6R6W

Structure of recombinant human butyrylcholinesterase in complex with a fluorescent NBD-based probe

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	526	59354.2	1	UniProt (P06276) Pfam (PF00135)	Homo sapiens (Human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	B (B)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
3	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
4	E, F, G (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
5	H (A)	[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium	non-polymer		672.8	1	Chemie (JUB)
6	I (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	J, K, L, M, N (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
8	O (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
9	P (A)	water	water		18.0	91	Chemie (HOH)

Sequence modifications

A: 4 - 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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	59354.2
Branched	Number of molecules	3
	Total formula weight	1508.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1987.0
All*	Total formula weight	62849.6

*Water molecules are not included.