Het-PDB Navi2 (PDB: 5W2U)

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Ligands
Code	Name	Link
9S4	(2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid	PoSSuM
CA	Calcium ion	PoSSuM
9SJ	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid	PoSSuM
9SM	(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid	PoSSuM

Non-standard Residues
Code	Name	Show

Glycosylation
Code	Name	Emphasize
BMA	Beta-D-mannopyranose
MAN	Alpha-D-mannopyranose
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose

Modification
Code	Name	Show

Download interaction data: 5W2U

Code :

5W2U PDBj RCSB PDB PDBe

Header :

hydrolase/hydrolase inhibitor

Title :

INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID

Release Data :

2018-02-21

Compound :

mol_id	molecule	chains
1	Neuraminidase	A
	ec: 3.2.1.18 fragment: UNP RESIDUES 82-469

Source :

mol_id	organism_scientific	expression_system
1	Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9) (taxid:384509)	Trichoplusia ni (taxid:7111)
	strain: A/Tern/Australia/G70C/1975 H11N9 gene: NA expression_system_cell_line: HIGH FIVE expression_system_vector_type: BACULOVIRUS

Authors :

Streltsov, V.A., Mckimm-Breschkin, J., Barrett, S., Pilling, P., Hader, S., Watt, A.G.

Keywords :

INFLUENZA VIRUS NEURAMINIDASE, N9, COMPLEX, 7-deoxy 2, 3-DIFLUOROSIALIC ACID, SECOND BINDING SITE, HYDROLASE, hydrolase-hydrolase inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 2.00 Å )

Citation :

Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.

McKimm-Breschkin, J.L.,Barrett, S.,Pilling, P.A. et al.
(2018) J. Med. Chem. 61 : 1921 - 1933

Chain :

UniProt :

P03472 (NRAM_I75A5)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Hydrolysis of alpha-(2->3)-, alpha-(2->6)-, alpha- (2->8)- glycosidic linkages of terminal sialic acid residues in oligosaccharides, glycoproteins, glycolipids, colominic acid and synthetic substrates.	3.2.1.18	HAMAP-Rule:MF_04071, PubMed:23429702
	-	HAMAP-Rule:MF_04071, PubMed:23429702
Cofactor:	Evidence:	Note:
Ca(2+)	ECO:0000255 \| HAMAP-Rule:MF_04071 ECO:0000269 \| PubMed:23429702 ECO:0000269 \| PubMed:7549872 ECO:0000269 \| PubMed:8371267 ECO:0000269 \| PubMed:9342319	Binds 1 Ca(2+) ion per subunit.

PDB ID: 5W2U