5KKY

Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Sialidase A	polymer	496	55634.0	2	UniProt (P62575) Pfam (PF13088) In PDB	Streptococcus pneumoniae	Neuraminidase A
2	A, B	5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid	non-polymer		320.3	2	Chemie (6UD)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4		water	water		18.0	682	Chemie (HOH)

Sequence modifications

A, B: 303 - 777 (UniProt: P62575)

PDB	External Database	Details
Met 282	-	initiating methionine
Gly 283	-	expression tag
Ser 284	-	expression tag
Ser 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
Ser 292	-	expression tag
Ser 293	-	expression tag
Gly 294	-	expression tag
Leu 295	-	expression tag
Val 296	-	expression tag
Pro 297	-	expression tag
Arg 298	-	expression tag
Gly 299	-	expression tag
Ser 300	-	expression tag
His 301	-	expression tag
Met 302	-	expression tag
Asn 322	Lys 337	conflict
Asp 497	Asn 512	conflict
Asp 584	Asn 599	conflict
Val 591	Ile 606	conflict
Glu 772	Asp 787	conflict
Asn 777	Asp 792	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111268.1
Non-Polymers*	Number of molecules	4
	Total formula weight	711.5
All*	Total formula weight	111979.6

*Water molecules are not included.