Structure of PDB 1a16 Chain A Binding Site BS01

Receptor Information
>1a16 Chain A (length=439) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFW
YFTGFNEPEAVLVLIKSDDTHNHSVLFNRVRDLTAEIWFGRRLGQDAAPE
KLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSLEKLRKG
SRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEK
CRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEM
RDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSL
RLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHG
LSHWLGLDVHDVGVYGQDRSRILEPGMVLTVEPGLYIAPDAEVPEQYRGI
GIRIEDDIVITETGNENLTASVVKKPEEIEALMVAARKQ
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 chain1a16 Chain A Residue 441 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a16 Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H243 H350 E383 R404
Binding residue
(residue number reindexed from 1)		H242 H349 E382 R403
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D38 H243 D260 D271 H350 H354 H361 E383 Y387 R404 E406
Catalytic site (residue number reindexed from 1) D38 H242 D259 D270 H349 H353 H360 E382 Y386 R403 E405
Enzyme Commision number 3.4.11.9: Xaa-Pro aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008235 metalloexopeptidase activity
GO:0008237 metallopeptidase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1a16, PDBe:1a16, PDBj:1a16
PDBsum1a16
PubMed9520390
UniProtP15034|AMPP_ECOLI Xaa-Pro aminopeptidase (Gene Name=pepP)

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