more
4D0Z · Galnac-T2 crystal soaked with udp-5SGALNAC, MEA2 and manganese (higher resolution dataset) · BBK A1581 · binds ASP458, LEU460, GLY461, TYR471, HIS474, GLY477, GLY478, ASN479 and 3 more
4D11 · Galnac-T2 crystal soaked with udp-5SGALNAC, MEA2 peptide and manganese (lower resolution… · BBK A1571 · binds ASP458, LEU460, GLY461, TYR471, HIS474, GLY478, ASN479, GLN480 and 2 more

Residues it binds most

GLY 16, HIS 16, ALA 16, ASN 16, ASP 16, GLN 16, LEU 16, TYR 16, CYS 2, GLU 2 (residue and the binding sites it lines).

Found with

MN · Manganese (II) ion
HWU · (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
UDP · Uridine-5'-diphosphate
EDO · 1,2-ethanediol

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