Structure of PDB 2xq0 Chain A Binding Site BS01

Receptor Information
>2xq0 Chain A (length=625) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPLSIEQRRPSRSPEYDQSTLSNYKDFAVLHTDLNLSVSFEKSAISGSV
TFQLKKLHNKSDELHLDTSYLDVQEVHIDGSKADFQIEQRKEPLGSRLVI
NNASCNDNFTLNIQFRTTDKCTALQWLNSKQTKGGKPYVFSQLEAIHARS
LFPCFDTPSVKSTFTASIESPLPVVFSGIRIEDTNIYRFEQKVPIPAYLI
GIASGDLSSAPIGPRSTVYTEPFRLKDCQWEFENDVEKFIQTAEKIIFEY
EWGTYDILVNVDSYPYGGMESPNMTFATPTLLAHDRSNIDVIAHELAHSW
SGNLVTNCSWNHFWLNEGWTVYLERRIIGAIHGEPTRHFSALIGWSDLQN
SIDSMKDPERFSTLVQNLNDNTDPDDAFSTVPYEKGFNLLFHLETILGGK
AEFDPFIRHYFKKFAKKSLDTFQFLDTLYEFYPEKKEILDSVDWETWLYK
PGMPPRPHFITALADNVYQLADKWVEMAQHLKTTEDFRSEFNAIDIKDFN
SNQLVLFLETLTQNGHSNKKPKDFDWAKFPVASRALLDIYQDNIVKSQNA
EVVFKMFKFQIFAKLQEEYKHLADWLGTVGRMKFVRPGYRLLNSVDRRLA
LATFDKFKDTYHPICKALVKQDLKL
Ligand information
Ligand IDBES
InChIInChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
InChIKeyVGGGPCQERPFHOB-RDBSUJKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O
CACTVS 3.341CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
CACTVS 3.341CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O
FormulaC16 H24 N2 O4
Name2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID;
BESTATIN
ChEMBLCHEMBL29292
DrugBankDB03424
ZINCZINC000001542895
PDB chain2xq0 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2xq0 A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding.
Resolution1.955 Å
Binding residue
(original residue number in PDB)		E186 Y312 G313 G314 E316 H340 H344 E363 Y429
Binding residue
(residue number reindexed from 1)		E144 Y266 G267 G268 E270 H294 H298 E317 Y383
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E316 H340 E341 H344 E363 D421 Y429
Catalytic site (residue number reindexed from 1) E270 H294 E295 H298 E317 D375 Y383
Enzyme Commision number 3.3.2.10: soluble epoxide hydrolase.
3.4.11.-
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0004301 epoxide hydrolase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process
GO:0043171 peptide catabolic process
GO:0044255 cellular lipid metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2xq0, PDBe:2xq0, PDBj:2xq0
PDBsum2xq0
PubMed21146536
UniProtQ10740|LKHA4_YEAST Leucine aminopeptidase 2 (Gene Name=LAP2)

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