Structure of PDB 2xpy Chain A Binding Site BS02

Receptor Information
>2xpy Chain A (length=628) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPLSIEQRRPSRSPEYDQSTLSNYKDFAVLHTDLNLSVSFEKSAISGSV
TFQLKKLHEGKNKSDELHLDTSYLDVQEVHIDGSKADFQIEQRKEPLGSR
LVINNASCNDNFTLNIQFRTTDKCTALQWLNSKQTKGGKPYVFSQLEAIH
ARSLFPCFDTPSVKSTFTASIESPLPVVFSGIRIEDTNIYRFEQKVPIPA
YLIGIASGDLSSAPIGPRSTVYTEPFRLKDCQWEFENDVEKFIQTAEKII
FEYEWGTYDILVNVDSYPYGGMESPNMTFATPTLIAHDRSNIDVIAHELA
HSWSGNLVTNCSWNHFWLNEGWTVYLERRIIGAIHGEPTRHFSALIGWSD
LQNSIDSMKDPERFSTLVQNLNDNTDPDDAFSTVPYEKGFNLLFHLETIL
GGKAEFDPFIRHYFKKFAKKSLDTFQFLDTLYEFYPEKKEILDSVDWETW
LYKPGMPPRPHFITALADNVYQLADKWVEMAQHLKTTEDFRSEFNAIDIK
DFNSNQLVLFLETLTQNGHSNKKPKDFDWAKFPVASRALLDIYQDNIVKS
QNAEVVFKMFKFQIFAKLQEEYKHLADWLGTVGRMKFVRPGYRLLNSVDR
RLALATFDKFKDTYHPICKALVKQDLGL
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain2xpy Chain A Residue 1674 [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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PDB2xpy A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		H97 C147 D149
Binding residue
(residue number reindexed from 1)		H58 C108 D110
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) E273 H297 E298 H301 E320 D378 Y386
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2xpy, PDBe:2xpy, PDBj:2xpy
PDBsum2xpy
PubMed21146536
UniProtQ10740|LKHA4_YEAST Leucine aminopeptidase 2 (Gene Name=LAP2)

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