Structure of PDB 2iux Chain A Binding Site BS04

Receptor Information
>2iux Chain A (length=577) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEAEASKFVEEYDRTSQVVWNEYAEANWNYNTNITTETSKILLQKNMQIA
NHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKIL
LDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKA
GRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQE
LQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDL
VVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKS
MLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQ
YFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSGGSD
EHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRL
KYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQA
AGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSAS
AMLSYFKPLLDWLRTENELHGEKLGWP
Ligand information
Ligand IDNXA
InChIInChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyJCVPWRQVQNVNGU-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)NC(=O)O
ACDLabs 10.04O=C(O)C(NC(=O)O)C
CACTVS 3.341C[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)NC(=O)O
FormulaC4 H7 N O4
NameN-CARBOXYALANINE
ChEMBL
DrugBank
ZINC
PDB chain2iux Chain A Residue 1624 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iux Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H353 H513 Y523
Binding residue
(residue number reindexed from 1)		H314 H473 Y483
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H353 A354 H383 E384 H387 E411 H513 Y523
Catalytic site (residue number reindexed from 1) H314 A315 H344 E345 H348 E372 H473 Y483
Enzyme Commision number 3.4.15.1: peptidyl-dipeptidase A.
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:2iux, PDBe:2iux, PDBj:2iux
PDBsum2iux
PubMed17042482
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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