Structure of PDB 3i3f Chain B Binding Site BS01

Receptor Information
>3i3f Chain B (length=128) Species: 184922 (Giardia lamblia ATCC 50803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPTFLVCPDVVKFENVGQIAVVNGMVYLGGSVGIDKSGTLHKGLEEQTRQ
TFDNIRKCLEYANSGLDYIVSLNIFLSTSLSDSEEARFNELYREVFCVPA
TRPCRCCVRAQLQEGLLVEVVNVVAAQK
Ligand information
Ligand IDLEA
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCC
OpenEye OEToolkits 1.7.6CCCCC(=O)O
CACTVS 3.370CCCCC(O)=O
FormulaC5 H10 O2
NamePENTANOIC ACID;
VALERIC ACID
ChEMBLCHEMBL268736
DrugBankDB02406
ZINCZINC000031500905
PDB chain3i3f Chain A Residue 142 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3i3f Hypothetical protein from Giardia lamblia GL50803_14299
Resolution1.35 Å
Binding residue
(original residue number in PDB)		F26 V29 Q126
Binding residue
(residue number reindexed from 1)		F13 V16 Q113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links