5Z5O

Structure of Pycnonodysostosis disease related I249T mutant of human cathepsin K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cathepsin K	polymer	335	37786.5	1	UniProt (P43235) Pfam (PF08246) Pfam (PF00112) In PDB	Homo sapiens (Human)	Cathepsin O,Cathepsin O2,Cathepsin X
2	B	Cathepsin K	polymer	94	11152.6	1	UniProt (P43235) Pfam (PF08246) In PDB	Homo sapiens (Human)	Cathepsin O,Cathepsin O2,Cathepsin X
3	A, B	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
4	B, A	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
5	B, A	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
7	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
10		water	water		18.0	206	Chemie (HOH)

Sequence modifications

A: 1 - 314 (UniProt: P43235)

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
Met 0	-	expression tag
Ser 124	Cys 139	engineered mutation
Thr 234	Ile 249	engineered mutation

B: 1 - 73 (UniProt: P43235)

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
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48939.1
Non-Polymers*	Number of molecules	41
	Total formula weight	3366.0
All*	Total formula weight	52305.0

*Water molecules are not included.