Structure of PDB 7z70 Chain A Binding Site BS02

Receptor Information
>7z70 Chain A (length=575) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIA
QHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKIL
LDMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKA
GRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQE
LQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDL
VVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKS
MLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQ
YFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSSDEH
DINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKY
QGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAG
HTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSASAM
LSYFKPLLDWLRTENELHGEKLGWP
Ligand information
Ligand IDKS8
InChIInChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
InChIKeyWOIWWYDXDVSWAZ-RTWAWAEBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O
CACTVS 3.385OC(=O)[C@@H]1C[C@H](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
CACTVS 3.385OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCP(=O)(CC(=O)N2CC(CC2C(=O)O)C3CCCCC3)O
FormulaC23 H34 N O5 P
Namefosinoprilat
ChEMBLCHEMBL581
DrugBankDB14207
ZINCZINC000004213382
PDB chain7z70 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7z70 Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H353 A354 S355 W357 H383 E384 K511 H513 Y520 Y523
Binding residue
(residue number reindexed from 1)		H314 A315 S316 W318 H344 E345 K469 H471 Y478 Y481
Annotation score1
Enzymatic activity
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:7z70, PDBe:7z70, PDBj:7z70
PDBsum7z70
PubMed35653492
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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