7W1E

Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in complex with products

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	K1 LYASE	polymer	671	72130.6	6	UniProt (A0A068Q5Q5) In PDB	Klebsiella phage NTUH-K2044-K1-1
2	G, H, I, J, K...	3-O-acetyl-6-deoxy-alpha-L-galactopyranose-(1-3)-beta-D-glucopyranose	branched		368.3	10	In PDB
3	C, D, E, A, F...	IMIDAZOLE	non-polymer		69.1	8	Chemie (IMD)
4	B, C, D, E, A...	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
5	B, C, D, E, A...	2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid	non-polymer		230.2	10	Chemie (98X)
6		water	water		18.0	4887	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 651 (UniProt: A0A068Q5Q5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Thr 213	Ala 213	conflict
Ile 256	Ser 256	conflict
Ala 391	Asp 391	engineered mutation
Ala 392	Asp 392	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	432783.8
Branched	Number of molecules	10
	Total formula weight	3683.3
Non-Polymers*	Number of molecules	32
	Total formula weight	4143.7
All*	Total formula weight	440610.8

*Water molecules are not included.