1A4Q: Influenza virus B/BEIJING/1/87 neuraminidase

Influenza virus B/BEIJING/1/87 neuraminidase complexed with dihydropyran-phenethyl-propyl-carboxamide. Determined by X-ray diffraction at 1.9 Å resolution. Released 2 Mar 1999.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Influenza B virus (STRAIN B/BEIJING/1/87)
Chains: 2
Atoms: 6,656
Mol. weight: 88.2 kDa
Ligands: NAG, CA, DPC
Released: 2 Mar 1999

Explore 1A4Q in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1A4Q contains 13 α-helices and 65 β-strands across 2 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.

Chain A: 7 helices, 31 β-strands

Element	Residues	Length	Sheet
α-helix	78-80	3
α-helix	84	1
β-strand	85	1	1
α-helix	86	1
β-strand	91-97	7	1
α-helix	99-102	4
β-strand	111	1	2
β-strand	112-121	10	3
β-strand	126-136	11	3
β-strand	154-159	6	3
β-strand	165	1	2
β-strand	170-174	5	3
β-strand	177-182	6	4
β-strand	187-193	7	4
α-helix	196-198	3
β-strand	200-205	6	4
β-strand	208-214	7	4
β-strand	222-223	2	5
β-strand	229-231	3	5
β-strand	234-240	7	5
β-strand	248	1	6
β-strand	251-256	6	5
β-strand	259-264	6	5
β-strand	267-268	2	7
β-strand	272	1	6
β-strand	274-280	7	7
β-strand	285-291	7	7
α-helix	299	1
β-strand	300-305	6	7
β-strand	310-315	6	7
β-strand	351-355	5	8
β-strand	360-366	7	8
β-strand	374-382	9	8
α-helix	391-393	3
β-strand	394-405	12	8
β-strand	409-415	7	1
β-strand	420-430	11	1
β-strand	439-447	9	1

Chain B: 6 helices, 34 β-strands

Element	Residues	Length	Sheet
α-helix	84	1
β-strand	85	1	9
α-helix	86	1
β-strand	91-97	7	9
α-helix	99-102	4
β-strand	111	1	10
β-strand	112-121	10	11
β-strand	126-136	11	11
β-strand	154-159	6	11
β-strand	160	1	12
β-strand	162	1	12
β-strand	165	1	10
β-strand	170-174	5	11
β-strand	177-182	6	13
β-strand	187-193	7	13
α-helix	196-198	3
β-strand	200-205	6	13
β-strand	208-214	7	13
β-strand	222-223	2	14
β-strand	229-231	3	14
β-strand	234-240	7	14
β-strand	242	1	15
β-strand	248	1	15
β-strand	251-256	6	14
β-strand	259-264	6	14
β-strand	267-268	2	16
β-strand	272	1	15
β-strand	274-280	7	16
β-strand	285-291	7	16
α-helix	299	1
β-strand	300-305	6	16
β-strand	310-315	6	16
β-strand	351-355	5	17
β-strand	360-366	7	17
β-strand	374-382	9	17
α-helix	392-393	2
β-strand	394-405	12	17
β-strand	409-415	7	9
β-strand	420-430	11	9
β-strand	439-447	9	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Neuraminidase	A, B	protein	390	Influenza B virus (STRAIN B/BEIJING/1/87)	P27907

Sequence of entity 1 (A, B), FASTA

>1A4Q_1 NEURAMINIDASE (chains A, B)
EPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKECKHFALTHYA
AQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGP
DSNALIKIKYGEAYTDTYHSYANNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKI
REGRIIKEIFPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRL
MCTETYLDTPRPDDGSITGPCESNGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMG
MELYVRYDGDPWTDSDALAHSGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKK
TWHSAATAIYCLMGSGQLLWDTVTGVDMAL

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	2
CA	Calcium ion	Ca	3
DPC	5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-car…	C20 H27 N3 O5	2

Primary citation

Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. Taylor, N.R., Cleasby, A., Singh, O. et al. J Med Chem (1998) 41:798-807. DOI 10.1021/jm9703754 · PubMed

Other PDB entries of the same protein (UniProt P27907), best resolution first:

1NSC 1.7 Å, Influenza B virus neuraminidase can synthesize its own inhibitor
1NSD 1.8 Å, Influenza B virus neuraminidase can synthesize its own inhibitor
1A4G 2.2 Å, Influenza virus B/BEIJING/1/87 neuraminidase complexed with zanamivir
1NSB 2.2 Å, The 2.2 Å resolution crystal structure of influenza B neuraminidase and its complex with…

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