Ligand · NGS

NGS · 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose

NGS, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose (C8 H15 N O9 S, 301.3 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 it binds most…

Component: NGS
Formula: C8 H15 N O9 S
Class: ligand
Structures: 4
PDB entries: 3

Binding sites

NGS in 4 structures; the first of them:

7DVA · Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc · NGS B601 · binds ARG171, GLU200, HIS270, ASP335, GLU336, TRP389, TRP409, GLN431 and 6 more
6X3K · Hsa siglec and unique domains in complex with 6S-sialy-lewisx · NGS B1 · binds GLU286, ASP356
7DVA · A complex of a new GH20 enzyme from bacteroides thetaiotaomicron · NGS B601 · binds ARG171, GLU200, HIS270, ASP335, GLU336, TRP389, TRP409, GLN431 and 6 more
7DVB · A complex of a new GH20 enzyme from bacteroides thetaiotaomicron · NGS D602 · binds TYR228, GLN296, GLY297, ILE298, MET448, GLN450, GLU487, TRP488

Residues it binds most

GLU 6, TRP 5, GLN 5, ARG 4, ASP 5, TYR 5, ASN 4, HIS 4, LYS 2, GLY 1 (residue and the binding sites it lines).

Found with

GOL · Glycerol
Q4Z · [(3~{A}~{R},5~{R},6~{S},7~{R},7~{A}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{A}-tetrahydro-3~{A}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
NA · Sodium ion
FUC · alpha-L-fucopyranose
GAL · beta-D-galactopyranose
SIA · N-acetyl-alpha-neuraminic acid

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