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Structure of PDB 5i3h Chain B Binding Site BS01

Receptor Information >5i3h Chain B (length=249) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SKPQPIAAANWKCNGSQQSLSELIDLFNSTSINHDVQCVVASTFVHLAMT KERLSHPKFVIAAQNAIAKSGAFTGEVSLPILKDFGVNWIVLGHSERRAY YGETNEIVADKVAAAVASGFMVIACIGETLQERESGRTAVVVLTQIAAIA KKLKKADWAKVVIAYEPVWAAGTGKVATPQQAQEAHALIRSWVSSKIGAD VAGELRILYGGSVNGKNARTLYQQRDVNGFAVGGASLKPEFVDIIKATQ

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 Software 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 5i3h Chain B Residue 301 [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 5i3h Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase. Resolution 2.25 Å Binding residue (original residue number in PDB) K13 H95 E167 A172 G173 S213 G234 G235 Binding residue (residue number reindexed from 1) K12 H94 E166 A171 G172 S212 G233 G234 Annotation score 2 Binding affinity MOAD: Ki=120uM

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 H94 E96 E166 G172 S212 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

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