Structure of PDB 2b4r Chain P Binding Site BS02

Receptor Information
>2b4r Chain P (length=334) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKLGINGFGRIGRLVFRAAFGRKDIEVVAINDPFMDLNHLCYLLKYDSV
HGQFPCEVTHADGFLLIGEKKVSVFAEKDPSQIPWGKCQVDVVCESTGVF
LTKELASSHLKGGAKKVIMSAPPKDDTPIYVMGINHHQYDTKQLIVSNAS
CTTNCLAPLAKVINDRFGIVEGLMTTVHASTANQLVVDGPSKGGKDWRAG
RCALSNIIPASTGAAKAVGKVLPELNGKLTGVAFRVPIGTVSVVDLVCRL
QKPAKYEEVALEIKKAAEGPLKGILGYTEDEVVSQDFVHDNRSSIFDMKA
GLALNDNFFKLVSWYDNEWGYSNRVLDLAVHITT
Ligand information
Ligand IDAES
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
FormulaC8 H10 F N O2 S
Name4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBLCHEMBL1096339
DrugBankDB07347
ZINCZINC000008034834
PDB chain2b4r Chain P Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b4r Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Resolution2.25 Å
Binding residue
(original residue number in PDB)		T183 N185
Binding residue
(residue number reindexed from 1)		T181 N183
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic 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:2b4r, PDBe:2b4r, PDBj:2b4r
PDBsum2b4r
PubMed16345073
UniProtQ8T6B1

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