3CL2: N1 Neuraminidase N294S + Oseltamivir

N1 Neuraminidase N294S + Oseltamivir. Determined by X-ray diffraction at 2.54 Å resolution. Released 20 May 2008.

Method: X-ray diffraction
Resolution: 2.54 Å
Organism: Influenza A virus
Chains: 8
Atoms: 23,840
Mol. weight: 339.54 kDa
Ligands: G39
Released: 20 May 2008

Explore 3CL2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3CL2 contains 73 α-helices and 216 β-strands across 8 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chains A, B and H: 9 helices, 27 β-strands

Element	Residues	Length	Sheet
α-helix	84-86	3
α-helix	90	1
β-strand	91	1	1
α-helix	92-93	2
β-strand	98-102	5	2
α-helix	105-109	5
β-strand	115-124	10	3
β-strand	129-139	11	3
α-helix	143-145	3
β-strand	157-162	6	3
α-helix	171	1
β-strand	172-176	5	3
β-strand	179-184	6	4
β-strand	189-195	7	4
β-strand	202-207	6	4
β-strand	210-216	7	4
β-strand	224	1	5
β-strand	231-233	3	5
β-strand	236-243	8	5
β-strand	251-258	8	5
β-strand	261-267	7	5
β-strand	279-283	5	6
β-strand	286-290	5	6
α-helix	300	1
β-strand	301-305	5	6
β-strand	312-316	5	6
α-helix	328-329	2
β-strand	353-356	4	7
β-strand	359-364	6	7
β-strand	372-379	8	7
β-strand	392-403	11	7
β-strand	407-412	6	2
α-helix	412B-413	4
β-strand	418	1	1
β-strand	419-429	11	2
β-strand	439-447	9	2

Chain C: 8 helices, 27 β-strands

Element	Residues	Length	Sheet
α-helix	90	1
β-strand	91	1	15
α-helix	92-93	2
β-strand	98-102	5	16
α-helix	105-108	4
β-strand	115-124	10	17
β-strand	129-139	11	17
α-helix	143-145	3
β-strand	157-162	6	17
α-helix	171	1
β-strand	172-176	5	17
β-strand	179-184	6	18
β-strand	189-195	7	18
β-strand	202-207	6	18
β-strand	210-216	7	18
β-strand	224	1	19
β-strand	231-233	3	19
β-strand	236-243	8	19
β-strand	251-258	8	19
β-strand	261-267	7	19
β-strand	279-283	5	20
β-strand	286-290	5	20
α-helix	300	1
β-strand	301-305	5	20
β-strand	312-316	5	20
α-helix	328-329	2
β-strand	353-356	4	21
β-strand	359-364	6	21
β-strand	372-379	8	21
β-strand	392-403	11	21
β-strand	407-412	6	16
α-helix	412B-413	4
β-strand	418	1	15
β-strand	419-429	11	16
β-strand	439-447	9	16

Chain D: 9 helices, 27 β-strands

Element	Residues	Length	Sheet
α-helix	84-86	3
α-helix	90	1
β-strand	91	1	22
α-helix	92-93	2
β-strand	98-102	5	23
α-helix	105-108	4
β-strand	115-124	10	24
β-strand	129-139	11	24
α-helix	143-145	3
β-strand	157-162	6	24
α-helix	171	1
β-strand	172-176	5	24
β-strand	179-184	6	25
β-strand	189-195	7	25
β-strand	202-207	6	25
β-strand	210-216	7	25
β-strand	224	1	26
β-strand	231-233	3	26
β-strand	236-243	8	26
β-strand	251-258	8	26
β-strand	261-267	7	26
β-strand	279-283	5	27
β-strand	286-290	5	27
α-helix	300	1
β-strand	301-305	5	27
β-strand	312-316	5	27
α-helix	328-329	2
β-strand	353-356	4	28
β-strand	359-364	6	28
β-strand	372-379	8	28
β-strand	392-403	11	28
β-strand	407-412	6	23
α-helix	412B-413	4
β-strand	418	1	22
β-strand	419-429	11	23
β-strand	439-447	9	23

Chain E: 9 helices, 27 β-strands

Element	Residues	Length	Sheet
α-helix	90	1
β-strand	91	1	29
α-helix	92-93	2
β-strand	98-102	5	30
α-helix	105-108	4
β-strand	115-124	10	31
β-strand	129-139	11	31
α-helix	143-145	3
β-strand	157-162	6	31
α-helix	166-167	2
α-helix	171	1
β-strand	172-176	5	31
β-strand	179-184	6	32
β-strand	189-195	7	32
β-strand	202-207	6	32
β-strand	210-216	7	32
β-strand	224	1	33
β-strand	231-233	3	33
β-strand	236-243	8	33
β-strand	251-258	8	33
β-strand	261-267	7	33
β-strand	279-283	5	34
β-strand	286-290	5	34
α-helix	300	1
β-strand	301-305	5	34
β-strand	312-316	5	34
α-helix	328-329	2
β-strand	353-356	4	35
β-strand	359-364	6	35
β-strand	372-379	8	35
β-strand	392-403	11	35
β-strand	407-412	6	30
α-helix	412B-413	4
β-strand	418	1	29
β-strand	419-429	11	30
β-strand	439-447	9	30

Chains F and G: 10 helices, 27 β-strands

Element	Residues	Length	Sheet
α-helix	84-86	3
α-helix	90	1
β-strand	91	1	36
α-helix	92-93	2
β-strand	98-102	5	37
α-helix	105-109	5
β-strand	115-124	10	38
β-strand	129-139	11	38
α-helix	143-145	3
β-strand	157-162	6	38
α-helix	166-167	2
α-helix	171	1
β-strand	172-176	5	38
β-strand	179-184	6	39
β-strand	189-195	7	39
β-strand	202-207	6	39
β-strand	210-216	7	39
β-strand	224	1	40
β-strand	231-233	3	40
β-strand	236-243	8	40
β-strand	251-258	8	40
β-strand	261-267	7	40
β-strand	279-283	5	41
β-strand	286-290	5	41
α-helix	300	1
β-strand	301-305	5	41
β-strand	312-316	5	41
α-helix	328-329	2
β-strand	353-356	4	42
β-strand	359-364	6	42
β-strand	372-379	8	42
β-strand	392-403	11	42
β-strand	407-412	6	37
α-helix	412B-413	4
β-strand	418	1	36
β-strand	419-429	11	37
β-strand	439-447	9	37

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Neuraminidase	A, B, C, D, E, F, G, H	protein	385	Influenza A virus	Q6DPL2

Sequence of entity 1 (A, B, C, D, E, F, G, H), FASTA

>3CL2_1 Neuraminidase (chains A, B, C, D, E, F, G, H)
VKLAGNSSLCPINGWAVYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLND
KHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSASACHDGTSWLTIGISGPDNGA
VAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFKMEKGK
VVKSVELDAPNYHYEECSCYPNAGEITCVCRDSWHGSNRPWVSFNQNLEYQIGYICSGVF
GDNPRPNDGTGSCGPVSSNGAYGVKGFSFKYGNGVWIGRTKSTNSRSGFEMIWDPNGWTE
TDSSFSVKQDIVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPKESTIWTSGSS
ISFCGVNSDTVGWSWPDGAELPFTI

Ligands and cofactors

ID	Name	Formula	Copies
G39	(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxyli…	C14 H24 N2 O4	8

Primary citation

Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Collins, P.J., Haire, L.F., Lin, Y.P. et al. Nature (2008) 453:1258-1261. DOI 10.1038/nature06956 · PubMed

Other PDB entries of the same protein (UniProt Q6DPL2), best resolution first:

3CKZ 1.9 Å, N1 Neuraminidase H274Y + Zanamivir
3CL0 2.2 Å, N1 Neuraminidase H274Y + oseltamivir
9NJ2 2.4 Å, N1 neuraminidase of influenza A/Vietnam/1203/2004 H5N1 in complex with four FNI9 Fab…
2HTY 2.5 Å, N1 neuraminidase
2HU4 2.5 Å, N1 neuraminidase in complex with oseltamivir 2
2HU0 2.95 Å, N1 neuraminidase in complex with oseltamivir 1

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