8K9R

Cryo EM structure of the products-bound PGAP1(Bst1)-H443N from Chaetomium thermophilum

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	GPI inositol-deacylase,MCherry protein	polymer	1447	161337.5	1	UniProt (G0S652) UniProt (A0A366VY15) Pfam (PF07819)	Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719) (Thermochaetoides thermophila)
2	B (B)	Green fluorescent protein,Complement decay-accelerating factor	polymer	272	29894.2	1	UniProt (P08174)	synthetic construct
3	C, D (A)	alpha-D-mannopyranose	non-polymer		180.2	2	Chemie (MAN)
4	E (A)	2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate	non-polymer		303.2	1	Chemie (05E)
5	F (A)	2-amino-2-deoxy-alpha-D-glucopyranose	non-polymer		179.2	1	Chemie (PA1)
6	G (A)	[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate	non-polymer		853.2	1	Chemie (L9H)
7	H (A)	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)
8	I (A)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
9	J (B)	2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate	non-polymer		303.2	1	Chemie (80Y)

Sequence modifications

A: 2 - 1184 (UniProt: G0S652)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag
Ser 1	-	expression tag
Asn 443	His 443	engineered mutation
Gly 1185	-	linker
Thr 1186	-	linker
Leu 1187	-	linker
Glu 1188	-	linker
Val 1189	-	linker
Leu 1190	-	linker
Phe 1191	-	linker
Gln 1192	-	linker
Gly 1193	-	linker
Pro 1194	-	linker
Lys 1195	-	linker
Leu 1196	-	linker
Glu 1197	-	linker
Phe 1198	-	linker

A: 1199 - 1433 (UniProt: A0A366VY15)

PDB	External Database	Details
Ser 1345	Trp 148	engineered mutation
Val 1363	Ile 166	engineered mutation
Tyr 1365	Gln 168	engineered mutation
Arg 1399	Ile 202	engineered mutation
Ser 1434	-	expression tag
Ala 1435	-	expression tag
His 1436	-	expression tag
His 1437	-	expression tag
His 1438	-	expression tag
His 1439	-	expression tag
His 1440	-	expression tag
His 1441	-	expression tag
His 1442	-	expression tag
His 1443	-	expression tag
His 1444	-	expression tag
His 1445	-	expression tag

B: -267 - -5 (PDB: 8K9R)
B: -4 - 4 (UniProt: P08174)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	191231.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2642.1
All*	Total formula weight	193873.8

*Water molecules are not included.