Structure of PDB 6xl8 Chain A Binding Site BS01

Receptor Information

>6xl8 Chain A (length=258) Species: 9606 (Homo sapiens)

SKQLPQAIIIGVKKGGTRALLEFLRVHPDVRAVGAEPHFFDRSYDKGLAW
YRDLMPRTLDGQITMEKTPSYFVTREAPARISAMSKDTKLIVVVRDPVTR
AISDYTQTLSKRPDIPTFESLTFKNRTAGLIDTSWSAIQIGIYAKHLEHW
LRHFPIRQMLFVSGERLISDPAGELGRVQDFLGLKRIITDKHFYFNKTKG
FPCLKKAEGSSRPHCLGKTKGRTHPEIDREVVRRLREFYRPFNLKFYQMT
GHDFGWDG

Ligand information

• Ligand ID: GNS
• InChI: InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1
• InChIKey: PRDZVHCOEWJPOB-UKFBFLRUSA-N
• SMILES:
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
  ACDLabs 12.01: O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO
  CACTVS 3.370: OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O
• Formula: C6 H13 N O8 S
• Name: 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
  N-SULFO-ALPHA-D-GLUCOSAMINE;
  2-deoxy-2-(sulfoamino)-alpha-D-glucose;
  2-deoxy-2-(sulfoamino)-D-glucose;
  2-deoxy-2-(sulfoamino)-glucose
• ZINC: ZINC000005830072
• PDB chain: 6xl8 Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xl8 Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): T256 W283 S284
• Binding residue (residue number reindexed from 1): T108 W135 S136
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.8.2.30: [heparan sulfate]-glucosamine 3-sulfotransferase 3.

Gene Ontology

Molecular Function

• GO:0008146 sulfotransferase activity

External links

• PDB: RCSB:6xl8, PDBe:6xl8, PDBj:6xl8
• PDBsum: 6xl8
• PubMed: 34458837
• UniProt: Q9Y663|HS3SA_HUMAN Heparan sulfate glucosamine 3-O-sulfotransferase 3A1 (Gene Name=HS3ST3A1)