Structure of PDB 1aom Chain B Binding Site BS03

Receptor Information
>1aom Chain B (length=559) Species: 82367 (Paracoccus pantotrophus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAAALEDHKTRTDNRYEPSLDNLAQQDVAAPGAPEGVTALSDAQYNEAN
KIYFERCAGCHGVLRKGATGKALTPDLTRDLGFDYLQSFITYASPAGMPN
WGTSGELSAEQVDLMANYLLLDPAAPPEFGMKEMRESWKVHVAPEDRPTQ
QMNDWDLENLFSVTLRDAGQIALIDGSTYEIKTVLDTGYAVHISRLSASG
RYLFVIGRDGKVNMIDLWMKEPTTVAEIKIGSEARSIETSKMEGWEDKYA
IAGAYWPPQYVIMDGETLEPKKIQSTRGMTYDEQEYHPEPRVAAILASHY
RPEFIVNVKETGKILLVDYTDLNNLKTTEISAERFLHDGGLDGSHRYFIT
AANARNKLVVIDTKEGKLVAIEDTGGQTPHPGRGANFVHPTFGPVWATSH
MGDDSVALIGTDPEGHPDNAWKILDSFPALGGGSLFIKTHPNSQYLYVDA
TLNPEAEISGSVAVFDIKAMTGDGSDPEFKTLPIAEWAGITEGQPRVVQG
EFNKDGTEVWFSVWNGKDQESALVVVDDKTLELKHVIKDERLVTPTGKFN
VYNTMTDTY
Ligand information
Ligand IDNO
InChIInChI=1S/HNO/c1-2/h1H
InChIKeyODUCDPQEXGNKDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		[N]=O
FormulaN O
NameNITRIC OXIDE;
Nitrogen monoxide
ChEMBLCHEMBL1234765
DrugBank
ZINC
PDB chain1aom Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aom Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y25 H388
Binding residue
(residue number reindexed from 1)		Y17 H380
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C65 C68 H69 M106 H345 H388
Catalytic site (residue number reindexed from 1) C57 C60 H61 M98 H337 H380
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
1.7.99.1: hydroxylamine reductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0050421 nitrite reductase (NO-forming) activity
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:1aom, PDBe:1aom, PDBj:1aom
PDBsum1aom
PubMed9311786
UniProtP72181|NIRS_PARPN Nitrite reductase (Gene Name=nirS)

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