1NMA

N9 NEURAMINIDASE COMPLEXES WITH ANTIBODIES NC41 AND NC10: EMPIRICAL FREE-ENERGY CALCULATIONS CAPTURE SPECIFICITY TRENDS OBSERVED WITH MUTANT BINDING DATA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	N	N9 NEURAMINIDASE	polymer	388	43640.5	1	UniProt (P05803) Pfam (PF00064) In PDB	Influenza A virus
2	L	FAB NC10	polymer	109	12129.3	1	GenBank (501094)	Mus musculus (house mouse)
3	H	FAB NC10	polymer	122	13424.7	1	GenBank (501094)	Mus musculus (house mouse)
4	A	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G01760ZU)
5	N	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

N: 82 - 468 (UniProt: P05803)

PDB	External Database	Details
Lys 387	Arg 388	conflict
Arg 389	Lys 390	conflict

L: 1 - 107 (GenBank: 501094)

PDB	External Database	Details
Gln 3	Glu 161	conflict
Met 4	Leu 162	conflict

H: 2 - 112 (GenBank: 501094)

PDB	External Database	Details
Pro 7	Ser 29	conflict
Leu 109	Val 140	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	69194.5
Branched	Number of molecules	1
	Total formula weight	1073.0
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	70488.7

*Water molecules are not included.