Structure of PDB 5eyw Chain B Binding Site BS01

Receptor Information

>5eyw Chain B (length=244) Species: 6689 (Penaeus vannamei)

RKFFVGGNWKMNGDKAAIDGIISFMKTGPLSPNTEVVVGCPQCYLMYTRE
HMPANIGIAAQNCYKVAKGAFTGEISPAMVKDCGCEWVILGHSERRNVFG
EPDQLISEKVGHALEAGLKVIPCIGEKLEDREGNRTQEVVFAQMKALLPN
ISDWSRVVLAYEPVWAIGTGKTASPEQAQEVHADLRQWLRDNVNAEVAES
TRIIYGGSVSAGNCQELAKKGDIDGFLVGGAALKPDFVQIINAR

Ligand information

• Ligand ID: PGA
• InChI: InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
• InChIKey: ASCFNMCAHFUBCO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: OC(=O)CO[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C(C(=O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC(=O)O
• Formula: C2 H5 O6 P
• Name: 2-PHOSPHOGLYCOLIC ACID
• ChEMBL: CHEMBL47181
• DrugBank: DB02726
• ZINC: ZINC000003869735
• PDB chain: 5eyw Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5eyw Structural insights from a novel invertebrate triosephosphate isomerase from Litopenaeus vannamei.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): K14 H96 E166 I171 G172 G211 S212 L231 G233 G234
• Binding residue (residue number reindexed from 1): K10 H92 E162 I167 G168 G207 S208 L227 G229 G230
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): N12 K14 H96 E98 E166 G172 S212
• Catalytic site (residue number reindexed from 1): N8 K10 H92 E94 E162 G168 S208
• 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:0005829 cytosol

External links

• PDB: RCSB:5eyw, PDBe:5eyw, PDBj:5eyw
• PDBsum: 5eyw
• PubMed: 27614148
• UniProt: K0E682