Structure of PDB 5gv4 Chain A Binding Site BS01

Receptor Information
>5gv4 Chain A (length=245) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARKYFVAANWKCNGTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDHT
RKLLQSKFSTGIQNVSKNGSCTGEVSAEIAKDLNIEYVIIGHFERRKYFH
ETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVDL
IDNFDNVILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQANQ
IRILYGGSVNTENCSSLIQQEDIDGFLVGNASLKESFVDIIKSAM
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain5gv4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gv4 Y74COX MUTANT OF PLASMODIUM FALCIPARUM TRIOSEPHOSPHATE ISOMERASE
Resolution2.09 Å
Binding residue
(original residue number in PDB)		K12 H95 E165 I170 G171 G210 S211 L230 G232 N233
Binding residue
(residue number reindexed from 1)		K11 H92 E162 I167 G168 G207 S208 L227 G229 N230
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N10 K12 H95 E97 E165 G171 S211
Catalytic site (residue number reindexed from 1) N9 K11 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
GO:0042802 identical protein binding
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5gv4, PDBe:5gv4, PDBj:5gv4
PDBsum5gv4
PubMed
UniProtQ07412|TPIS_PLAFA Triosephosphate isomerase (Gene Name=TPI)

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