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Structure of PDB 1hg3 Chain C Binding Site BS01

Receptor Information >1hg3 Chain C (length=224) Species: 2262 (Pyrococcus woesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AKLKEPIIAINFKTYIEATGKRALEIAKAAEKVYKETGVTIVVAPQLVDL RMIAESVEIPVFAQHIDPIKPGSHTGHVLPEAVKEAGAVGTLLNHSENRM ILADLEAAIRRAEEVGLMTMVCSNNPAVSAAVAALNPDYVAVEPPELIGT GIPVSKAKPEVITNTVELVKKVNPEVKVLCGAGISTGEDVKKAIELGTVG VLLASGVTKAKDPEKAIWDLVSGI

Ligand information Ligand ID 3PP InChI InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) InChIKey NLBSQHGCGGFVJW-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 OC(=O)CC[P](O)(O)=O ACDLabs 10.04 O=C(O)CCP(=O)(O)O OpenEye OEToolkits 1.5.0 C(CP(=O)(O)O)C(=O)O Formula C3 H7 O5 P Name 3-PHOSPHONOPROPANOIC ACID; 2-CARBOXYETHYLPHOSPHONIC ACID ChEMBL CHEMBL1088324 DrugBank DB03379 ZINC ZINC000002008858 PDB chain 1hg3 Chain C Residue 1226 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1hg3 Tiny Tim: A Small, Tetrameric, Hyperthermostable Triosephosphate Isomerase Resolution 2.7 Å Binding residue (original residue number in PDB) K14 H96 E144 I149 A183 L204 A205 S206 Binding residue (residue number reindexed from 1) K13 H95 E143 I148 A182 L203 A204 S205 Annotation score 1

Enzymatic activity 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

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