6MHM

Crystal structure of human acid ceramidase in covalent complex with carmofur

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Acid ceramidase subunit alpha	polymer	131	15079.5	2	UniProt (Q13510) Pfam (PF15508)	Homo sapiens (Human)	Acid CDase,Acylsphingosine deacylase,N-acylsphingosine amidohydrolase,Putative 32 kDa heart protein,PHP32
2	B, D (B, D)	Acid ceramidase subunit beta	polymer	253	28993.1	2	UniProt (Q13510) Pfam (PF02275)	Homo sapiens (Human)	Acid CDase,Acylsphingosine deacylase,N-acylsphingosine amidohydrolase,Putative 32 kDa heart protein,PHP32
3	E, G (E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	2	In PDB BIRD (PRD_900017) GlyTouCan (G47362BJ)		triacetyl-beta-chitotriose
4	F, H (F, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
5	I, J, K, N, O... (A, B, C, D)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
6	L, T, U (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
7	M, V (B, D)	hexylcarbamic acid	non-polymer		145.2	2	Chemie (JRY)
8	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, C: 22 - 142 (UniProt: Q13510)

PDB	External Database	Details
Asp 12	-	expression tag
Arg 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Lys 20	-	expression tag
Leu 21	-	expression tag
Met 72	Val 72	variant
Val 93	Ile 93	variant

B, D: 143 - 395 (UniProt: Q13510)

PDB	External Database	Details
Ala 246	Val 246	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	88145.2
Branched	Number of molecules	4
	Total formula weight	2104.0
Non-Polymers*	Number of molecules	18
	Total formula weight	2202.8
All*	Total formula weight	92452.0

*Water molecules are not included.