Structure of PDB 3k7s Chain A Binding Site BS01

Receptor Information

>3k7s Chain A (length=152) Species: 353153 (Trypanosoma cruzi strain CL Brener)

MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFA
SRVAEMVARKEVEFGVLACGSGIGMSIAANKVPGVRAALCHDHYTAAMSR
IHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEA
SH

Ligand information

• Ligand ID: R52
• InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
• InChIKey: PPQRONHOSHZGFQ-LMVFSUKVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(O)C=O
  CACTVS 3.341: O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C=O
  CACTVS 3.341: O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O
  OpenEye OEToolkits 1.5.0: C(C(C(C(C=O)O)O)O)OP(=O)(O)O
• Formula: C5 H11 O8 P
• Name: 5-O-phosphono-D-ribose
• DrugBank: DB02053
• ZINC: ZINC000022116391
• PDB chain: 3k7s Chain A Residue 160

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k7s Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D10 H11 Y46 C69 G70 S71 G74
• Binding residue (residue number reindexed from 1): D10 H11 Y46 C69 G70 S71 G74
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): D10 C69 S71 H102 H138
• Catalytic site (residue number reindexed from 1): D10 C69 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:3k7s, PDBe:3k7s, PDBj:3k7s
• PDBsum: 3k7s
• PubMed: 21205211
• UniProt: Q4CQE2