Structure of PDB 6zpu Chain A Binding Site BS01

Receptor Information
>6zpu Chain A (length=587) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIAQ
HTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILL
DMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAG
RAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQEL
QPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLV
VPFDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKSMLEKPTD
GREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKD
LPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGGSDEHDINF
LMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLC
PPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGP
LHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSASAMLSYF
KPLLDWLRTENELHGEKLGWPQYNWTPNSARSEGPLP
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 chain6zpu Chain A Residue 716 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zpu Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H383 H387 E411
Binding residue
(residue number reindexed from 1)		H337 H341 E365
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) H307 A308 H337 E338 H341 E365 H467 Y477
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:6zpu, PDBe:6zpu, PDBj:6zpu
PDBsum6zpu
PubMed33067882
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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