Structure of PDB 6f9u Chain A

Receptor sequence

>6f9uA (length=586) Species: 9606 (Homo sapiens)

DEAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIA
QHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKIL
LDMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKA
GRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQE
LQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDL
VVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKS
MLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQ
YFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGGS
DEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLR
LKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQ
AAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSA
SAMLSYFKPLLDWLRTENELHGEKLGWPQYNWTPNS

3D structure

• PDB: 6f9u Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
• Chain: A
• Resolution: 1.9 Å

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 H474 Y484
• Enzyme Commision number: 3.4.15.1: peptidyl-dipeptidase A.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FUC	A	S45 E49	S6 E10
BS02	ZN	A	H383 H387 E411	H344 H348 E372
BS03	D0W	A	Q281 H353 A354 S355 A356 H383 E384 H387 E411 K511 H513 Y520 Y523	Q242 H314 A315 S316 A317 H344 E345 H348 E372 K472 H474 Y481 Y484	PDBbind-CN: -logKd/Ki=5.13,Ki=7.4uM BindingDB: Ki=7400nM

Gene Ontology

Molecular Function

• GO:0008237 metallopeptidase activity
• GO:0008241 peptidyl-dipeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6f9u, PDBe:6f9u, PDBj:6f9u
• PDBsum: 6f9u
• PubMed: 29476645
• UniProt: P12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)