9RZP

Recombinant human butyrylcholinesterase in complex with 2-(3-(1H-indol-3-yl)propyl)-1,2,3,4-tetrahydroisoquinoline

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)	Cholinesterase	polymer	530	59784.6	1	UniProt (P06276)	Homo sapiens (human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	B, C, E (B, C, E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB
3	D, F (D, F)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	2	In PDB
4	G, K (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	H, L (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	I (A)	2-[3-(1~{H}-indol-3-yl)propyl]-3,4-dihydro-1~{H}-isoquinoline	non-polymer		290.4	1	Chemie (A1JJ9)
7	J (A)	PROPANOIC ACID	non-polymer		74.1	1	Chemie (PPI)
8	M, N, O, P, Q... (A)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
9	V (A)	water	water		18.0	92	Chemie (HOH)

Sequence modifications

A: 1 - 529 (UniProt: P06276)

PDB	External Database	Details
Gln 17	Asn 45	engineered mutation
Gln 455	Asn 483	engineered mutation
Gln 481	Asn 509	engineered mutation
Gln 486	Asn 514	engineered mutation
Ala 530	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	59784.6
Branched	Number of molecules	5
	Total formula weight	2446.3
Non-Polymers*	Number of molecules	15
	Total formula weight	1855.7
All*	Total formula weight	64086.6

*Water molecules are not included.