5G5K

Crystal structure of NagZ 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	38317.7	2	UniProt (Q9HZK0) Pfam (PF00933)	PSEUDOMONAS AERUGINOSA	BETA-N-ACETYLHEXOSAMINIDASE, N-ACETYL-BETA-GLUCOSAMINIDASE, NAGZ
2	C, D (A, B)	2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN	non-polymer		204.2	2	Chemie (NOK) PubChem (122617) PubChem (46779888) PubChem (70882343) PubChem (71299564) PubChem (71747145) PubChem (452004) PubChem (3448884) PubChem (92302456) PubChem (118375182) PubChem (118652150) PubChem (11287174) PubChem (14369132) PubChem (14369133) PubChem (126969162) PubChem (129213115) PubChem (129213116) PubChem (138107268) PubChem (173024811)
3	E, F (A, B)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -20	-	expression tag
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	2
	Total formula weight	408.4
All*	Total formula weight	77043.8

*Water molecules are not included.