4WGK

Crystal structure of human neutral ceramidase with Zn-bound phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Neutral ceramidase	polymer	688	75980.6	2	UniProt (Q9NR71) Pfam (PF04734) Pfam (PF17048) In PDB	Homo sapiens (Human)	NCDase, Acylsphingosine deacylase 2, BCDase, LCDase, hCD, N-acylsphingosine amidohydrolase 2, Non-lysosomal ceramidase
2	C, E	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
7	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
8	A, B	CITRIC ACID	non-polymer		192.1	4	Chemie (CIT)
9	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
11		water	water		18.0	494	Chemie (HOH)

Sequence modifications

A, B: 99 - 780 (UniProt: Q9NR71)

PDB	External Database	Details
His 781	-	expression tag
His 782	-	expression tag
His 783	-	expression tag
His 784	-	expression tag
His 785	-	expression tag
His 786	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	151961.2
Branched	Number of molecules	3
	Total formula weight	1435.3
Non-Polymers*	Number of molecules	18
	Total formula weight	2435.0
All*	Total formula weight	155831.6

*Water molecules are not included.