4YZ2

Crystal Structure of Streptococcus pneumoniae NanC, in complex with 2-deoxy-2,3-didehydro-N-acetylneuraminic acid.

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 NanC	polymer	677	75996.8	2	UniProt (Q97Q99) Pfam (PF02973) Pfam (PF02012) Pfam (PF13088) UniProt (by SIFTS) (A0A0H2UQE4)	Streptococcus pneumoniae
2	C, I (A, B)	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	non-polymer		291.3	2	Chemie (DAN) PubChem (1553) PubChem (44299597) PubChem (44305374) PubChem (44314809) PubChem (44353094) PubChem (44387099) PubChem (44629965) PubChem (65309) PubChem (49819354) PubChem (196123) PubChem (57673682) PubChem (440392) PubChem (50986297) PubChem (71299570) PubChem (71312796) PubChem (492456) PubChem (68019401) PubChem (5329058) PubChem (93616863) PubChem (101008065) PubChem (102094437) PubChem (13728878) PubChem (15956564) PubChem (132002898) PubChem (133688885)
3	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
4	O, P (A, B)	water	water		18.0	907	Chemie (HOH)

Sequence modifications

A, B: 84 - 740 (UniProt: Q97Q99)

PDB	External Database	Details
Met 64	-	initiating methionine
Ala 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag
His 71	-	expression tag
Ser 72	-	expression tag
Ser 73	-	expression tag
Gly 74	-	expression tag
Leu 75	-	expression tag
Glu 76	-	expression tag
Val 77	-	expression tag
Leu 78	-	expression tag
Phe 79	-	expression tag
Gln 80	-	expression tag
Gly 81	-	expression tag
Pro 82	-	expression tag
Asn 83	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	151993.7
Non-Polymers*	Number of molecules	12
	Total formula weight	1543.1
All*	Total formula weight	153536.8

*Water molecules are not included.