5G3R

Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc

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)	Beta-hexosaminidase	polymer	352	38317.7	2	UniProt (Q9HZK0) Pfam (PF00933)	Pseudomonas aeruginosa PAO1	Beta-N-acetylhexosaminidase,N-acetyl-beta-glucosaminidase
2	C, G (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
3	D, H (A, B)	2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide	non-polymer		345.3	2	Chemie (89A)
4	E, F (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	I, J (A, B)	water	water		18.0	253	Chemie (HOH)

Sequence modifications

A, B: 1 - 332 (UniProt: Q9HZK0)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76635.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1345.4
All*	Total formula weight	77980.7

*Water molecules are not included.