Structure of PDB 4dgr Chain A

Receptor sequence
>4dgrA (length=389) Species: 384509 (Influenza A virus (A/tern/Australia/G70C/1975(H11N9))) [Search protein sequence]
IRDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECR
FYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWS
STSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESE
CVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECS
CYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPN
DPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVP
NALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRG
RPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
3D structure
PDB4dgr Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking sub-site C6.
ChainA
Resolution1.551 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D151 E277 R292 R371 Y406
Catalytic site (residue number reindexed from 1) D71 E198 R213 R291 Y325
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 GLC A H144 N146 H64 N66
BS02 BGC A Q315 C318 N338 T384 Q236 C239 N258 T304
BS03 BGC A S145 W438 F467 S65 W359 F388
BS04 3LV A R118 E119 D151 R152 W178 I222 R224 E227 E277 R292 R371 Y406 R38 E39 D71 R72 W99 I143 R145 E148 E198 R213 R291 Y325 MOAD: ic50=9.1uM
PDBbind-CN: -logKd/Ki=5.04,IC50=9.1uM
BS05 CA A D293 G297 D324 N347 D214 G218 D245 N267
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0046761 viral budding from plasma membrane
Cellular Component
GO:0016020 membrane
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dgr, PDBe:4dgr, PDBj:4dgr
PDBsum4dgr
PubMed22559154
UniProtP03472|NRAM_I75A5 Neuraminidase (Gene Name=NA)

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