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Receptor Information

>3wfe 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 ID

10M

InChI

InChI=1S/C22H42O10S/c1-2-3-4-5-6-7-8-9-10-33-22-19(29)17(27)20(14(12-24)31-22)32-21-18(28)16(26)15(25)13(11-23)30-21/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1

InChIKey

YZNNXXWNKQOETJ-HYLFJBCQSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
ACDLabs 10.04	S(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.5.0	CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
CACTVS 3.341	CCCCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
CACTVS 3.341	CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Formula

C22 H42 O10 S

Name

decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside;
(2R,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-6-Decylsulfanyl-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, n-Decyl-beta-D-thiomaltoside

PDB chain

3wfe Chain B Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3wfe Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Resolution	2.49 Å
Binding residue (original residue number in PDB)	Y337 M417
Binding residue (residue number reindexed from 1)	Y328 M408
Annotation score	1

Enzyme Commision number

1.7.2.5: nitric-oxide reductase (cytochrome c).

	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

PDB	RCSB:3wfe, PDBe:3wfe, PDBj:3wfe
PDBsum	3wfe
PubMed	24338896
UniProt	Q59647\|NORB_PSEAE Nitric oxide reductase subunit B (Gene Name=norB)

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Structure of PDB 3wfe Chain B Binding Site BS04