Structure of PDB 4njr Chain B Binding Site BS03

Receptor Information
>4njr Chain B (length=425) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRAELNQGLIDFLKASPTPFHATASLARRLEAAGYRRLDERDAWHTETGG
RYYVTRNDSSLIAIRLGRRSPLESGFRLVGAHTDSPCLRVKPNPEIARNG
FLQLGVEVYGGALFAPWFDRDLSLAGRVTFRANGKLESRLVDFRKAIAVI
PNLAIHLNRAANEGWPINAQNELPPIIAQLAPGEAADFRLLLDEQLLREH
GITADVVLDYELSFYDTQSAAVVGLNDEFIAGARLDNLLSCHAGLEALLN
AEGDENCILVCTDHEEVGSCSHCGADGPFLEQVLRRLLPEGDAFSRAIQR
SLLVSADNAHGVHPNYADRHDANHGPALNGGPVIKINSNQRYATNSETAG
FFRHLCQDSEVPVQSFVTRSDMGIGPITASQVGVRTVDIGLPTFAMHSIR
ELAGSHDLAHLVKVLGAFYASSELP
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain4njr Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4njr Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D236 E265 E266 H401
Binding residue
(residue number reindexed from 1)		D236 E265 E266 H397
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.11.-
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4njr, PDBe:4njr, PDBj:4njr
PDBsum4njr
PubMed24704201
UniProtQ9HYZ3|APEB_PSEAE Probable M18 family aminopeptidase 2 (Gene Name=apeB)

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