Structure of PDB 3te9 Chain B Binding Site BS01

Receptor Information

>3te9 Chain B (length=313) Species: 119856 (Francisella tularensis subsp. tularensis)

MQKSVLEQLKQVTMVVADTGDFELIKKYKPVDATTNPSLILKAVKEQKYS
NLVAETISKVKANNPDLNSDDLVKEIAIEILVSFGIKILDVIEGKVSSEV
DARVSFNSATTIDYAKRIIARYESNGIPKDRVLIMIAATWEGIKAAKLLQ
KEGINCNLTLIFDKAQAKACAEAGVYLVSPFVGRITDWQMQQNNLKTFPA
IADDDGVNSVKAIYKLYKSHGFKTIVMGASFRNVEQVIALAGCDALTISP
VLLEELKNRDEHLEVKLTSPQISEADFRWLMNENAMATHKLAEGIRLFTK
DTIELENIIKQNL

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3te9 Chain B Residue 322

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3te9 Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R184 S230 R232
• Binding residue (residue number reindexed from 1): R184 S230 R232
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D18 E99 M135 T159 F181
• Catalytic site (residue number reindexed from 1): D18 E99 M135 T159 F181
• Enzyme Commision number: 2.2.1.2: transaldolase.

Gene Ontology

Molecular Function

• GO:0004801 transaldolase activity
• GO:0016740 transferase activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006098 pentose-phosphate shunt
• GO:0009052 pentose-phosphate shunt, non-oxidative branch

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3te9, PDBe:3te9, PDBj:3te9
• PDBsum: 3te9
• PubMed: 24531488
• UniProt: Q5NFX0