9PIB

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with fusion inhibitor CLIPS peptide CP121132 (CP-S1)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Hemagglutinin	polymer	326	36650.3	4	UniProt (P03452) Pfam (PF00509)	Influenza A virus (A/Puerto Rico/8/1934(H1N1))
2	B, D, F, H (B, D, F, H)	Hemagglutinin HA2 chain	polymer	176	20138.4	4	UniProt (P03452) Pfam (PF00509)	Influenza A virus (A/Puerto Rico/8/1934(H1N1))
3	I, J, K, L (N, O, P, Q)	CLIPS peptide CP121132	polymer	13	1447.7	4		synthetic construct
4	M (J)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
5	N, P (I, L)	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G11971MR)
6	O, Q (K, M)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
7	BA, DA, GA, R, V... (F, G, H, A, C...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
8	AA, CA, FA, IA, JA... (E, F, G, N, A...)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	10	Chemie (PEG) PubChem (8117)
9	EA (G)	alpha-L-fucopyranose	non-polymer		164.2	1	Chemie (FUC)
10	HA, KA, LA, MA (N, O, P, Q)	1,3,5-trimethylbenzene	non-polymer		120.2	4	Chemie (SEZ) PubChem (7947)
11	NA, OA, PA, QA, RA... (A, B, C, D, E...)	water	water		18.0	928	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	232945.7
Branched	Number of molecules	5
	Total formula weight	2560.4
Non-Polymers*	Number of molecules	22
	Total formula weight	3254.6
All*	Total formula weight	238760.7

*Water molecules are not included.