5NR8

Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Chitotriosidase-1	polymer	377	42224.3	1	UniProt (Q13231) Pfam (PF00704) In PDB	Homo sapiens (Human)	Chitinase-1
2	A	1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine	non-polymer		379.3	1	Chemie (95N)
3	A	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
4		water	water		18.0	222	Chemie (HOH)

Sequence modifications

A: 22 - 387 (UniProt: Q13231)

PDB	External Database	Details
Val 388	-	expression tag
Pro 389	-	expression tag
Arg 390	-	expression tag
Gly 391	-	expression tag
Ser 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42224.3
Non-Polymers*	Number of molecules	7
	Total formula weight	931.9
All*	Total formula weight	43156.2

*Water molecules are not included.