Structure of PDB 8fux Chain A Binding Site BS01

Receptor Information

>8fux Chain A (length=322) Species: 562 (Escherichia coli)

GIGIYSPGIWRIPHLEKFLAQPCQKLSLLRPVPQEVNAIAVWGHRPSAAK
PVAIAKAAGKPVIRLEDGFVRSLDLGVNGEPPLSLVVDDCGIYYDASKPS
ALEKLVQDKAGNTALISQAREAMHTIVTGDMSKYNLAPAFVADESTNIVL
VVDQTFNCMSVTYGNAGPHEFAAMLEAAMAENPQAEIWVKVHPDVLEGKK
TGYFADLRATQRVRLIAENVSPQSLLRHVSRVYVVTSQYGFEALLAGKPV
TCFGQPWYASWGLTDDRHPQSALLSARRGSATLEELFAAAYLRYCRYIDP
QTGEVSDLFTVLQWLQLQRRHH

Ligand information

• Ligand ID: KD3
• InChI: InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8+/m1/s1
• InChIKey: NNLZBVFSCVTSLA-FBXMPTEYSA-N
• SMILES:
  CACTVS 3.385: OC[C@@H](O)[C@H]1O[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
  OpenEye OEToolkits 2.0.7: C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O
  CACTVS 3.385: OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
  OpenEye OEToolkits 2.0.7: C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O)[C@@H](CO)O)O)O
  ACDLabs 12.01: OC(=O)C1(O)CC(O)C(O)C(O1)C(O)CO
• Formula: C8 H14 O8
• Name: 3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid
• ZINC: ZINC000044168213
• PDB chain: 8fux Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8fux Mechanism and linkage specificities of the dual retaining beta-Kdo glycosyltransferase modules of KpsC from bacterial capsule biosynthesis.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): S6 G8 I9 W42 R45 S47
• Binding residue (residue number reindexed from 1): S6 G8 I9 W42 R45 S47
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0000271 polysaccharide biosynthetic process
• GO:0015774 polysaccharide transport

External links

• PDB: RCSB:8fux, PDBe:8fux, PDBj:8fux
• PDBsum: 8fux
• PubMed: 36924942
• UniProt: A0A0H2Z2W8