Structure of PDB 3zqz Chain A Binding Site BS02

Receptor Information
>3zqz Chain A (length=596) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKEEIQAKEYLENLNKELAKRTNVETEAAWAYGSNITDENEKKKNEISAE
LAKFMKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELLD
TLSAMESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWRE
FYDKAGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQLE
DIFADIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQWS
EIADIVSPFPEKPLVDVSAEMEKQGYTPLKMFQMGDDFFTSMNLTKLPQD
FWDKSIIEKPTDGRDLVCHASAWDFYLTDDVRIKQCTRVTQDQLFTVHHE
LGHIQYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLLK
DYVRDDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNCA
FWKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQFY
KSACIKAGQYDPDNVELPLDNCDIYGSAAAGAAFHNMLSMGASKPWPDAL
EAFNGERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWTTSNKCVS
Ligand information
Ligand IDSLC
InChIInChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1
InChIKeyYLSOIJMYGUURIT-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)[C@@H]1CCCN1C(=O)C(=C)C[SeH]
CACTVS 3.370OC(=O)[CH]1CCCN1C(=O)C(=C)C[SeH]
OpenEye OEToolkits 1.7.0C=C(C[SeH])C(=O)N1CCCC1C(=O)O
ACDLabs 12.01O=C(O)C1N(C(=O)\\C(=C)C[SeH])CCC1
FormulaC9 H13 N O3 Se
NameSELENO-CAPTOPRIL;
1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE
ChEMBL
DrugBank
ZINC
PDB chain3zqz Chain A Residue 1010 [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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PDB3zqz Structural Characterization of Angiotensin I- Converting Enzyme in Complex with a Selenium Analogue of Captopril.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Q265 H337 A338 H367 E368 K495 H497 Y504 Y507
Binding residue
(residue number reindexed from 1)		Q247 H319 A320 H349 E350 K477 H479 Y486 Y489
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) H319 A320 H349 E350 H353 E377 H479 Y489
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:3zqz, PDBe:3zqz, PDBj:3zqz
PDBsum3zqz
PubMed21810173
UniProtQ10714|ACE_DROME Angiotensin-converting enzyme (Gene Name=Ance)

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