Structure of PDB 3uwz Chain A Binding Site BS01

Receptor Information
>3uwz Chain A (length=254) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMRTPIIAGNWKMNKTVQEAKDFVNALPTLPDSKEVESVICAPAIQLDAL
TTAVKEGKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSE
RRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGKANDVVGEQV
KKAVAGLSEDQLKSVVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADL
SSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQLL
EGAK
Ligand information
Ligand IDG2H
InChIInChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKeyDHCLVCXQIBBOPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(CO)OP(=O)(O)O)O
CACTVS 3.341OCC(CO)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(CO)CO
FormulaC3 H9 O6 P
Name2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE;
GLYCEROL-2-PHOSPHATE
ChEMBLCHEMBL1232903
DrugBankDB01779
ZINCZINC000003830897
PDB chain3uwz Chain A Residue 254 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uwz Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K11 G213 S215 G236 G237
Binding residue
(residue number reindexed from 1)		K12 G214 S216 G237 G238
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N9 K11 H97 E99 E169 S215
Catalytic site (residue number reindexed from 1) N10 K12 H98 E100 E170 S216
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uwz, PDBe:3uwz, PDBj:3uwz
PDBsum3uwz
PubMed22813930
UniProtQ6GIL6|TPIS_STAAR Triosephosphate isomerase (Gene Name=tpiA)

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