Structure of PDB 2wsr Chain A Binding Site BS01

Receptor Information

>2wsr Chain A (length=242) Species: 5702 (Trypanosoma brucei brucei)

SKPQPIAAANWKCNGSQQSLSELIDLFNSTSINHDVQCVVAPRFVMIAMT
KERLSHPKFVIAAQNAGNADGLASLKDFGVNWIVLGHSERRAYYGETNEI
VADKVAAAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIAKKLKKAD
WAKVVIAYEPVWAIGTGKVATPQQAQETHALIRSWVSSKIGADVAGELRI
LYGGSVNGKNARTLYQQRDVNGFLVGGASLKPEFVDIIKATQ

Ligand information

• Ligand ID: AZI
• InChI: InChI=1S/N3/c1-3-2/q-1
• InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [N-]=[N+]=[N-]
• Formula: N3
• Name: AZIDE ION
• ChEMBL: CHEMBL79455
• PDB chain: 2wsr Chain A Residue 1256

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wsr Space Group Transition Driven by Temperature and Related to Monomer-Dimer Transition in Solution: The Case of Monomeric Tim of Trypanosoma Brucei Brucei
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): I33 H57
• Binding residue (residue number reindexed from 1): I32 H56
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N11 K13 H95 E97 E167 G173 S213
• Catalytic site (residue number reindexed from 1): N10 K12 H87 E89 E159 G165 S205
• Enzyme Commision number: 5.3.1.1: triose-phosphate isomerase.

Gene Ontology

Molecular Function

• GO:0004807 triose-phosphate isomerase activity
• GO:0016853 isomerase activity

Biological Process

• GO:0006094 gluconeogenesis
• GO:0006096 glycolytic process
• GO:0019563 glycerol catabolic process
• GO:0046166 glyceraldehyde-3-phosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0020015 glycosome

External links

• PDB: RCSB:2wsr, PDBe:2wsr, PDBj:2wsr
• PDBsum: 2wsr
• UniProt: P04789|TPIS_TRYBB Triosephosphate isomerase, glycosomal