Structure of PDB 3bkl Chain A

Receptor sequence
>3bklA (length=582) Species: 9606 (Homo sapiens) [Search protein sequence]
DEAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIA
QHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKIL
LDMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKA
GRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQE
LQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDL
VVPFPSASMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKSM
LEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQY
FMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSGGSDEH
DINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKY
QGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAG
HTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSASAM
LSYFKPLLDWLRTENELHGEKLGWPQYNWTPN
3D structure
PDB3bkl Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme
ChainA
Resolution2.18 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H353 A354 H383 E384 H387 E411 H513 Y523
Catalytic site (residue number reindexed from 1) H313 A314 H343 E344 H347 E371 H471 Y481
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 H343 H347 E371
BS03 KAW A H353 A354 S355 A356 H383 E384 H387 F391 E411 D415 F457 K511 F512 H513 V518 Y520 Y523 H313 A314 S315 A316 H343 E344 H347 F351 E371 D375 F415 K469 F470 H471 V476 Y478 Y481 MOAD: Ki=0.679uM
PDBbind-CN: -logKd/Ki=6.17,Ki=0.679uM
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008241 peptidyl-dipeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bkl, PDBe:3bkl, PDBj:3bkl
PDBsum3bkl
PubMed18457420
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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