Structure of PDB 4n4k Chain A Binding Site BS09

Receptor Information
>4n4k Chain A (length=497) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTFQDVASQVFGQPVGPDNDGTLYIFGLTAKYTEPEYVDGRGPYKSFLK
MLPSIRWYDPEHYWTNGSQTEGVFKNEECVLCHTVQTPTIVNDWKQSSHG
SKDIRRGIGIKKDGKPVEDLVGCADCHGNNHQKLEMPTYKLCNDCHPKET
AEHRAGGLGSHTHAYTVNVLEFSWHVGKPAEEVTGCAHCHAIAENRCSGC
HTRHKFDPAEARKPTACRVCHMGIDHDEWAMYNTSIHGALYEAESARMDW
GKKLKKGNYRVPTCAYCHMQNGDHNPQRFGTIYSDMGMFQVDRGAPKHKA
KRDSWIKLCQDCHSPRFAADKLKEMDAGVNLSFTKWREAAAVIVGCYLDG
VVDPMPEGSAPDWYGHYTFSLLPGGDPRFYATSNLERLGLEMICYLTGNV
YKAYAHMSMYNQTYGNGSAFEQDRKLVEIKTEAAKLRRFAAIEKKIGLEH
KSADFWKHGEYLDLLPGWKRKPGDVDVEWFKRTDIPHRANADAGVEI
Ligand information
Ligand IDHOA
InChIInChI=1S/H3NO/c1-2/h2H,1H2
InChIKeyAVXURJPOCDRRFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		NO
ACDLabs 10.04ON
FormulaH3 N O
NameHYDROXYAMINE
ChEMBLCHEMBL1191361
DrugBank
ZINC
PDB chain4n4k Chain A Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4n4k Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D262 H263
Binding residue
(residue number reindexed from 1)		D225 H226
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H227 D262 H263 Y451
Catalytic site (residue number reindexed from 1) H190 D225 H226 Y414
Enzyme Commision number 1.7.2.9: hydroxylamine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0033740 hydroxylamine oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006809 nitric oxide biosynthetic process
GO:0019331 anaerobic respiration, using ammonium as electron donor
GO:0070207 protein homotrimerization
Cellular Component
GO:0044222 anammoxosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4n4k, PDBe:4n4k, PDBj:4n4k
PDBsum4n4k
PubMed24302732
UniProtQ1PX48|HAO_KUEST Hydroxylamine oxidoreductase (Gene Name=hao)

[Back to BioLiP]