Structure of PDB 5a2r Chain A Binding Site BS01

Receptor Information
>5a2r Chain A (length=597) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVKEEIQAKEYLENLNKELAKRTNVETEAAWAYGSNITDENEKKKNEISA
ELAKFMKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELL
DTLSAMESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWR
EFYDKAGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQL
EDIFADIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQW
SEIADIVSPFPEKPLVDVSAEMEKQGYTPLKMFQMGDDFFTSMNLTKLPQ
DFWDKSIIEKPTDGRDLVCHASAWDFYLTDDVRIKQCTRVTQDQLFTVHH
ELGHIQYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLL
KDYVRDDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNC
AFWKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQF
YKSACIKAGQYDPDNVELPLDNCDIYGSAAAGAAFHNMLSMGASKPWPDA
LEAFNGERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWTTSNKCVS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5a2r Chain A Residue 1616 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a2r A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H367 H371 E395
Binding residue
(residue number reindexed from 1)		H350 H354 E378
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H337 A338 H367 E368 H371 E395 H497 Y507
Catalytic site (residue number reindexed from 1) H320 A321 H350 E351 H354 E378 H480 Y490
Enzyme Commision number 3.4.15.1: peptidyl-dipeptidase A.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008241 peptidyl-dipeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0007552 metamorphosis
GO:0009609 response to symbiotic bacterium
GO:0016486 peptide hormone processing
GO:0019953 sexual reproduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5a2r, PDBe:5a2r, PDBj:5a2r
PDBsum5a2r
PubMed26380810
UniProtQ10714|ACE_DROME Angiotensin-converting enzyme (Gene Name=Ance)

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