Structure of PDB 4njr Chain A Binding Site BS03

Receptor Information
>4njr Chain A (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 A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		H82 D236 E265 E266 H401
Binding residue
(residue number reindexed from 1)		H82 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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