6R61

Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Major aspartyl peptidase 1	polymer	436	46764.4	1	UniProt (J9VS02)	Cryptococcus neoformans	Aspartic protease,Aspartyl endopeptidase May1,Endopeptidase
2	B (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	C, D, E, F (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
4	G (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
5	H (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	I, J (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
7	K (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	L (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	M (A)	(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-3-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione	non-polymer		564.8	1	Chemie (A1IY5)
10	N (A)	water	water		18.0	191	Chemie (HOH)

Sequence modifications

A: -62 - 355 (UniProt: J9VS02)

PDB	External Database	Details
Ala 356	-	expression tag
Ala 357	-	expression tag
Ala 358	-	expression tag
Gly 359	-	expression tag
Leu 360	-	expression tag
Asn 361	-	expression tag
Asp 362	-	expression tag
Ile 363	-	expression tag
Phe 364	-	expression tag
Glu 365	-	expression tag
Ala 366	-	expression tag
Gln 367	-	expression tag
Lys 368	-	expression tag
Ile 369	-	expression tag
Glu 370	-	expression tag
Trp 371	-	expression tag
His 372	-	expression tag
Glu 373	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46764.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1770.5
All*	Total formula weight	48959.2

*Water molecules are not included.