Structure of PDB 1o8a Chain A Binding Site BS02

Receptor Information
>1o8a Chain A (length=574) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEAEASKFVEEYDRTSQVVWNEYAEANWNYNTNITTETSKILLQKNMQIA
NHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKIL
LDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKA
GRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQE
LQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDL
VVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWNKS
MLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQ
YFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSDEHD
INFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQ
GLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGH
TGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPNMSASAML
SYFKPLLDWLRTENELHGEKLGWP
Ligand information
Ligand IDNXA
InChIInChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyJCVPWRQVQNVNGU-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)NC(=O)O
ACDLabs 10.04O=C(O)C(NC(=O)O)C
CACTVS 3.341C[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)NC(=O)O
FormulaC4 H7 N O4
NameN-CARBOXYALANINE
ChEMBL
DrugBank
ZINC
PDB chain1o8a Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o8a Crystal structure of the human angiotensin-converting enzyme-lisinopril complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q281 H353 K511 H513 Y520 Y523
Binding residue
(residue number reindexed from 1)		Q242 H314 K468 H470 Y477 Y480
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H353 A354 H383 E384 H387 E411 H513 Y523
Catalytic site (residue number reindexed from 1) H314 A315 H344 E345 H348 E372 H470 Y480
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:1o8a, PDBe:1o8a, PDBj:1o8a
PDBsum1o8a
PubMed12540854
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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