5LY7

Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin

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	38250.6	2	UniProt (Q9HZK0) Pfam (PF00933)	Pseudomonas aeruginosa	Beta-N-acetylhexosaminidase,N-acetyl-beta-glucosaminidase
2	C, E (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG) PubChem (8117)
3	D, F (A, B)	2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN	non-polymer		204.2	2	Chemie (NOK) PubChem (46779888) PubChem (70882343) PubChem (71299564) PubChem (71747145) PubChem (92302456) PubChem (118375182) PubChem (118652150) PubChem (126969162) PubChem (129213115) PubChem (129213116) PubChem (138107268) PubChem (173024811) PubChem (122617) PubChem (452004) PubChem (3448884) PubChem (11287174) PubChem (14369132) PubChem (14369133)
4	G, H (A, B)	water	water		18.0	15	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
Ala 174	His 174	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76501.2
Non-Polymers*	Number of molecules	4
	Total formula weight	620.7
All*	Total formula weight	77121.9

*Water molecules are not included.