Structure of PDB 6en5 Chain D

Receptor sequence

>6en5D (length=614) Species: 9606 (Homo sapiens)

LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSQMSRIYSTAKVCLPATCWSLDPDLTNILASSRSY
AMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYN
SPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLL
GDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTS
LELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTM
DQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPE
HLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGR
TPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFV
SFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQ
EVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPL
PDNYPEGIDLVTDE

3D structure

• PDB: 6en5 The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
• Chain: D
• Resolution: 1.75 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H331 A332 H361 E362 H365 E389 H491 Y501
• Catalytic site (residue number reindexed from 1): H328 A329 H358 E359 H362 E386 H488 Y498
• 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	ZN	D	H361 H365 E389	H358 H362 E386
BS02	BJ2	D	Q259 H331 A332 S333 A334 H361 E362 H365 Y369 E389 K489 H491 Y498 Y501	Q256 H328 A329 S330 A331 H358 E359 H362 Y366 E386 K486 H488 Y495 Y498	MOAD: Ki=11.45nM
BS03	MG	D	E262 N263 D354	E259 N260 D351

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:6en5, PDBe:6en5, PDBj:6en5
• PDBsum: 6en5
• PubMed: 29206036
• UniProt: P12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)