Structure of PDB 2pp9 Chain A Binding Site BS05

Receptor Information
>2pp9 Chain A (length=336) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVID
DAGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLMHNIDFHAAT
GALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGMNGA
IMVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAY
EDTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTR
PHLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAY
VNHNLIEAFELGAAAHFKVTGEWNDDLMTSVLAPSG
Ligand information
Ligand IDNO3
InChIInChI=1S/NO3/c2-1(3)4/q-1
InChIKeyNHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+]([O-])=O
OpenEye OEToolkits 1.5.0[N+](=O)([O-])[O-]
FormulaN O3
NameNITRATE ION
ChEMBLCHEMBL186200
DrugBankDB14049
ZINC
PDB chain2pp9 Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pp9 Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I257 H306
Binding residue
(residue number reindexed from 1)		I254 H303
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H95 D98 H100 H135 C136 H145 M150 H255 E279 T280 H306
Catalytic site (residue number reindexed from 1) H92 D95 H97 H132 C133 H142 M147 H252 E276 T277 H303
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050421 nitrite reductase (NO-forming) activity
Biological Process
GO:0019333 denitrification pathway
GO:0042128 nitrate assimilation
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2pp9, PDBe:2pp9, PDBj:2pp9
PDBsum2pp9
PubMed18358002
UniProtP38501|NIR_ALCFA Copper-containing nitrite reductase (Gene Name=nirK)

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