4KH2

Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Alpha-L-iduronidase	polymer	627	70053.3	2	UniProt (P35475) Pfam (PF01229) Pfam (PF21200) In PDB	Homo sapiens (human)
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	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
4	F	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1559.4	1	In PDB GlyTouCan (G83161QT)
5	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	A, B	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
7	A, B	2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid	non-polymer		180.1	2	Chemie (FIF)
8	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
9	B	L(+)-TARTARIC ACID	non-polymer		150.1	1	Chemie (TLA)
10	B	S,R MESO-TARTARIC ACID	non-polymer		150.1	1	Chemie (SRT)
11		water	water		18.0	223	Chemie (HOH)

Sequence modifications

A, B: 27 - 653 (UniProt: P35475)

PDB	External Database	Details
Gln 33	His 33	SEE REMARK 999
Pro 63	Gln 63	SEE REMARK 999
Gln 105	Arg 105	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	140106.6
Branched	Number of molecules	4
	Total formula weight	3319.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1726.3
All*	Total formula weight	145152.0

*Water molecules are not included.