Structure of PDB 2x91 Chain A Binding Site BS02

Receptor Information
>2x91 Chain A (length=595) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEEIQAKEYLENLNKELAKRTNVETEAAWAYGSNITDENEKKKNEISAEL
AKFMKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELLDT
LSAMESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWREF
YDKAGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQLED
IFADIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQWSE
IADIVSPFPEKPLVDVSAEMEKQGYTPLKMFQMGDDFFTSMNLTKLPQDF
WDKSIIEKPTDGRDLVCHASAWDFYLTDDVRIKQCTRVTQDQLFTVHHEL
GHIQYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLLKD
YVRDDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNCAF
WKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQFYK
SACIKAGQYDPDNVELPLDNCDIYGSAAAGAAFHNMLSMGASKPWPDALE
AFNGERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWTTSNKCVS
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 chain2x91 Chain A Residue 1619 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x91 High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		H367 H371 E395
Binding residue
(residue number reindexed from 1)		H348 H352 E376
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) H318 A319 H348 E349 H352 E376 H478 Y488
Enzyme Commision number 3.4.15.1: peptidyl-dipeptidase A.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008241 peptidyl-dipeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2x91, PDBe:2x91, PDBj:2x91
PDBsum2x91
PubMed20488190
UniProtQ10714|ACE_DROME Angiotensin-converting enzyme (Gene Name=Ance)

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