Structure of PDB 6en6 Chain D

Receptor sequence

>6en6D (length=614) Species: 9606 (Homo sapiens)

LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSQMSRIYSTAKVCLPQCWSLDPDLTNILASSRSYA
MLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNS
PTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLG
DMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSL
ELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMD
QLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEH
LHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRT
PPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFVS
FVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQE
VLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLP
DNYPEGIDLVTDEA

3D structure

• PDB: 6en6 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: 1.8 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): H327 A328 H357 E358 H361 E385 H487 Y497
• 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	H357 H361 E385
BS02	BJ2	D	Q259 H331 A332 S333 A334 H361 E362 H365 Y369 E389 K489 H491 Y498 Y501	Q255 H327 A328 S329 A330 H357 E358 H361 Y365 E385 K485 H487 Y494 Y497	MOAD: Ki=11.45nM
BS03	MG	D	E262 N263 D354	E258 N259 D350

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:6en6, PDBe:6en6, PDBj:6en6
• PDBsum: 6en6
• PubMed: 29206036
• UniProt: P12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)