Structure of PDB 3wfd Chain B Binding Site BS04

Receptor Information
>3wfd Chain B (length=449) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FASQAVAKPYFVFALILFVGQILFGLIMGLQYVVGDFLFPAIPFNVARMV
HTNLLIVWLLFGFMGAAYYLVPEESDCELYSPKLAWILFWVFAAAGVLTI
LGYLLVPYAGLARLTGNELWPTMGREFLEQPTISKAGIVIVALGFLFNVG
MTVLRGRKTAISMVLMTGLIGLALLFLFSFYNPENLTRDKFYWWWVVHLW
VEGVWELIMGAILAFVLVKITGVDREVIEKWLYVIIAMALISGIIGTGHH
YFWIGVPGYWLWLGSVFSALEPLPFFAMVLFAFNTINRRRRDYPNRAVAL
WAMGTTVMAFLGAGVWGFMHTLAPVNYYTHGTQLTAAHGHMAFYGAYAMI
VMTIISYAMPRLRGIGEAMDNRSQVLEMWGFWLMTVAMVFITLFLSAAGV
LQVWLQRMPADGAAMTFMATQDQLAIFYWLREGAGVVFLIGLVAYLLSF
Ligand information
Ligand IDAXO
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
InChIKeyFZENGILVLUJGJX-NSCUHMNNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		C/C=N/O
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC=NO
ACDLabs 12.01N(/O)=C\C
FormulaC2 H5 N O
Name(1E)-N-hydroxyethanimine;
Acetaldoxime
ChEMBL
DrugBank
ZINCZINC000100006104
PDB chain3wfd Chain B Residue 804 [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]
PDB3wfd Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E211 H258 H259
Binding residue
(residue number reindexed from 1)		E202 H249 H250
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.5: nitric-oxide reductase (cytochrome c).
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0016491 oxidoreductase activity
GO:0016966 nitric oxide reductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0019333 denitrification pathway
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3wfd, PDBe:3wfd, PDBj:3wfd
PDBsum3wfd
PubMed24338896
UniProtQ59647|NORB_PSEAE Nitric oxide reductase subunit B (Gene Name=norB)

[Back to BioLiP]