Structure of PDB 6en6 Chain B

Receptor sequence

>6en6B (length=605) Species: 9606 (Homo sapiens)

LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSQMSRIYSTAKVCLCWSLDPDLTNILASSRSYAML
LFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPT
FEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDM
WAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLEL
SPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQL
STVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLH
KIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPP
SRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFVSFV
LQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVL
KDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDN
YPEGI

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: B
• 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): H325 A326 H355 E356 H359 E383 H485 Y495
• 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	B	H361 H365 E389	H355 H359 E383
BS02	BJ2	B	Q259 H331 A332 S333 A334 H361 E362 H365 Y369 E389 K489 H491 Y498 Y501	Q253 H325 A326 S327 A328 H355 E356 H359 Y363 E383 K483 H485 Y492 Y495	MOAD: Ki=11.45nM
BS03	MG	B	E262 N263 D354	E256 N257 D348

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)