Structure of PDB 5wze Chain A Binding Site BS01

Receptor Information
>5wze Chain A (length=442) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRIPKSEYARRRKALMAQMEPNSIAILPAAPMYIRNRDVEHVYRQDSDF
QYLTGFPEPEAVMALIPGRAHGEYVLFCRERDPERELWDGLRAGQDGAIG
QYGADDAFPIGDIDDILPGLIEGRDRVYYALGANPDFDRRLMDWINVIRS
KARQGAQPPNEFVALDHLLHDQRLYKSANEVKVMRYAAEVSARAHIRAME
VCRPGLFEYHLEAELEYEFRKGGAKMPAYGSIVAAGRNACILHYRENDAA
IKDGDLILIDAGCEIDCYASDITRTFPANGRFSPEQKAIYELVLEANMAA
FDYIAPGRHWNEAHEATVRVITAGLVRLGLLEGDVDELIAHEAYKAFYMH
RAGHWLGMDVHDVGEYRVGGEWRVLEPGMAMTVEPGIYIAPDNTTVAKKW
RGIGVRIEDDVVVTRNGCEVLTNGVPKTVAEIEALMAAAKSE
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain5wze Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wze Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Resolution1.783 Å
Binding residue
(original residue number in PDB)		H243 H350 H361
Binding residue
(residue number reindexed from 1)		H243 H350 H361
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008237 metallopeptidase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wze, PDBe:5wze, PDBj:5wze
PDBsum5wze
PubMed29259588
UniProtQ9HTW6

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