Structure of PDB 4ufa Chain B Binding Site BS02

Receptor Information
>4ufa Chain B (length=607) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSQMSRIYSTAKVCLTATCWSLDPDLTNILASSRSY
AMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYN
SPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLL
GDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTS
LELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTM
DQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPE
HLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGR
TPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFV
SFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQ
EVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPL
PDNYPEG
Ligand information
Ligand IDSAC
InChIInChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
InChIKeyJJIHLJJYMXLCOY-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CO)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)NC(CO)C(=O)O
CACTVS 3.341CC(=O)N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)C)CO
CACTVS 3.341CC(=O)N[CH](CO)C(O)=O
FormulaC5 H9 N O4
NameN-ACETYL-SERINE
ChEMBL
DrugBankDB02340
ZINCZINC000000158173
PDB chain4ufa Chain B Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ufa Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H331 A332 H361 E362 H491 Y501
Binding residue
(residue number reindexed from 1)		H328 A329 H358 E359 H488 Y498
Annotation score2
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.
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:4ufa, PDBe:4ufa, PDBj:4ufa
PDBsum4ufa
PubMed26403559
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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