7A5X

Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Sialidase A	polymer	498	56141.6	2	UniProt (P62575) Pfam (PF13088)	Streptococcus pneumoniae	Neuraminidase A
2	C, G (A, B)	(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid	non-polymer		462.5	2	Chemie (R7H)
3	D, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E, I, J, K (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
5	F, L (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	M, N (A, B)	water	water		18.0	746	Chemie (HOH)

Sequence modifications

A, B: 303 - 776 (UniProt: P62575)

PDB	External Database	Details
Met 279	-	initiating methionine
Gly 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
Ser 291	-	expression tag
Ser 292	-	expression tag
Gly 293	-	expression tag
His 294	-	expression tag
Ile 295	-	expression tag
Asp 296	-	expression tag
Asp 297	-	expression tag
Asp 298	-	expression tag
Asp 299	-	expression tag
Lys 300	-	expression tag
His 301	-	expression tag
Met 302	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112283.2
Non-Polymers*	Number of molecules	10
	Total formula weight	1339.1
All*	Total formula weight	113622.3

*Water molecules are not included.