Structure of PDB 3k7p Chain A Binding Site BS01

Receptor Information

>3k7p Chain A (length=153) Species: 353153 (Trypanosoma cruzi strain CL Brener)

MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFA
SRVAEMVARKEVEFGVLAAGSGIGMSIAANKVPGVRAALCHDHYTAAMSR
IHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEA
SHA

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: 3k7p Chain A Residue 160

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k7p Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): H102 R137 R141
• Binding residue (residue number reindexed from 1): H102 R137 R141
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D10 A69 S71 H102 H138
• Catalytic site (residue number reindexed from 1): D10 A69 S71 H102 H138
• Enzyme Commision number: 5.3.1.6: ribose-5-phosphate isomerase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:3k7p, PDBe:3k7p, PDBj:3k7p
• PDBsum: 3k7p
• PubMed: 21205211
• UniProt: Q4CQE2