Structure of PDB 4bxk Chain B

Receptor sequence

>4bxkB (length=607) Species: 9606 (Homo sapiens)

LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSQMSRIYSTAKVCLTATCWSLDPDLTNILASSRSY
AMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYN
SPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLL
GDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTS
LELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTM
DQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPE
HLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGR
TPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFV
SFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQ
EVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPL
PDNYPEG

3D structure

• PDB: 4bxk Fragment-Based Design for the Development of N-Domain Selective Angiotensin-1 Converting Enzyme Inhibitors
• Chain: B
• Resolution: 2.2 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	1IU	B	Q259 H331 A332 S333 A334 H361 E362 H365 Y369 H388 K489 F490 H491 T496 Y498 Y501	Q256 H328 A329 S330 A331 H358 E359 H362 Y366 H385 K486 F487 H488 T493 Y495 Y498	MOAD: Ki=11.21nM
BS02	ZN	B	H361 H365 E389	H358 H362 E386

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:4bxk, PDBe:4bxk, PDBj:4bxk
• PDBsum: 4bxk
• PubMed: 24015848
• UniProt: P12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)